{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003326","ANALYSIS_ID":"AN005448","PROJECT_ID":"PR002068","VERSION":"1","CREATED_ON":"July 17, 2024, 8:43 pm"},

"PROJECT":{"PROJECT_TITLE":"Lipidome profiling in non-alcoholic steatohepatitis identifies phosphatidylserine synthase 1 as a regulator of hepatic lipoprotein metabolism","PROJECT_SUMMARY":"This project aimed to investigate the regulation of the hepatic lipidome in mice with non-alcoholic steatohepatitis (NASH) and liver fibrosis, and assess the differences in the hepatic lipidome in mouse strains susceptible or resistant to NASH and metabolic comorbidities. For this purpose, eight mouse strains were fed either a chow control diet or a western-style diet enriched in lipid, carbohydrate and cholesterol for 30-32 weeks, followed by in-depth metabolic phenotyping, assessment of liver pathology and the hepatic lipidome by LC/MS.  This study found that resistance to diet-induced NASH in BALB/c mice was associated with increased hepatic phosphatidylserine (PS) content. Subsequent studies focusing on overexpression of PS synthase 1 (PSS1) in the livers of mice with steatosis or NASH show that increasing hepatic PS is associated with improvements in steatosis and/or inflammation.","INSTITUTE":"University of Melbourne","LAST_NAME":"Montgomery","FIRST_NAME":"Magdalene","ADDRESS":"Corner Grattan Street Royal Parade, Melbourne, Victoria, 3010, Australia","EMAIL":"magdalene.montgomery@unimelb.edu.au","PHONE":"0422059907"},

"STUDY":{"STUDY_TITLE":"Lipidome profiling in non-alcoholic steatohepatitis identifies phosphatidylserine synthase 1 as a regulator of hepatic lipoprotein metabolism","STUDY_SUMMARY":"Non-alcoholic fatty liver disease and more progressive non-alcoholic steatohepatitis (NASH) are characterized by defective lipid metabolism, which causes hepatic steatosis and disease progression. However, the changes in lipid metabolism in NASH are incompletely understood. Using lipidome profiling in livers of eight mouse strains, that differ substantially in susceptibility to NASH and liver fibrosis, as well as in patients with NASH, we show that phosphatidylserine (PS) accumulation and preservation of PS synthase 1 (PSS1) expression is associated with resistance to NASH. Mechanistically, PSS1 overexpression in the liver reduces hepatic steatosis through remodeling of the hepatic and liver-derived VLDL lipidome in mice with NASH. Specifically, we show an increase in VLDL ceramide content that suppresses the expression and activity of lipoprotein lipase (LPL) in skeletal muscle, thereby reducing VLDL-triglyceride clearance, fatty acid uptake and lipid accumulation in skeletal muscle. In addition, remodelling of lipoprotein composition inhibits the LDL receptor in the liver, likely contributing to the reduction in hepatic steatosis. Together, this study provides a unique resource describing lipidome changes in NASH, and identifies PSS1 as a novel regulator of hepatic lipoprotein metabolism.","INSTITUTE":"University of Melbourne","LAST_NAME":"Montgomery","FIRST_NAME":"Magdalene","ADDRESS":"Corner Grattan Street & Royal Parade","EMAIL":"magdalene.montgomery@unimelb.edu.au","PHONE":"0422059907"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090","GENOTYPE_STRAIN":"A/J, BALB/c, C3H/HeJ, C57BL/6J, CBA/CaH, DBA/2J, FVB/NJ and NOD/ShiLtJ mice","AGE_OR_AGE_RANGE":"Mice were fed a low-fat or western-style diet for 30-32 weeks","WEIGHT_OR_WEIGHT_RANGE":"30-45 grams","GENDER":"Male","ANIMAL_ANIMAL_SUPPLIER":"Animal Resources Centre, Canning Vale, Australia","ANIMAL_HOUSING":"Group housing (3-5 mice/cage)","ANIMAL_LIGHT_CYCLE":"12/12 light/dark","ANIMAL_FEED":"low-fat chow or high-fat high-sugar high-cholesterol diet (SF16-033 Specialty Feeds, Australia)","ANIMAL_WATER":"ad libitum water"},
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"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_078n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_079n",
"Factors":{"Mouse Strain":"NOD","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_079n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_080n",
"Factors":{"Mouse Strain":"NOD","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_080n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_081n",
"Factors":{"Mouse Strain":"NOD","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_081n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_082n",
"Factors":{"Mouse Strain":"NOD","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_082n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_083n",
"Factors":{"Mouse Strain":"NOD","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_083n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_084n",
"Factors":{"Mouse Strain":"NOD","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_084n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_085n",
"Factors":{"Mouse Strain":"NOD","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_085n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_086n",
"Factors":{"Mouse Strain":"NOD","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_086n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_087n",
"Factors":{"Mouse Strain":"CBA","Food source":"Chow","Sample source":"Liver"},
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_088n",
"Factors":{"Mouse Strain":"CBA","Food source":"NASH","Sample source":"Liver"},
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_089n",
"Factors":{"Mouse Strain":"CBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_089n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_090n",
"Factors":{"Mouse Strain":"CBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_090n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_091n",
"Factors":{"Mouse Strain":"CBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_091n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_092n",
"Factors":{"Mouse Strain":"CBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_092n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_093n",
"Factors":{"Mouse Strain":"CBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_093n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_094n",
"Factors":{"Mouse Strain":"CBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_094n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_095n",
"Factors":{"Mouse Strain":"CBA","Food source":"Chow","Sample source":"Liver"},
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_096n",
"Factors":{"Mouse Strain":"CBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_096n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_097n",
"Factors":{"Mouse Strain":"CBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_097n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_098n",
"Factors":{"Mouse Strain":"CBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_098n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_099n",
"Factors":{"Mouse Strain":"CBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_099n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_100n",
"Factors":{"Mouse Strain":"CBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_100n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_101n",
"Factors":{"Mouse Strain":"CBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_101n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_102n",
"Factors":{"Mouse Strain":"CBA","Food source":"NASH","Sample source":"Liver"},
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_103n",
"Factors":{"Mouse Strain":"CBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_103n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_104n",
"Factors":{"Mouse Strain":"CBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_104n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_105n",
"Factors":{"Mouse Strain":"CBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_105n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_106n",
"Factors":{"Mouse Strain":"CBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_106n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_107n",
"Factors":{"Mouse Strain":"DBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_107n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_108n",
"Factors":{"Mouse Strain":"DBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_108n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_109n",
"Factors":{"Mouse Strain":"DBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_109n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_110n",
"Factors":{"Mouse Strain":"DBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_110n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_111n",
"Factors":{"Mouse Strain":"DBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_111n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_112n",
"Factors":{"Mouse Strain":"DBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_112n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_113n",
"Factors":{"Mouse Strain":"DBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_113n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_114n",
"Factors":{"Mouse Strain":"DBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_114n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_115n",
"Factors":{"Mouse Strain":"DBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_115n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_116n",
"Factors":{"Mouse Strain":"DBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_116n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_117n",
"Factors":{"Mouse Strain":"DBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_117n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_118n",
"Factors":{"Mouse Strain":"DBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_118n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_120n",
"Factors":{"Mouse Strain":"DBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_120n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_121n",
"Factors":{"Mouse Strain":"DBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_121n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_122n",
"Factors":{"Mouse Strain":"DBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_122n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_123n",
"Factors":{"Mouse Strain":"DBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_123n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_124n",
"Factors":{"Mouse Strain":"DBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_124n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_125n",
"Factors":{"Mouse Strain":"DBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_125n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_126n",
"Factors":{"Mouse Strain":"FVB","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_126n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_127n",
"Factors":{"Mouse Strain":"FVB","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_127n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_128n",
"Factors":{"Mouse Strain":"FVB","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_128n.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_129n",
"Factors":{"Mouse Strain":"FVB","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_129n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_130n",
"Factors":{"Mouse Strain":"FVB","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_130n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_131n",
"Factors":{"Mouse Strain":"FVB","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_131n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_132n",
"Factors":{"Mouse Strain":"FVB","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_132n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_133n",
"Factors":{"Mouse Strain":"FVB","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_133n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_134n",
"Factors":{"Mouse Strain":"FVB","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_134n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_135n",
"Factors":{"Mouse Strain":"FVB","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_135n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_136n",
"Factors":{"Mouse Strain":"FVB","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_136n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_137n",
"Factors":{"Mouse Strain":"FVB","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_137n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_138n",
"Factors":{"Mouse Strain":"FVB","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_138n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_139n",
"Factors":{"Mouse Strain":"FVB","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_139n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_140n",
"Factors":{"Mouse Strain":"FVB","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_140n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_141n",
"Factors":{"Mouse Strain":"FVB","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_141n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_142n",
"Factors":{"Mouse Strain":"FVB","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_142n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_143n",
"Factors":{"Mouse Strain":"FVB","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_143n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_144n",
"Factors":{"Mouse Strain":"FVB","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_144n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_blank1n",
"Factors":{"Mouse Strain":"blank","Food source":"Blank","Sample source":"Blank"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_blan.abfk1n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_blank2n",
"Factors":{"Mouse Strain":"blank","Food source":"Blank","Sample source":"Blank"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_blan.abfk2n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_blank3n",
"Factors":{"Mouse Strain":"blank","Food source":"Blank","Sample source":"Blank"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_blan.abfk3n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_blank4n",
"Factors":{"Mouse Strain":"blank","Food source":"Blank","Sample source":"Blank"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_blan.abfk4n.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_001p",
"Factors":{"Mouse Strain":"BL6","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_001p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_002p",
"Factors":{"Mouse Strain":"BL6","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_002p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_003p",
"Factors":{"Mouse Strain":"BL6","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_003p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_004p",
"Factors":{"Mouse Strain":"BL6","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_004p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_005p",
"Factors":{"Mouse Strain":"BL6","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_005p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_006p",
"Factors":{"Mouse Strain":"BL6","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_006p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_007p",
"Factors":{"Mouse Strain":"BL6","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_007p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_008p",
"Factors":{"Mouse Strain":"BL6","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_008p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_009p",
"Factors":{"Mouse Strain":"BL6","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_009p.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_010p",
"Factors":{"Mouse Strain":"BL6","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_010p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_011p",
"Factors":{"Mouse Strain":"BL6","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_011p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_012p",
"Factors":{"Mouse Strain":"BL6","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_012p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_013p",
"Factors":{"Mouse Strain":"BL6","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_013p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_014p",
"Factors":{"Mouse Strain":"BL6","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_014p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_015p",
"Factors":{"Mouse Strain":"BL6","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_015p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_016p",
"Factors":{"Mouse Strain":"BL6","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_016p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_017p",
"Factors":{"Mouse Strain":"BL6","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_017p.abf"}
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{
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{
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{
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{
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{
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{
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"Sample ID":"210226_Hamze_MM-1835_023p",
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{
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{
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{
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{
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{
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{
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"Sample ID":"210226_Hamze_MM-1835_046p",
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{
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{
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{
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{
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{
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{
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"Sample ID":"210226_Hamze_MM-1835_071p",
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{
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"Sample ID":"210226_Hamze_MM-1835_072p",
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{
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"Sample ID":"210226_Hamze_MM-1835_073p",
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{
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"Sample ID":"210226_Hamze_MM-1835_074p",
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{
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{
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{
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{
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"Sample ID":"210226_Hamze_MM-1835_078p",
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{
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"Sample ID":"210226_Hamze_MM-1835_079p",
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{
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"Sample ID":"210226_Hamze_MM-1835_080p",
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{
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"Sample ID":"210226_Hamze_MM-1835_081p",
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{
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"Sample ID":"210226_Hamze_MM-1835_082p",
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_083p",
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{
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_085p",
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_086p",
"Factors":{"Mouse Strain":"NOD","Food source":"NASH","Sample source":"Liver"},
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_087p",
"Factors":{"Mouse Strain":"CBA","Food source":"Chow","Sample source":"Liver"},
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{
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"Sample ID":"210226_Hamze_MM-1835_088p",
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_089p",
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{
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"Sample ID":"210226_Hamze_MM-1835_090p",
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{
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"Sample ID":"210226_Hamze_MM-1835_091p",
"Factors":{"Mouse Strain":"CBA","Food source":"Chow","Sample source":"Liver"},
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_092p",
"Factors":{"Mouse Strain":"CBA","Food source":"NASH","Sample source":"Liver"},
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_093p",
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_094p",
"Factors":{"Mouse Strain":"CBA","Food source":"NASH","Sample source":"Liver"},
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_095p",
"Factors":{"Mouse Strain":"CBA","Food source":"Chow","Sample source":"Liver"},
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{
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"Sample ID":"210226_Hamze_MM-1835_096p",
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_097p",
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_098p",
"Factors":{"Mouse Strain":"CBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_098p.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_099p",
"Factors":{"Mouse Strain":"CBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_099p.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_100p",
"Factors":{"Mouse Strain":"CBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_100p.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_101p",
"Factors":{"Mouse Strain":"CBA","Food source":"Chow","Sample source":"Liver"},
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_102p",
"Factors":{"Mouse Strain":"CBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_102p.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_103p",
"Factors":{"Mouse Strain":"CBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_103p.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_104p",
"Factors":{"Mouse Strain":"CBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_104p.abf"}
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{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_105p",
"Factors":{"Mouse Strain":"CBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_105p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_106p",
"Factors":{"Mouse Strain":"CBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_106p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_107p",
"Factors":{"Mouse Strain":"DBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_107p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_108p",
"Factors":{"Mouse Strain":"DBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_108p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_109p",
"Factors":{"Mouse Strain":"DBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_109p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_110p",
"Factors":{"Mouse Strain":"DBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_110p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_111p",
"Factors":{"Mouse Strain":"DBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_111p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_112p",
"Factors":{"Mouse Strain":"DBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_112p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_113p",
"Factors":{"Mouse Strain":"DBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_113p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_114p",
"Factors":{"Mouse Strain":"DBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_114p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_115p",
"Factors":{"Mouse Strain":"DBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_115p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_116p",
"Factors":{"Mouse Strain":"DBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_116p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_117p",
"Factors":{"Mouse Strain":"DBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_117p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_118p",
"Factors":{"Mouse Strain":"DBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_118p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_120p",
"Factors":{"Mouse Strain":"DBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_120p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_121p",
"Factors":{"Mouse Strain":"DBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_121p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_122p",
"Factors":{"Mouse Strain":"DBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_122p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_123p",
"Factors":{"Mouse Strain":"DBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_123p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_124p",
"Factors":{"Mouse Strain":"DBA","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_124p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_125p",
"Factors":{"Mouse Strain":"DBA","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_125p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_126p",
"Factors":{"Mouse Strain":"FVB","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_126p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_127p",
"Factors":{"Mouse Strain":"FVB","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_127p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_128p",
"Factors":{"Mouse Strain":"FVB","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_128p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_129p",
"Factors":{"Mouse Strain":"FVB","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_129p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_130p",
"Factors":{"Mouse Strain":"FVB","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_130p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_131p",
"Factors":{"Mouse Strain":"FVB","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_131p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_132p",
"Factors":{"Mouse Strain":"FVB","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_132p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_133p",
"Factors":{"Mouse Strain":"FVB","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_133p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_134p",
"Factors":{"Mouse Strain":"FVB","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_134p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_135p",
"Factors":{"Mouse Strain":"FVB","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_135p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_136p",
"Factors":{"Mouse Strain":"FVB","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_136p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_137p",
"Factors":{"Mouse Strain":"FVB","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_137p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_138p",
"Factors":{"Mouse Strain":"FVB","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_138p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_139p",
"Factors":{"Mouse Strain":"FVB","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_139p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_140p",
"Factors":{"Mouse Strain":"FVB","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_140p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_141p",
"Factors":{"Mouse Strain":"FVB","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_141p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_142p",
"Factors":{"Mouse Strain":"FVB","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_142p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_143p",
"Factors":{"Mouse Strain":"FVB","Food source":"Chow","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_143p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_144p",
"Factors":{"Mouse Strain":"FVB","Food source":"NASH","Sample source":"Liver"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_144p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_blank1p",
"Factors":{"Mouse Strain":"blank","Food source":"Blank","Sample source":"Blank"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_blan.abfk1p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_blank2p",
"Factors":{"Mouse Strain":"blank","Food source":"Blank","Sample source":"Blank"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_blan.abfk2p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_blank3p",
"Factors":{"Mouse Strain":"blank","Food source":"Blank","Sample source":"Blank"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_blan.abfk3p.abf"}
},
{
"Subject ID":"-",
"Sample ID":"210226_Hamze_MM-1835_blank4p",
"Factors":{"Mouse Strain":"blank","Food source":"Blank","Sample source":"Blank"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"210226_Hamze_MM-1835_blan.abfk4p.abf"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"This collection contains data on the liver lipidome across 8 inbred mouse strains fed either a chow control diet or a western-style diet enriched in lipid, carbohydrate and cholesterol. Untargeted lipidomics data available from 144 mice across eight mouse strains and two dietary regimes.","SAMPLE_TYPE":"Liver"},

"TREATMENT":{"TREATMENT_SUMMARY":"For the assessment of mouse strain-dependent variation in the hepatic lipidome, eight-week-old male A/J, BALB/c, C3H/HeJ, C57BL/6J, CBA/CaH, DBA/2J, FVB/NJ and NOD/ShiLtJ mice (Animal Resources Centre, Canning Vale, Australia) were fed either a rodent chow diet (5% energy from fat) or a diet enriched in fat (40% energy from lard), carbohydrate (40% energy from carbohydrates, of this 20% fructose), and 2% cholesterol (SF16-033 Specialty Feeds, Australia) for a total of 30-32 weeks (referred to as NASH diet)."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Lipids from whole liver were extracted using a monophasic extraction protocol. Briefly, 5-10 mg of liver was homogenized using a Precellys tissue homogenizer in 100 µL 1:1 butanol-methanol, containing 5 µL of SPLASH® II LIPIDOMIX® Mass Spec Standard (part no. 330709W, Avanti Polar Lipids Inc) and 5 uL of Ceramide LIPIDOMIX® Mass Spec Standard (part no. 330712X, Avanti Polar Lipids Inc). Samples were mixed for 1 h at room temperature, centrifuged (14,000 g, 10 min, 20 ⁰C) and transferred into sample vials with glass inserts for analysis."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Vanquish","COLUMN_NAME":"Agilent ZORBAX Eclipse Plus C18 (100 x 2.1mm,1.8um)","SOLVENT_A":"60% Acetonitrile/40% Water; 10 mM ammonium acetate; 5 uM medronic acid","SOLVENT_B":"90% Isopropanol/10% Acetonitrile; 10 mM ammonium acetate","FLOW_GRADIENT":"a flow rate of 350 uL/min for 3 min using 30% solvent B. During separation, the percentage of solvent B was increased from 30% to 70% in 5 min, from 70% to 93% in 9 min and, from 93% to 99% in 7 min, and from 91% to 97% in 31 min. Subsequently, the percentage of solvent B was increased to 99.5% in 0.1 min and then maintained at 99.5% for 3 min. Finally, the percentage of solvent B was decreased to 30% in 0.1 min and maintained for 3.9 min","FLOW_RATE":"350 uL/min","COLUMN_TEMPERATURE":"60"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Thermo Fusion Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"All experiments were performed using a Heated Electrospray Ionization (HESI) source. The spray voltages were 3.5 kV in positive ionisation-mode and 3.0 kV in negative ionisation-mode. In both polarities, the flow rates of sheath, auxiliary and sweep gases were 20 and 6 and 1 ‘arbitrary’ unit(s), respectively. The ion transfer tube and vaporizer temperatures were maintained at 350 °C and 400 °C, respectively, and the S-Lens RF level was set at 50%. In the positive ionisation-mode from 3 to 24 min, top speed data-dependent scan with a cycle time of 1 s was used. Within each cycle, a full-scan MS spectra were acquired firstly in the Orbitrap at a mass resolving power of 120,000 (at m/z 200) across an m/z range of 300–2000 using quadrupole isolation, an automatic gain control (AGC) target of 4e5 and a maximum injection time of 50 milliseconds, followed by higher-energy collisional dissociation (HCD)-MS/MS at a mass resolving power of 15,000 (at m/z 200), a normalised collision energy (NCE) of 27% at positive mode and 30% at negative mode, an m/z isolation window of 1, a maximum injection time of 22 milliseconds and an AGC target of 5e4. For the improved structural characterisation of glycerophosphocholine (PC) lipid cations, a data-dependent product ion (m/z 184.0733)-triggered collision-induced dissociation (CID)-MS/MS scan was performed in the cycle using a q-value of 0.25 and a NCE of 30%, with other settings being the same as that for HCD-MS/MS. For the improved structural characterisation of triacylglycerol (TG) lipid cations, the fatty acid + NH3 neutral loss product ions observed by HCD-MS/MS were used to trigger the acquisition of the top-3 data-dependent CID-MS3 scans in the cycle using a q-value of 0.25 and a NCE of 30%, with other settings being the same as that for HCD-MS/MS. Identification and quantification of lipids LC-MS/MS data was searched through MS Dial 4.48. The mass accuracy settings are 0.005 Da and 0.025 Da for MS1 and MS2. The minimum peak height is 50000 and mass slice width is 0.05 Da. The identification score cut off is 80%. Post identification was done with a text file containing name and m/z of each standard in SPLASH® II LIPIDOMIX® Mass Spec Standard. In positive mode, [M+H]+, [M+NH4]+ and [M+H-H2O]+ were selected as ion forms and lipid classes including CAR, LPC, LPE, PC, PE, PS, CL, EtherLPC, EtherLPE, EtherPC, EtherPE, Sph, DHSph, SM, MG, DG, EtherDG, TG, EtherTG, CE, CoQ, Cer_NS, Cer_NDS, CerP, HexCer_NS, HexCer_NDS, Hex2Cer, Hex3Cer and ST were selected for the search. In negative mode, [M-H]- and [M+CH3COO]- were selected as ion forms and lipid classes including LPS, LPG, LPI, LPA, PA, PC, PE, PG, PI, PS, CL, EtherPC, EtherPE, EtherPS, EtherPI, EtherPG, EtherLPG, SM, Cer_NS, Cer_NDS, CerP, HexCer_NS, HexCer_NDS, Hex2Cer, Hex3Cer, SHexCer, NAE and GM3 were selected for the search. The retention time tolerance for alignment is 0.1 min. The peak count filter is 50% and the N% detected in at least one group is 66%. Lipids with maximum intensity less than 5-fold of average intensity in blank was removed. All other settings were default. All lipid LC-MS features were manually inspected and re-integrated when needed. These four types of lipids, 1) Cer_NS, Cer_NDS and CL with only sum composition, 2) lipid identification due to peak tailing, 3) retention time outliner within each lipid class, 4) LPA and PA generated by in-source fragmentation of LPS and PS were also removed. Relative quantification of lipid species was achieved by comparison of the LC peak areas of identified lipids against those of the corresponding internal lipid standards in the same lipid class, and the resultant ratio of peak area was then normalized to weight of tissue and total PC content. For the lipid classes without correspondent isotope-labelled internal lipid standards, the LC peak areas of individual molecular species within these classes were normalised as follows: the MG species against the DG (18:1D7_15:0) internal standard; the CL, LPG, PG, LPA and PA against the PI (18:1D7_15:0) internal standard; the LPS against the PS (18:1D7_15:0) internal standard; the Hex1Cer against the SM (d36:2D9) internal standard. Given that only a single lipid standard per class was used, some of the identified lipids were normalised against a standard from a different class or sub-class, and no attempts were made to quantitatively correct for different ESI responses of individual lipids due to concentration, acyl chain length, degree of unsaturation, or matrix effects caused by differences in chromatographic retention times compared with the relevant standards. The results reported here are for relative quantification and should not be considered to reflect the absolute concentrations of each lipid or lipid sub-class. Lipidomics data analysis All lipidomics data were further processed with Perseus (Version 1.5.0.40). Within Perseus, values were log2 transformed, each lipid species normalized to the z-score, and the replicates grouped accordingly. All lipid species that had less than 70 percent of “valid value” in each group were removed and the missing values were replaced by imputation. A two-sample t-test (FDR < 5%) was performed to obtain a list of significantly regulated lipids between diets within each strain. Lastly, lipidomics data were analysed for biophysical data, lipid functions and organelle associations using the Lipid Ontology (LION) enrichment analysis web application, as well as BioPAN (Bioinformatics Methodology For Pathway Analysis)."},

"MS_METABOLITE_DATA":{
"Units":"pmol/mg tissue",

"Data":[{"Metabolite":"Cer 34:0;2O|Cer 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_Hamze_MM-1835_123n":"0.002978544","210226_Hamze_MM-1835_124n":"0.00337279","210226_Hamze_MM-1835_125n":"0.006470148","210226_Hamze_MM-1835_126n":"0.001695366","210226_Hamze_MM-1835_127n":"0.003111785","210226_Hamze_MM-1835_128n":"0.000810772","210226_Hamze_MM-1835_129n":"0.001654776","210226_Hamze_MM-1835_130n":"0.001225077","210226_Hamze_MM-1835_131n":"0.002128761","210226_Hamze_MM-1835_132n":"0.002316636","210226_Hamze_MM-1835_133n":"0.001987881","210226_Hamze_MM-1835_134n":"0.001403996","210226_Hamze_MM-1835_135n":"0.002318999","210226_Hamze_MM-1835_136n":"0.001660173","210226_Hamze_MM-1835_137n":"0.002863273","210226_Hamze_MM-1835_138n":"0.001567968","210226_Hamze_MM-1835_139n":"0.00226049","210226_Hamze_MM-1835_140n":"0.00154042","210226_Hamze_MM-1835_141n":"0.003164779","210226_Hamze_MM-1835_142n":"0.001514735","210226_Hamze_MM-1835_143n":"0.000896799","210226_Hamze_MM-1835_144n":"0.001094099","210226_Hamze_MM-1835_blank1n":"0","210226_Hamze_MM-1835_blank2n":"0","210226_Hamze_MM-1835_blank3n":"0","210226_Hamze_MM-1835_blank4n":"0"}],

"Metabolites":[{"Metabolite":"Cer 34:0;2O|Cer 18:0;2O/16:0","Alignment ID":"1009","Average Rt(min)":"12.574","Average Mz":"538.51898","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"9.97","Reference m/z":"538.52051","Formula":"C34H69NO3","Ontology":"Cer_NDS","INCHIKEY":"GCGTXOVNNFGTPQ-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"85.2","Reverse dot product":"94.3","Fragment presence %":"100","S/N average":"16355.41","Spectrum reference file name":"210226_Hamze_MM-1835_049n","MS1 isotopic spectrum":"538.52051:3696382 539.52386:2191904 540.52722:511108","MS/MS spectrum":"104.95519:5595 129.6261:6660 159.48843:10715 237.22159:67875 239.23897:54174 254.24911:15281 255.23132:163647 280.26468:296287 296.25787:74053 300.28986:24200 337.22922:8816 345.51743:9075 490.4964:99061 506.4949:37180 538.52295:491818"},{"Metabolite":"Cer 36:0;2O|Cer 18:0;2O/18:0","Alignment ID":"1170","Average Rt(min)":"13.564","Average Mz":"566.55023","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"11.31","Reference m/z":"566.55182","Formula":"C36H73NO3","Ontology":"Cer_NDS","INCHIKEY":"KZTJQXAANJHSCE-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"84.1","Reverse dot product":"94.3","Fragment presence %":"100","S/N average":"22145.86","Spectrum reference file name":"210226_Hamze_MM-1835_143n","MS1 isotopic spectrum":"566.55182:2645420 567.55517:1510416 568.55853:235409","MS/MS spectrum":"132.30362:6918 136.37726:7091 178.2751:8133 239.23894:65561 265.25388:112152 268.26645:17422 282.00061:11070 282.28046:30919 283.26581:218536 300.28979:26114 308.29636:427332 324.28897:100195 332.31656:9611 518.52783:153785 534.51996:53328 566.55511:519299"},{"Metabolite":"Cer 40:0;2O|Cer 18:0;2O/22:0","Alignment ID":"1606","Average Rt(min)":"15.385","Average Mz":"622.61407","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"13.25","Reference m/z":"622.61438","Formula":"C40H81NO3","Ontology":"Cer_NDS","INCHIKEY":"SXPRAKSDHOEHIG-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"91.6","Reverse dot product":"96.3","Fragment presence %":"100","S/N average":"3837.78","Spectrum reference file name":"210226_Hamze_MM-1835_133n","MS1 isotopic spectrum":"622.61389:46208304 623.61724:33807368 624.6206:7930290","MS/MS spectrum":"174.8075:8885 178.24464:19768 223.33975:9544 239.23923:371520 252.26746:20151 265.24957:17330 266.24963:12567 268.26208:63392 280.26498:12524 282.28079:20416 300.29016:152062 308.29675:18458 321.3129:616293 323.33215:19709 336.32709:15760 337.34262:23934 338.34265:208866 339.32709:437377 340.34274:9841 364.35611:2707515 365.3063:17212 365.3588:33488 366.36563:25561 380.35153:542171 381.35706:11406 382.36655:47976 574.58929:869835 586.58984:12640 590.59143:1010690 592.58441:20371 604.59711:59899 622.61139:2981212"},{"Metabolite":"Cer 40:1;2O|Cer 18:1;2O/22:0","Alignment ID":"1589","Average Rt(min)":"15.003","Average Mz":"620.59851","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"13.02","Reference m/z":"620.59869","Formula":"C40H79NO3","Ontology":"Cer_NS","INCHIKEY":"KEPQASGDXIEOIL-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"85.4","Reverse dot product":"97.4","Fragment presence %":"100","S/N average":"43167.43","Spectrum reference file name":"210226_Hamze_MM-1835_blank2n","MS1 isotopic spectrum":"620.59882:618992 621.60217:517033 622.60553:74299","MS/MS spectrum":"104.53056:4548 113.38184:5992 192.12933:8038 237.14333:8808 237.22176:31395 263.23868:27872 272.28836:16659 321.31277:24851 338.34256:26350 339.32697:19403 364.35599:102901 380.35938:24315 446.58615:9034 498.76434:9062 572.58319:15854 588.5777:23246 590.59125:37364 620.61432:82581"},{"Metabolite":"Cer 41:1;2O|Cer 18:1;2O/23:0","Alignment ID":"1697","Average Rt(min)":"15.535","Average Mz":"634.61365","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"13.16","Reference m/z":"634.61438","Formula":"C41H81NO3","Ontology":"Cer_NS","INCHIKEY":"NAJHAHQNQCNWOP-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"76.8","Reverse dot product":"96.5","Fragment presence %":"100","S/N average":"29743.13","Spectrum reference file name":"210226_Hamze_MM-1835_024n","MS1 isotopic spectrum":"634.61389:130359832 635.61724:97177568 636.6206:22501630","MS/MS spectrum":"112.98494:18563 120.89217:6200 141.37563:7018 146.19337:7001 148.66692:8192 178.24461:22254 204.6852:8237 211.04906:7711 223.20715:52181 237.22179:130362 249.2236:36998 250.25755:9141 263.23871:118048 267.23184:21717 268.26202:16810 268.29504:8494 335.32925:121326 349.34888:50136 352.35474:127923 353.3439:69547 366.37308:65891 367.35388:29906 378.37604:566572 392.39355:165529 394.37051:96074 408.38058:33384 554.44604:10188 586.58972:102339 602.59076:117302 604.59692:209935 634.45374:35614 634.60822:399418"},{"Metabolite":"Cer 42:1;2O|Cer 18:1;2O/24:0","Alignment ID":"1812","Average Rt(min)":"16.053","Average Mz":"648.62988","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"13.26","Reference m/z":"648.63","Formula":"C42H83NO3","Ontology":"Cer_NS","INCHIKEY":"ZJVVOYPTFQEGPH-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"89.9","Reverse dot product":"95.2","Fragment presence %":"100","S/N average":"58288.49","Spectrum reference file name":"210226_Hamze_MM-1835_019n","MS1 isotopic spectrum":"648.63007:369392160 649.63342:242919744 650.63678:61915812","MS/MS spectrum":"223.20718:20379 235.20659:16100 237.22182:1301443 239.23921:40584 249.21941:11182 250.25334:56754 255.23595:25370 263.23874:1033319 266.2496:114989 268.26675:164662 281.24991:29480 298.27777:62202 347.33157:12291 349.34891:1149212 363.36502:16038 364.35608:17038 365.37375:26669 366.37314:1127749 367.36148:646851 380.39133:17859 390.37344:67781 391.37741:15162 392.39362:4487038 393.33838:26422 406.40302:39955 408.36292:240951 408.38065:768004 410.40845:13054 589.591:14680 600.61047:590809 602.62262:12268 612.60852:14368 616.60022:811032 618.62726:1213127 630.61072:47485 648.63715:2454760"},{"Metabolite":"Cer 42:2;2O|Cer 18:1;2O/24:1","Alignment ID":"1796","Average Rt(min)":"13.765","Average Mz":"646.61353","Adduct type":"[M-H]-","Fill %":"0.752","MS/MS assigned":"TRUE","Reference RT":"13.03","Reference m/z":"646.61438","Formula":"C42H81NO3","Ontology":"Cer_NS","INCHIKEY":"HZPUWSUHFOTSAY-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"86.7","Reverse dot product":"91.3","Fragment presence %":"100","S/N average":"192.15","Spectrum reference file name":"210226_Hamze_MM-1835_037n","MS1 isotopic spectrum":"646.6145:741845 647.61785:639982 648.62121:0","MS/MS spectrum":"150.12363:8484 178.87485:8810 213.64043:7614 228.92537:9122 237.22182:389473 239.23921:15053 250.25334:23742 263.23874:318383 266.2496:31967 268.26675:68280 281.24991:10929 298.27777:15060 347.33157:378696 364.35608:337728 365.34378:208989 390.37344:1603960 406.36783:304864 447.77417:11889 569.95917:11566 598.59265:222119 614.58313:251423 616.60022:337033 628.60919:12373 646.61981:539879"},{"Metabolite":"Cer 42:6;2O|Cer 18:1;2O/24:5","Alignment ID":"1735","Average Rt(min)":"12.283","Average Mz":"638.55115","Adduct type":"[M-H]-","Fill %":"0.862","MS/MS assigned":"TRUE","Reference RT":"10.95","Reference m/z":"638.55182","Formula":"C42H73NO3","Ontology":"Cer_NS","INCHIKEY":"GRTWTZBOZSGYSF-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"78.5","Reverse dot product":"88.2","Fragment presence %":"100","S/N average":"146.46","Spectrum reference file name":"210226_Hamze_MM-1835_012n","MS1 isotopic spectrum":"638.5517:1106923 639.55505:632635 640.55841:211568","MS/MS spectrum":"93.57714:3957 178.2446:10911 237.22176:64527 263.23868:43838 313.29099:13013 324.08246:10353 339.26657:20889 356.29321:10774 357.27728:25345 382.31024:165593 398.30984:19220 590.5296:32694 606.42065:11484 606.5329:39289 608.54266:37266 638.55719:52023"},{"Metabolite":"Cer 43:0;2O|Cer 18:0;2O/25:0","Alignment ID":"1957","Average Rt(min)":"16.742","Average Mz":"664.65997","Adduct type":"[M-H]-","Fill %":"0.552","MS/MS assigned":"TRUE","Reference RT":"13.51","Reference m/z":"664.66132","Formula":"C43H87NO3","Ontology":"Cer_NDS","INCHIKEY":"HCDLRJUFVJOBJP-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"89.4","Reverse dot product":"97.3","Fragment presence %":"100","S/N average":"80.76","Spectrum reference file name":"210226_Hamze_MM-1835_116n","MS1 isotopic spectrum":"664.66168:1307148 665.66503:1045377 666.66839:240177","MS/MS spectrum":"129.93733:7243 178.27014:40913 212.01358:7585 213.53983:8926 239.23915:39771 300.29007:12538 363.36493:60591 380.39124:26498 381.37292:34742 392.39352:24038 406.40292:228802 422.40399:47748 602.6225:15864 616.63293:88011 632.63879:105367 664.66064:334167"},{"Metabolite":"Cer 43:1;2O|Cer 18:1;2O/25:0","Alignment ID":"1936","Average Rt(min)":"16.383","Average Mz":"662.6452","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"13.39","Reference m/z":"662.64569","Formula":"C43H85NO3","Ontology":"Cer_NS","INCHIKEY":"QHPYSHVSWAOLHS-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"89.5","Reverse dot product":"98.3","Fragment presence %":"100","S/N average":"17766.91","Spectrum reference file name":"210226_Hamze_MM-1835_037n","MS1 isotopic spectrum":"662.64563:26140056 663.64898:17274742 664.65234:4364903","MS/MS spectrum":"98.41864:5073 102.08768:6915 109.24554:5237 112.34297:5841 134.75557:6434 178.2753:16451 189.15349:8796 205.69508:9751 237.22182:28960 263.23874:24026 363.36502:24197 380.39133:27278 381.37302:15682 406.40302:74499 422.40411:15782 614.6322:12909 630.62775:26982 632.63892:20176 662.6416:84066"},{"Metabolite":"Cer 43:2;2O|Cer 18:2;2O/25:0","Alignment ID":"1911","Average Rt(min)":"15.766","Average Mz":"660.62891","Adduct type":"[M-H]-","Fill %":"0.841","MS/MS assigned":"TRUE","Reference RT":"13.2","Reference m/z":"660.63","Formula":"C43H83NO3","Ontology":"Cer_NS","INCHIKEY":"SHGDZPJYRJJAQG-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"83.4","Reverse dot product":"95","Fragment presence %":"100","S/N average":"4588.28","Spectrum reference file name":"210226_Hamze_MM-1835_010n","MS1 isotopic spectrum":"660.63043:1474446 661.63378:877835 662.63714:111674","MS/MS spectrum":"94.20914:4532 104.19514:5096 107.08718:5824 122.71501:5874 125.93555:7012 178.27011:61566 228.89923:8174 235.20648:65806 261.22339:47521 363.36484:59786 378.37592:16088 380.39114:57053 381.37283:41457 392.39343:11478 404.38715:14340 406.40283:227360 422.4039:42044 612.60822:27981 628.60889:39034 630.62744:66763 660.63129:122193"},{"Metabolite":"CL 72:9|CL 18:2_18:2_18:2_18:3","Alignment ID":"5694","Average Rt(min)":"16.35","Average Mz":"1445.94348","Adduct type":"[M-H]-","Fill %":"0.628","MS/MS assigned":"TRUE","Reference RT":"13.24","Reference m/z":"1445.94934","Formula":"C81H140O17P2","Ontology":"CL","INCHIKEY":"WZRJBUOLZXYUJZ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"65.9","Reverse dot product":"65.6","Fragment presence %":"100","S/N average":"8840.54","Spectrum reference file name":"210226_Hamze_MM-1835_116n","MS1 isotopic spectrum":"1445.94226:28842070 1446.94561:43302388 1447.94897:58131532","MS/MS spectrum":"133.61401:6207 140.98836:8780 152.99622:135266 163.66026:10956 168.55797:9194 178.26759:51102 253.21648:30392 277.21698:127891 279.23502:418781 280.23468:9278 413.20779:28072 415.22626:90411 433.23395:32404 695.45959:12990 1445.95105:56410"},{"Metabolite":"CL 74:13|CL 36:4_38:9","Alignment ID":"5733","Average Rt(min)":"15.22","Average Mz":"1465.91516","Adduct type":"[M-H]-","Fill %":"0.552","MS/MS assigned":"TRUE","Reference RT":"12.72","Reference m/z":"1465.91797","Formula":"C83H136O17P2","Ontology":"CL","INCHIKEY":"SNVZJKAEAIVSNS-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCC=CCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"81.9","RT similarity":"100","Dot product":"43.2","Reverse dot product":"10.3","Fragment presence %":"100","S/N average":"113.76","Spectrum reference file name":"210226_Hamze_MM-1835_127n","MS1 isotopic spectrum":"1465.91333:547468 1466.91668:1644579 1467.92004:10075529","MS/MS spectrum":"94.02483:4961 97.2096:5028 137.08116:7614 141.35033:7531 150.8689:6825 152.99619:44689 178.27011:68557 189.19531:8019 228.52045:9214 236.35712:7436 238.26077:7713 244.14044:8068 270.20663:9990 276.34677:9509 279.23495:167756 297.246:17317 415.2262:42832 433.23389:19847 511.38919:11748 695.45947:12836 936.21997:11109"},{"Metabolite":"HexCer 43:1;2O|HexCer 18:1;2O/25:0","Alignment ID":"3403","Average Rt(min)":"15.243","Average Mz":"824.69836","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"13.14","Reference m/z":"824.69849","Formula":"C49H95NO8","Ontology":"HexCer_NS","INCHIKEY":"RIGGIBNQNREJCL-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"FALSE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"57.3","Reverse dot product":"35.8","Fragment presence %":"100","S/N average":"229.62","Spectrum reference file name":"210226_Hamze_MM-1835_124n","MS1 isotopic spectrum":"824.69916:2222828 825.70251:2407871 826.70587:901548","MS/MS spectrum":"91.7121:5298 95.7334:4765 98.80124:5172 99.48808:5089 101.02391:38221 102.80119:4833 104.00008:5209 104.88596:5387 112.98484:32087 113.02354:29440 119.03417:31330 129.36819:7526 161.04599:8422 164.35698:8444 183.09895:7424 185.9843:8196 237.22157:29258 263.23846:14902 272.59232:8277 279.2348:32488 321.56622:8792 335.44766:8503 363.36462:10189 380.39093:27108 381.37262:24782 406.40262:75011 422.40369:21291 614.61523:19111 630.62708:18396 632.63831:15052 662.64093:194317"},{"Metabolite":"LPA 16:0","Alignment ID":"425","Average Rt(min)":"7.192","Average Mz":"409.23615","Adduct type":"[M-H]-","Fill %":"0.793","MS/MS assigned":"TRUE","Reference RT":"5.96","Reference m/z":"409.23611","Formula":"C19H39O7P","Ontology":"LPA","INCHIKEY":"YNDYKPRNFWPPFU-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)O)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"49","Reverse dot product":"73.4","Fragment presence %":"100","S/N average":"159.34","Spectrum reference file name":"210226_Hamze_MM-1835_099n","MS1 isotopic spectrum":"409.23569:1390920 410.23904:516298 411.2424:73168","MS/MS spectrum":"109.65856:6077 109.81408:6599 115.01303:5837 116.91012:6647 119.287:6890 129.73553:7361 136.65132:7808 150.92059:7378 152.99614:160989 166.0854:7490 173.19812:8122 178.03773:7730 178.2675:23195 409.24121:10606"},{"Metabolite":"LPA 18:0","Alignment ID":"534","Average Rt(min)":"8.522","Average Mz":"437.26785","Adduct type":"[M-H]-","Fill %":"0.552","MS/MS assigned":"TRUE","Reference RT":"6.89","Reference m/z":"437.2674","Formula":"C21H43O7P","Ontology":"LPA","INCHIKEY":"LAYXSTYJRSVXIH-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)O)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"45.9","Reverse dot product":"69.4","Fragment presence %":"100","S/N average":"189.54","Spectrum reference file name":"210226_Hamze_MM-1835_026n","MS1 isotopic spectrum":"437.26715:1622860 438.2705:670081 439.27386:0","MS/MS spectrum":"137.45761:7425 141.70285:7338 152.99622:727652 161.92744:7311 171.00682:23560 178.27269:41464 189.03059:8997 246.93297:10955 277.18228:16003 283.26605:25491 355.27005:63026 379.65942:9617 410.39941:8848 437.27026:34451 437.36844:15078"},{"Metabolite":"LPA 20:4","Alignment ID":"606","Average Rt(min)":"6.785","Average Mz":"457.23578","Adduct type":"[M-H]-","Fill %":"0.607","MS/MS assigned":"TRUE","Reference RT":"5.54","Reference m/z":"457.23611","Formula":"C23H39O7P","Ontology":"LPA","INCHIKEY":"QYCYIZLSHFMZKV-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)O)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"49.4","Reverse dot product":"54.5","Fragment presence %":"100","S/N average":"79.8","Spectrum reference file name":"210226_Hamze_MM-1835_047n","MS1 isotopic spectrum":"457.23633:1117805 458.23968:410896 459.24304:61907","MS/MS spectrum":"98.96279:6086 101.37151:5619 104.43647:5324 108.49294:5424 122.49196:6062 123.49811:6987 129.49786:7888 136.95024:7585 143.16469:7143 152.99612:1064188 171.00673:53652 178.2726:30776 208.51736:8130 253.77969:9013 303.23343:15958 330.5545:9612 408.92136:9526 457.24014:10780"},{"Metabolite":"LPA 22:6","Alignment ID":"732","Average Rt(min)":"6.71","Average Mz":"481.23621","Adduct type":"[M-H]-","Fill %":"0.807","MS/MS assigned":"TRUE","Reference RT":"5.49","Reference m/z":"481.23611","Formula":"C25H39O7P","Ontology":"LPA","INCHIKEY":"UWHSPTWBPTXYMF-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)O)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"68","Reverse dot product":"51.2","Fragment presence %":"100","S/N average":"147.15","Spectrum reference file name":"210226_Hamze_MM-1835_138n","MS1 isotopic spectrum":"481.23657:1397353 482.23992:658301 483.24328:107510","MS/MS spectrum":"98.48575:5875 105.91425:6739 116.44874:5695 137.98169:7031 142.2077:6564 150.98042:10382 152.99623:1585000 171.00684:61541 227.03305:19115 253.21651:223683 255.179:9776 258.90002:9997 266.52032:9946 305.2392:8829 327.2374:14084 351.10818:9149 481.24069:10919"},{"Metabolite":"LPG 16:0","Alignment ID":"738","Average Rt(min)":"7.294","Average Mz":"483.27319","Adduct type":"[M-H]-","Fill %":"0.662","MS/MS assigned":"TRUE","Reference RT":"5.79","Reference m/z":"483.2728","Formula":"C22H45O9P","Ontology":"LPG","INCHIKEY":"BVJSKAUUFXBDOB-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"93.9","Reverse dot product":"97.4","Fragment presence %":"100","S/N average":"92.37","Spectrum reference file name":"210226_Hamze_MM-1835_056n","MS1 isotopic spectrum":"483.272:3970508 484.27535:1604687 485.27871:415284","MS/MS spectrum":"152.99422:69823 227.03307:33256 245.0441:13133 255.23155:641123 270.11139:8045 284.03036:8624 303.23367:14784 483.27612:121726"},{"Metabolite":"LPG 18:2","Alignment ID":"853","Average Rt(min)":"7.079","Average Mz":"507.27182","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"5.55","Reference m/z":"507.2728","Formula":"C24H45O9P","Ontology":"LPG","INCHIKEY":"VEEHTGYBVMTAAF-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"96.5","Reverse dot product":"97","Fragment presence %":"100","S/N average":"1288.52","Spectrum reference file name":"210226_Hamze_MM-1835_100n","MS1 isotopic spectrum":"507.27328:11808939 508.27663:4404201 509.27999:848407","MS/MS spectrum":"120.57164:6659 133.81317:7214 134.4838:6872 152.99413:90862 171.00435:10808 187.51334:7429 192.50151:8314 199.73654:7939 227.03293:42626 245.04396:18878 279.23489:867708 312.88638:7845 507.27927:144163"},{"Metabolite":"LPG 20:4","Alignment ID":"969","Average Rt(min)":"6.915","Average Mz":"531.27307","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"5.41","Reference m/z":"531.27283","Formula":"C26H45O9P","Ontology":"LPG","INCHIKEY":"IBHAQCAKDSJHDI-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(O)CO)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"85.2","Reverse dot product":"91.1","Fragment presence %":"100","S/N average":"1394.35","Spectrum reference file name":"210226_Hamze_MM-1835_066n","MS1 isotopic spectrum":"531.27307:20010718 532.27642:8569388 533.27978:1548604","MS/MS spectrum":"152.99417:108853 159.37831:7630 171.00441:15368 205.19547:31496 227.033:45727 245.04404:50654 245.08936:9585 250.74706:8015 259.24472:132442 271.02878:9070 303.23358:1622844 353.27966:9127 531.27118:110507"},{"Metabolite":"LPG 22:5","Alignment ID":"1098","Average Rt(min)":"7.344","Average Mz":"557.28864","Adduct type":"[M-H]-","Fill %":"0.924","MS/MS assigned":"TRUE","Reference RT":"5.61","Reference m/z":"557.28851","Formula":"C28H47O9P","Ontology":"LPG","INCHIKEY":"SFEASCDNRVXVFA-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(O)CO)CCCCCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"76.6","Reverse dot product":"99.2","Fragment presence %":"100","S/N average":"3504.96","Spectrum reference file name":"210226_Hamze_MM-1835_066n","MS1 isotopic spectrum":"557.28864:40160940 558.29199:24046276 559.29535:4572865","MS/MS spectrum":"106.17217:7328 152.99417:171558 168.69197:8257 171.00441:13213 178.26758:22970 198.63792:9153 227.033:74043 231.21082:46616 234.86606:8225 241.00896:18207 245.04404:31773 258.40866:8288 262.76697:8013 285.25745:238572 315.5416:8664 329.24866:788918 377.24841:40891 383.1785:10971 556.23047:10893 557.28833:217483"},{"Metabolite":"LPG 22:6","Alignment ID":"1088","Average Rt(min)":"6.871","Average Mz":"555.27301","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"5.35","Reference m/z":"555.27283","Formula":"C28H45O9P","Ontology":"LPG","INCHIKEY":"MGCOSBZSSKOQOR-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(O)CO)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"69.3","Reverse dot product":"97.8","Fragment presence %":"100","S/N average":"6666.37","Spectrum reference file name":"210226_Hamze_MM-1835_135n","MS1 isotopic spectrum":"555.27264:15782183 556.27599:8967484 557.27935:1870261","MS/MS spectrum":"108.56829:6586 113.21484:6455 121.43922:5735 135.1174:6189 136.44241:7426 152.99423:43113 162.60439:9146 224.82718:9137 227.0331:27087 229.1971:13410 245.04413:11615 283.24054:66176 305.45694:9573 327.23111:141435 555.27411:29495"},{"Metabolite":"LPI 18:2","Alignment ID":"1376","Average Rt(min)":"6.538","Average Mz":"595.28937","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"5.24","Reference m/z":"595.28888","Formula":"C27H49O12P","Ontology":"LPI","INCHIKEY":"SAHCQBPGXQFTRA-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"78.8","Reverse dot product":"96.1","Fragment presence %":"100","S/N average":"1239.95","Spectrum reference file name":"210226_Hamze_MM-1835_022n","MS1 isotopic spectrum":"595.28888:2584435 596.29223:1282338 597.29559:288096","MS/MS spectrum":"101.43847:4890 106.61523:5644 114.97073:5402 119.0315:5813 152.00546:7159 152.99625:34381 241.01305:15724 279.23505:31776 315.04877:23273 595.28851:21958"},{"Metabolite":"LPI 20:3","Alignment ID":"1592","Average Rt(min)":"6.994","Average Mz":"621.3045","Adduct type":"[M-H]-","Fill %":"0.938","MS/MS assigned":"TRUE","Reference RT":"5.41","Reference m/z":"621.3045","Formula":"C29H51O12P","Ontology":"LPI","INCHIKEY":"BNXYBNVTWAMAER-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"82.5","Reverse dot product":"92.2","Fragment presence %":"100","S/N average":"47194.59","Spectrum reference file name":"210226_Hamze_MM-1835_102n","MS1 isotopic spectrum":"621.30457:35554804 622.30792:20929668 623.31128:4757557","MS/MS spectrum":"151.95712:7989 152.99619:1961418 161.80582:7403 171.00679:84550 222.99957:290705 241.01295:889708 259.02075:102456 261.25967:15563 287.23856:9949 305.25055:2370189 315.04865:1057524 333.05954:89518 441.24374:19874 445.37259:20671 621.31201:1547396"},{"Metabolite":"LPI 20:4","Alignment ID":"1577","Average Rt(min)":"6.139","Average Mz":"619.28949","Adduct type":"[M-H]-","Fill %":"0.945","MS/MS assigned":"TRUE","Reference RT":"5.06","Reference m/z":"619.28888","Formula":"C29H49O12P","Ontology":"LPI","INCHIKEY":"BAWAZBRKENFJED-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"73.8","Reverse dot product":"94.9","Fragment presence %":"100","S/N average":"17556.62","Spectrum reference file name":"210226_Hamze_MM-1835_010n","MS1 isotopic spectrum":"619.2887:26413262 620.29205:10297209 621.29541:2321687","MS/MS spectrum":"106.22739:5329 107.29809:5541 149.84744:8193 152.00339:9111 152.99619:102917 196.14862:8255 222.99956:13270 232.09282:8794 238.1384:8051 241.01294:40474 303.23355:135925 315.04865:39515 333.05954:10399 619.28833:63421"},{"Metabolite":"LPI 22:5","Alignment ID":"1784","Average Rt(min)":"6.854","Average Mz":"645.3045","Adduct type":"[M-H]-","Fill %":"0.966","MS/MS assigned":"TRUE","Reference RT":"5.25","Reference m/z":"645.3045","Formula":"C31H51O12P","Ontology":"LPI","INCHIKEY":"FOMCCFMAUZQZQM-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"76.8","Reverse dot product":"91.1","Fragment presence %":"100","S/N average":"2509.26","Spectrum reference file name":"210226_Hamze_MM-1835_094n","MS1 isotopic spectrum":"645.30444:1150989 646.30779:670699 647.31115:130819","MS/MS spectrum":"94.71975:4308 110.38466:6000 122.62891:6394 152.99615:57991 241.01289:26206 285.25735:14466 315.04858:25184 329.24854:61103 645.31494:33270"},{"Metabolite":"LPI 22:6","Alignment ID":"1774","Average Rt(min)":"6.558","Average Mz":"643.28851","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"5.18","Reference m/z":"643.28888","Formula":"C31H49O12P","Ontology":"LPI","INCHIKEY":"CAPHXUZAFHNJAV-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"47.6","Reverse dot product":"92.2","Fragment presence %":"100","S/N average":"16463.99","Spectrum reference file name":"210226_Hamze_MM-1835_076n","MS1 isotopic spectrum":"643.28937:1955020 644.29272:1132180 645.29608:236868","MS/MS spectrum":"102.48523:5052 120.24392:5965 120.73668:6198 151.97314:7995 152.99612:25342 178.2726:27077 221.4664:8919 241.01286:20241 283.2403:13850 315.04852:13462 325.38913:9890 327.23083:20698 370.04446:9263 643.29547:11619"},{"Metabolite":"LPS 18:1","Alignment ID":"919","Average Rt(min)":"7.396","Average Mz":"522.28503","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"5.65","Reference m/z":"522.28369","Formula":"C24H46NO9P","Ontology":"LPS","INCHIKEY":"JZWNYZVVZXZRRH-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"89.3","Reverse dot product":"84.2","Fragment presence %":"100","S/N average":"193.54","Spectrum reference file name":"210226_Hamze_MM-1835_101n","MS1 isotopic spectrum":"522.28375:3526339 523.2871:1077302 524.29046:337919296","MS/MS spectrum":"116.83146:6418 152.99617:279925 171.00677:19863 281.24976:10106 435.25473:128297"},{"Metabolite":"LPS 20:3","Alignment ID":"1033","Average Rt(min)":"6.993","Average Mz":"546.28345","Adduct type":"[M-H]-","Fill %":"0.952","MS/MS assigned":"TRUE","Reference RT":"5.51","Reference m/z":"546.28369","Formula":"C26H46NO9P","Ontology":"LPS","INCHIKEY":"QTKPETKSJRMAET-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"84.4","Reverse dot product":"69.3","Fragment presence %":"100","S/N average":"247.2","Spectrum reference file name":"210226_Hamze_MM-1835_063n","MS1 isotopic spectrum":"546.2832:1906695 547.28655:924288 548.28991:147288","MS/MS spectrum":"95.65606:4754 152.99619:363177 171.00677:19874 459.25198:53131"},{"Metabolite":"LPS 20:4","Alignment ID":"1026","Average Rt(min)":"6.783","Average Mz":"544.26862","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"5.13","Reference m/z":"544.26813","Formula":"C26H44NO9P","Ontology":"LPS","INCHIKEY":"XKQPGKKDUSIGIL-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(N)C(=O)O)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"86.7","Reverse dot product":"81.4","Fragment presence %":"100","S/N average":"664.3","Spectrum reference file name":"210226_Hamze_MM-1835_080n","MS1 isotopic spectrum":"544.26813:5406804 545.27148:2688128 546.27484:522636","MS/MS spectrum":"125.10207:5742 152.99612:1630809 159.63995:7377 159.72878:6747 171.00671:87140 178.27515:7923 303.23343:36095 317.84082:9526 438.24356:9478 457.24014:400744"},{"Metabolite":"LPS 22:5","Alignment ID":"1196","Average Rt(min)":"7.115","Average Mz":"570.28412","Adduct type":"[M-H]-","Fill %":"0.876","MS/MS assigned":"TRUE","Reference RT":"5.33","Reference m/z":"570.28369","Formula":"C28H46NO9P","Ontology":"LPS","INCHIKEY":"HQAKMYLHPCPHCD-UHFFFAOYSA-N","SMILES":"O=C(O)C(N)COP(=O)(O)OCC(O)COC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"30.6","Reverse dot product":"70.6","Fragment presence %":"100","S/N average":"4747.11","Spectrum reference file name":"210226_Hamze_MM-1835_047n","MS1 isotopic spectrum":"570.28418:1362710 571.28753:8703366 572.29089:2372456","MS/MS spectrum":"152.99612:532522 156.9458:23809 163.06831:8480 171.00673:31140 174.95633:348176 178.2726:19465 179.89105:8364 202.7836:8674 254.20998:7835 271.22519:52294 329.2485:13784 376.87091:50437 394.88367:111569 432.09351:9232 483.25296:39152"},{"Metabolite":"LPS 22:6","Alignment ID":"1180","Average Rt(min)":"6.736","Average Mz":"568.26794","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"5.14","Reference m/z":"568.26813","Formula":"C28H44NO9P","Ontology":"LPS","INCHIKEY":"FZUFCKYWYUGORZ-UHFFFAOYSA-N","SMILES":"O=C(O)C(N)COP(=O)(O)OCC(O)COC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"84.4","Reverse dot product":"75.8","Fragment presence %":"100","S/N average":"3185.93","Spectrum reference file name":"210226_Hamze_MM-1835_115n","MS1 isotopic spectrum":"568.26837:6586711 569.27172:3141413 570.27508:619653","MS/MS spectrum":"152.99622:1171028 171.00682:57629 178.27014:35538 180.40259:9729 255.48563:9769 327.23737:10588 415.92667:10065 456.22385:9899 481.24066:186641 567.16425:9387"},{"Metabolite":"PA 36:4|PA 16:0_20:4","Alignment ID":"2214","Average Rt(min)":"9.979","Average Mz":"695.46649","Adduct type":"[M-H]-","Fill %":"0.966","MS/MS assigned":"TRUE","Reference RT":"8.58","Reference m/z":"695.4657","Formula":"C39H69O8P","Ontology":"PA","INCHIKEY":"WZKHHBHWAXZUGV-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"88.6","Reverse dot product":"67.8","Fragment presence %":"100","S/N average":"2908.42","Spectrum reference file name":"210226_Hamze_MM-1835_079n","MS1 isotopic spectrum":"695.46594:16027500 696.46929:12443261 697.47265:2560840","MS/MS spectrum":"96.9692:98696 134.98415:72195 150.9803:9925 152.99611:5667420 171.0067:143085 178.26747:19655 205.19534:56817 250.81938:11094 253.21631:27549 254.22301:12060 255.23134:15377495 256.23688:11335 259.24457:272606 259.76523:13283 285.22626:13578 303.2334:3527309 304.23938:11094 322.37885:10090 391.22745:1574190 409.24112:1360527 439.23022:100819 457.24011:52861 695.32129:12845 695.47882:55784"},{"Metabolite":"PA 38:6|PA 16:0_22:6","Alignment ID":"2458","Average Rt(min)":"9.881","Average Mz":"719.46643","Adduct type":"[M-H]-","Fill %":"0.655","MS/MS assigned":"TRUE","Reference RT":"8.59","Reference m/z":"719.4657","Formula":"C41H69O8P","Ontology":"PA","INCHIKEY":"NXXSEGVRTTVEEI-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"40.1","Reverse dot product":"72.5","Fragment presence %":"100","S/N average":"730.56","Spectrum reference file name":"210226_Hamze_MM-1835_039n","MS1 isotopic spectrum":"719.46417:4823956 720.46752:3368076 721.47088:4607865","MS/MS spectrum":"152.99626:343535 171.00687:84209 209.02278:20279 227.03308:33435 227.20213:141959 253.21655:2662740 255.23158:1276417 277.38068:9346 279.23508:70359 281.24991:461873 283.24567:13317 303.23367:44705 327.23111:11661 341.59332:9702 363.19403:17091 389.2084:12781 391.22784:89342 409.23264:38668 440.01251:9026 455.24203:21921 463.24066:17468 465.2597:35179 472.97229:10215 481.25211:20809 483.27618:106282 719.47815:327278"},{"Metabolite":"PC O-38:6|PC O-16:0_22:6","Alignment ID":"3633","Average Rt(min)":"11.376","Average Mz":"850.59558","Adduct type":"[M+CH3COO]-","Fill %":"0.579","MS/MS assigned":"TRUE","Reference RT":"9.66","Reference m/z":"850.59668","Formula":"C46H82NO7P","Ontology":"EtherPC","INCHIKEY":"QQQQNYAHSSIZBU-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"47.4","Reverse dot product":"82.7","Fragment presence %":"100","S/N average":"112.73","Spectrum reference file name":"210226_Hamze_MM-1835_069n","MS1 isotopic spectrum":"850.59613:1957431 851.59948:3826608 852.60284:736778","MS/MS spectrum":"108.66306:6468 135.31151:6765 135.80974:7264 178.27014:41929 229.19704:10592 255.23152:27487 256.23706:16621 281.24985:14324 283.24048:73536 285.25748:11237 296.17053:11261 312.22794:9213 327.23102:121038 329.24869:41485 330.25165:12242 448.32394:12388 466.32816:61640 494.10898:9331 776.55878:21598 850.58691:15425"},{"Metabolite":"PE 32:0|PE 16:0_16:0","Alignment ID":"2164","Average Rt(min)":"10.802","Average Mz":"690.5061","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"9.57","Reference m/z":"690.50787","Formula":"C37H74NO8P","Ontology":"PE","INCHIKEY":"SLKDGVPOSSLUAI-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"99.8","RT similarity":"100","Dot product":"50.5","Reverse dot product":"34","Fragment presence %":"100","S/N average":"503.87","Spectrum reference file name":"210226_Hamze_MM-1835_131n","MS1 isotopic spectrum":"690.50769:3862475 691.51104:2822008 692.5144:914925","MS/MS spectrum":"147.08185:9177 168.04228:213084 169.04546:23732 170.04811:34650 176.67099:8459 178.27019:23013 224.069:100866 227.17273:12288 227.20213:2575697 241.21808:24929 255.23158:3856211 265.98392:8539 309.52673:9699 434.27191:31342 452.27396:109867 462.30008:23919 480.31265:51337 690.54333:310760"},{"Metabolite":"PE 32:1|PE 16:0_16:1","Alignment ID":"2146","Average Rt(min)":"10.271","Average Mz":"688.4917","Adduct type":"[M-H]-","Fill %":"0.648","MS/MS assigned":"TRUE","Reference RT":"9.11","Reference m/z":"688.49231","Formula":"C37H72NO8P","Ontology":"PE","INCHIKEY":"CZOSTDZGCCEZTJ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"34.8","Reverse dot product":"59.3","Fragment presence %":"100","S/N average":"174.75","Spectrum reference file name":"210226_Hamze_MM-1835_012n","MS1 isotopic spectrum":"688.49158:1037611 689.49493:813248 690.49829:0","MS/MS spectrum":"108.82866:7755 114.59573:6896 168.04459:10846 171.80676:7598 178.27271:19597 196.39372:7924 224.06894:15333 225.18588:69204 227.20209:208884 253.21649:358800 255.23152:37931 281.24985:10157 358.45483:8985 452.28415:9292 461.45798:10276 489.75116:8451 538.30872:9411 688.50195:12658"},{"Metabolite":"PE 34:1|PE 16:0_18:1","Alignment ID":"2427","Average Rt(min)":"10.927","Average Mz":"716.52466","Adduct type":"[M-H]-","Fill %":"0.993","MS/MS assigned":"TRUE","Reference RT":"9.91","Reference m/z":"716.52362","Formula":"C39H76NO8P","Ontology":"PE","INCHIKEY":"FHQVHHIBKUMWTI-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"36.3","Reverse dot product":"65.9","Fragment presence %":"100","S/N average":"6809.65","Spectrum reference file name":"210226_Hamze_MM-1835_110n","MS1 isotopic spectrum":"716.52332:39980088 717.52667:39035940 718.53003:9919676","MS/MS spectrum":"140.0121:9764 141.50931:8139 141.79893:9144 152.99626:17476 168.04228:383876 178.27275:15109 206.82098:8037 222.53558:8739 224.069:279806 227.20215:844519 227.89131:7704 231.72134:8671 242.08121:27322 253.21655:9457855 255.23158:4438211 256.31201:10556 267.23187:20068 279.22507:11479 281.24991:2241852 434.26221:17321 452.27396:52770 460.27896:24995 462.30008:62597 478.29593:45217 480.31265:207372 624.13202:9436 716.52423:92389"},{"Metabolite":"PE 34:3|PE 16:0_18:3","Alignment ID":"2389","Average Rt(min)":"10.826","Average Mz":"712.49176","Adduct type":"[M-H]-","Fill %":"0.676","MS/MS assigned":"TRUE","Reference RT":"8.96","Reference m/z":"712.49231","Formula":"C39H72NO8P","Ontology":"PE","INCHIKEY":"QONZHKTZKTUIMU-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"51","Reverse dot product":"59.6","Fragment presence %":"100","S/N average":"918.25","Spectrum reference file name":"210226_Hamze_MM-1835_058n","MS1 isotopic spectrum":"712.49133:15112638 713.49468:9589366 714.49804:2135086","MS/MS spectrum":"140.01207:38347 178.27527:22008 196.03665:37584 233.22836:20109 251.1996:67748 253.21651:34837 255.23152:449773 277.21701:1165247 279.23505:108935 281.24985:60759 406.27985:14155 408.28311:10103 434.27182:13499 452.28418:47613 580.34021:20058 686.66296:11265 712.50476:11881"},{"Metabolite":"PE 35:0|PE 17:0_18:0","Alignment ID":"2592","Average Rt(min)":"11.799","Average Mz":"732.55396","Adduct type":"[M-H]-","Fill %":"0.828","MS/MS assigned":"TRUE","Reference RT":"11.12","Reference m/z":"732.55487","Formula":"C40H80NO8P","Ontology":"PE","INCHIKEY":"AJNYYCRNVNEGMQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"90","RT similarity":"100","Dot product":"30","Reverse dot product":"30.3","Fragment presence %":"100","S/N average":"181.05","Spectrum reference file name":"210226_Hamze_MM-1835_067n","MS1 isotopic spectrum":"732.55402:1701109 733.55737:0 734.56073:0","MS/MS spectrum":"168.04224:19222 224.06892:14582 246.11841:8659 255.23151:473759 269.24591:569282 283.26093:10401 365.80896:9408 480.3125:15842 486.27859:10329 494.32129:10688 732.58405:42678"},{"Metabolite":"PE 35:1|PE 17:0_18:1","Alignment ID":"2571","Average Rt(min)":"12.324","Average Mz":"730.54047","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"10.29","Reference m/z":"730.53918","Formula":"C40H78NO8P","Ontology":"PE","INCHIKEY":"UAKUCJGIIYSFFK-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"FALSE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"65.1","Reverse dot product":"66.7","Fragment presence %":"100","S/N average":"5089.62","Spectrum reference file name":"210226_Hamze_MM-1835_133n","MS1 isotopic spectrum":"730.53754:28127750 731.54089:18540988 732.54425:4978556","MS/MS spectrum":"122.00156:8220 140.01033:108216 161.75508:7896 178.27277:40802 196.0367:82738 214.04671:9579 218.43362:8016 253.21657:10967 255.2316:63678 268.85748:8848 269.24603:4005134 281.24994:2281966 282.25024:10373 295.26425:33670 297.27917:19472 373.62451:9394 448.28333:28433 460.27899:29419 466.29587:52270 478.29596:113609 574.66327:9950 730.5448:68097"},{"Metabolite":"PE 36:0|PE 18:0_18:0","Alignment ID":"2739","Average Rt(min)":"13.562","Average Mz":"746.57031","Adduct type":"[M-H]-","Fill %":"0.952","MS/MS assigned":"TRUE","Reference RT":"11.75","Reference m/z":"746.5705","Formula":"C41H82NO8P","Ontology":"PE","INCHIKEY":"LVNGJLRDBYCPGB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"76.8","Reverse dot product":"50.3","Fragment presence %":"100","S/N average":"979.42","Spectrum reference file name":"210226_Hamze_MM-1835_043n","MS1 isotopic spectrum":"746.56982:2158274 747.57317:1746426 748.57653:498301","MS/MS spectrum":"138.17685:6303 140.01035:29572 171.45677:7433 178.24722:23614 196.03671:16262 196.61858:7867 244.59998:8032 251.90651:11283 255.23161:105149 281.24994:19831 282.25027:24061 283.26617:1262665 294.80722:8566 311.29425:54549 434.56363:8425 462.30014:14798 480.31274:29389 746.57727:12599"},{"Metabolite":"PE 36:5|PE 16:1_20:4","Alignment ID":"2640","Average Rt(min)":"10.639","Average Mz":"736.49243","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"8.76","Reference m/z":"736.49231","Formula":"C41H72NO8P","Ontology":"PE","INCHIKEY":"CXGZFWPMXPAZEA-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"87.9","Reverse dot product":"61.4","Fragment presence %":"100","S/N average":"14807.49","Spectrum reference file name":"210226_Hamze_MM-1835_096n","MS1 isotopic spectrum":"736.49219:149907072 737.49554:166859152 738.4989:42301204","MS/MS spectrum":"122.00148:23459 140.01202:277713 152.99414:11709 163.07506:12046 177.09271:20599 178.24454:34713 196.03658:277445 205.19543:162830 214.04994:25244 231.21077:29779 253.21642:3595960 255.23145:11392 259.24466:661870 269.25061:13921 270.24954:13872 277.21692:33319 279.23492:54622 281.24976:12552 285.22119:51829 301.2196:14513 303.23352:6595137 432.24796:58362 450.2666:350028 482.2623:13802 500.28659:10536 736.51691:60878"},{"Metabolite":"PE 37:1|PE 18:0_19:1","Alignment ID":"2843","Average Rt(min)":"12.082","Average Mz":"758.57019","Adduct type":"[M-H]-","Fill %":"0.579","MS/MS assigned":"TRUE","Reference RT":"11.51","Reference m/z":"758.5705","Formula":"C42H82NO8P","Ontology":"PE","INCHIKEY":"AHZWSXIVPHUMBV-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"18.2","Reverse dot product":"79.2","Fragment presence %":"100","S/N average":"619.63","Spectrum reference file name":"210226_Hamze_MM-1835_022n","MS1 isotopic spectrum":"758.5708:6070275 759.57415:5862809 760.57751:1413652","MS/MS spectrum":"140.01208:10146 168.04227:41619 196.03667:13176 224.06897:37388 253.21652:34606 255.23155:73740 267.23184:359080 269.2507:277149 277.21704:26328 279.23505:152417 280.23471:46722 281.24988:833942 283.26611:296495 284.26691:15035 295.22607:281417 295.26419:192026 297.24609:20866 297.27911:12754 299.25916:20657 351.50412:10227 480.31259:16707 494.32138:27761 536.72992:8679 758.54614:33049"},{"Metabolite":"PE 37:2|PE 19:0_18:2","Alignment ID":"2823","Average Rt(min)":"12.587","Average Mz":"756.55438","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"10.63","Reference m/z":"756.55487","Formula":"C42H80NO8P","Ontology":"PE","INCHIKEY":"SBVNTISGMCSXLX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"61.7","Reverse dot product":"61.5","Fragment presence %":"100","S/N average":"4664.71","Spectrum reference file name":"210226_Hamze_MM-1835_074n","MS1 isotopic spectrum":"756.55438:83221264 757.55773:76424288 758.56109:21029140","MS/MS spectrum":"122.00147:40758 140.01202:593084 178.02499:19610 196.03658:529564 214.04993:38356 261.21884:23135 269.25058:51472 274.1795:27609 279.23492:24886598 281.24973:203577 283.26596:107786 284.42636:25740 293.24805:284578 295.26407:124370 297.27899:8924302 307.26459:159805 458.27078:69262 476.3139:191408 494.33295:812954 756.55334:300104"},{"Metabolite":"PE 38:1|PE 18:0_20:1","Alignment ID":"2974","Average Rt(min)":"13.646","Average Mz":"772.58716","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"12.18","Reference m/z":"772.58618","Formula":"C43H84NO8P","Ontology":"PE","INCHIKEY":"DBYSGBYABPVNGO-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"63.5","Reverse dot product":"49.2","Fragment presence %":"100","S/N average":"10123.66","Spectrum reference file name":"210226_Hamze_MM-1835_144n","MS1 isotopic spectrum":"772.58667:109943720 773.59002:95536968 774.59338:28072394","MS/MS spectrum":"122.00143:49289 140.01196:676571 168.04211:2027450 169.04529:205685 178.27002:42908 196.03944:562599 214.04985:41147 255.23132:111211 279.2348:29892 280.2395:27003 281.24963:788253 283.26587:9970887 284.27182:17748 309.28101:29334252 310.28207:26516 311.29388:212313 315.32486:20299 337.30902:293535 432.29602:22886 449.31387:26777 450.31772:23184 462.29962:224492 480.31219:901022 488.31097:64098 506.32361:83746 683.5625:17536 701.56409:39414 772.64636:5883860"},{"Metabolite":"PE 38:2|PE 18:1_20:1","Alignment ID":"2957","Average Rt(min)":"12.855","Average Mz":"770.57117","Adduct type":"[M-H]-","Fill %":"0.752","MS/MS assigned":"TRUE","Reference RT":"11.14","Reference m/z":"770.5705","Formula":"C43H82NO8P","Ontology":"PE","INCHIKEY":"UITCASPZWUAJBW-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"62.1","Reverse dot product":"66.3","Fragment presence %":"100","S/N average":"9759.53","Spectrum reference file name":"210226_Hamze_MM-1835_060n","MS1 isotopic spectrum":"770.57098:62189692 771.57433:69673368 772.57769:23693170","MS/MS spectrum":"122.00009:26735 140.0121:400427 168.04227:60212 196.03668:377294 214.05005:17975 253.21654:28995 255.23157:25396 279.23508:484282 281.24991:7670130 283.26611:324658 295.26422:16528 303.39816:15924 307.26474:557279 309.28131:14656448 311.29419:25005 315.33719:16959 335.29633:20867 337.30933:22898 460.27893:117126 478.2959:444402 480.31262:23187 488.31143:57442 506.32407:143218 508.34851:15437 770.57593:247288"},{"Metabolite":"PE 38:3|PE 18:0_20:3","Alignment ID":"2938","Average Rt(min)":"12.397","Average Mz":"768.55511","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"10.38","Reference m/z":"768.55487","Formula":"C43H80NO8P","Ontology":"PE","INCHIKEY":"MSYFXMJDQLPRGO-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"90.9","Reverse dot product":"61.4","Fragment presence %":"100","S/N average":"69929.69","Spectrum reference file name":"210226_Hamze_MM-1835_011n","MS1 isotopic spectrum":"768.55481:204428368 769.55816:229802032 770.56152:63325288","MS/MS spectrum":"122.0015:69073 140.01204:824823 152.9962:22279 178.02759:28428 178.24712:44784 196.03955:715040 207.21106:19132 214.04997:57443 255.23148:37138 259.24469:14116 261.25967:182066 278.11115:15162 279.23495:198419 281.24979:82477 283.26602:11578026 284.26685:67033 285.27295:16353 287.23859:84954 299.48709:29285 303.23355:105162 303.65353:28643 304.23956:85361 305.25058:30362072 306.25513:29942 306.85446:27758 307.26465:133028 309.28119:76897 311.17615:25213 333.27502:20292 462.29987:302772 480.31244:1085584 484.28137:87172 502.29913:64812 768.55853:293889"},{"Metabolite":"PE 38:4|PE 18:0_20:4","Alignment ID":"2923","Average Rt(min)":"11.014","Average Mz":"766.53754","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"10.03","Reference m/z":"766.53918","Formula":"C43H78NO8P","Ontology":"PE","INCHIKEY":"YEHAZLUVAZKVRO-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"32.9","Reverse dot product":"42.1","Fragment presence %":"100","S/N average":"43544.7","Spectrum reference file name":"210226_Hamze_MM-1835_033n","MS1 isotopic spectrum":"766.5376:519269376 767.54095:557303424 768.54431:152604448","MS/MS spectrum":"140.0121:77072 142.01491:29304 152.99422:14382 163.07515:16198 168.04227:397615 177.09279:20466 177.16367:18153 178.168:16621 192.18372:12074 196.03668:54439 197.03955:28706 198.04117:33692 205.19554:194682 217.19795:15991 224.06898:361001 229.19336:25398 230.19881:51689 231.20712:40117 242.08119:40603 255.23157:4902723 256.23709:618281 257.23972:447111 258.2438:181910 259.24478:864105 279.23508:107984 280.23474:73378 281.23978:24313 283.24054:120183 284.24637:243461 285.25238:183510 286.25336:77432 287.25958:14911 301.21976:20164 303.23367:7743281 304.23398:16688 305.25067:47693 306.24948:51031 307.25897:24218 327.23108:108265 328.23758:310472 329.24234:282974 330.24527:180025 331.24631:54257 436.27069:12581 453.27731:28811 454.28406:72478 455.28375:64038 456.28671:26604 462.30005:78247 480.31262:456649 510.29846:15488 528.31238:13541 766.52679:50249"},{"Metabolite":"PE 38:5|PE 16:0_22:5","Alignment ID":"2902","Average Rt(min)":"11.361","Average Mz":"764.52216","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"9.39","Reference m/z":"764.52362","Formula":"C43H76NO8P","Ontology":"PE","INCHIKEY":"BXSFSSDQHFBPDQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"81.3","Reverse dot product":"62.4","Fragment presence %":"100","S/N average":"416155.53","Spectrum reference file name":"210226_Hamze_MM-1835_116n","MS1 isotopic spectrum":"764.52454:2902509824 765.52789:2879347456 766.53125:820867136","MS/MS spectrum":"122.00151:37334 140.01205:520676 152.99622:18607 155.10658:11697 163.0751:15355 177.09276:16720 178.0276:16865 178.27271:31701 179.18086:23037 191.10692:16407 196.03664:482615 205.12292:25652 205.19548:34486 209.15582:15506 214.05:48466 229.19704:15258 231.21083:155278 243.20932:13567 245.1553:16596 251.20386:88918 253.21648:11654 255.23151:6218747 256.23703:83119 257.23523:30894 259.24472:88410 279.23502:82557 281.24982:527052 283.24557:30878 284.24628:47281 285.25748:1056052 303.23361:992825 305.25061:122750 311.24103:70656 322.77719:13858 327.23102:50888 328.23752:54727 329.24869:10325809 331.26566:12243 434.27179:130987 452.28415:558271 453.27722:12470 478.29578:41370 508.28687:37431 526.29712:18926 573.93896:11088 764.52539:101224"},{"Metabolite":"PE 38:6|PE 16:0_22:6","Alignment ID":"2879","Average Rt(min)":"10.236","Average Mz":"762.50684","Adduct type":"[M-H]-","Fill %":"0.572","MS/MS assigned":"TRUE","Reference RT":"8.99","Reference m/z":"762.50787","Formula":"C43H74NO8P","Ontology":"PE","INCHIKEY":"MPWUZHVZZKSTPV-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"20.8","Reverse dot product":"72","Fragment presence %":"100","S/N average":"365.65","Spectrum reference file name":"210226_Hamze_MM-1835_096n","MS1 isotopic spectrum":"762.50757:2598564 763.51092:1774031 764.51428:1004797","MS/MS spectrum":"121.1022:8403 135.11732:8708 149.1331:6882 150.75354:7007 152.99617:11836 159.71365:7020 163.14888:11729 168.04219:111962 175.15034:9667 177.16357:15153 191.18063:12657 201.16566:18278 206.0629:8946 224.06888:91292 227.20201:839280 227.90227:7575 229.19698:61765 242.08107:17498 249.18549:18299 251.20378:95105 253.21642:166594 255.23581:177270 257.23074:10343 259.24466:23537 269.25061:115458 270.2543:78517 281.24976:131098 282.25006:83924 283.24551:274063 299.20343:43056 301.2196:26912 303.23352:185400 327.23093:401510 434.26196:11224 452.27371:74184 480.31238:19274 688.54053:26802 762.53174:33100"},{"Metabolite":"PE 38:7|PE 16:1_22:6","Alignment ID":"2861","Average Rt(min)":"10.509","Average Mz":"760.49146","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"8.54","Reference m/z":"760.49231","Formula":"C43H72NO8P","Ontology":"PE","INCHIKEY":"PMUXXFUNXMXIFC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"68.4","Reverse dot product":"59.6","Fragment presence %":"100","S/N average":"1360.51","Spectrum reference file name":"210226_Hamze_MM-1835_130n","MS1 isotopic spectrum":"760.49213:76538632 761.49548:72400584 762.49884:19547096","MS/MS spectrum":"96.96928:12591 117.07052:16784 119.08591:11516 121.10226:29035 122.00009:22750 133.10146:33846 135.1174:28718 137.13292:19982 140.01031:308743 143.08575:10458 147.11632:21478 149.13318:32799 152.99625:121494 161.13396:16704 163.07515:19586 163.14896:39268 168.04227:17451 175.14793:16581 177.16367:82604 178.02765:9613 189.16466:15573 191.18073:53707 196.03668:311135 203.18121:9232 205.80283:9398 214.04669:26346 229.19708:290989 241.19394:14405 249.18561:62329 253.21654:4084927 255.23157:61436 277.21704:42415 279.23007:21154 281.24988:59121 283.24054:1396244 301.21976:14016 303.23367:74825 309.2229:33968 327.23108:2127042 389.20837:16426 391.22781:25115 417.24136:13913 419.26184:93349 432.24817:79531 435.25494:10652 437.27036:44787 450.26682:408712 506.26291:14389 516.26654:9626 524.28076:13049 673.48669:28393 677.93744:9197 686.52783:13914 703.54413:52806 760.50146:24358"},{"Metabolite":"PE 39:1|PE 21:0_18:1","Alignment ID":"3090","Average Rt(min)":"14.106","Average Mz":"786.60315","Adduct type":"[M-H]-","Fill %":"0.91","MS/MS assigned":"TRUE","Reference RT":"12.59","Reference m/z":"786.60181","Formula":"C44H86NO8P","Ontology":"PE","INCHIKEY":"WYPHFJFDOOPRTG-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"85.5","RT similarity":"100","Dot product":"27.6","Reverse dot product":"27","Fragment presence %":"100","S/N average":"741.99","Spectrum reference file name":"210226_Hamze_MM-1835_047n","MS1 isotopic spectrum":"786.60101:2353746 787.60436:1670720 788.60772:709642","MS/MS spectrum":"154.06232:7855 168.04214:116639 169.04767:10633 178.24193:26201 255.23137:77281 281.24966:1668917 300.8718:9994 309.28107:197484 311.29395:41807 325.31354:21646 337.30908:29671 494.36826:14533 504.38437:71071 522.39075:141154 786.64655:337712"},{"Metabolite":"PE 39:4|PE 19:0_20:4","Alignment ID":"3044","Average Rt(min)":"12.502","Average Mz":"780.55499","Adduct type":"[M-H]-","Fill %":"0.938","MS/MS assigned":"TRUE","Reference RT":"10.46","Reference m/z":"780.55487","Formula":"C44H80NO8P","Ontology":"PE","INCHIKEY":"OFDOGRFSVOUXHN-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"88","Reverse dot product":"62.1","Fragment presence %":"100","S/N average":"18401.34","Spectrum reference file name":"210226_Hamze_MM-1835_029n","MS1 isotopic spectrum":"780.55481:196343984 781.55816:217670000 782.56152:57407464","MS/MS spectrum":"122.00153:81463 140.01208:1294989 163.07736:59608 177.09277:65233 178.02763:45665 178.24716:80679 191.10693:65099 196.03665:1363325 205.19551:737770 214.05003:133887 217.19792:37627 231.21086:97327 257.22641:37283 259.24475:3277716 267.21307:35996 285.22131:261849 297.27911:18809498 301.21411:55302 303.23364:34648976 304.23395:50880 331.26569:183286 332.26486:262339 333.26859:154512 476.31412:428480 482.26248:104258 494.32138:2150980 500.27475:85270 780.54736:321564"},{"Metabolite":"PE 40:4|PE 18:0_22:4","Alignment ID":"3154","Average Rt(min)":"11.814","Average Mz":"794.57025","Adduct type":"[M-H]-","Fill %":"0.993","MS/MS assigned":"TRUE","Reference RT":"10.87","Reference m/z":"794.5705","Formula":"C45H82NO8P","Ontology":"PE","INCHIKEY":"TVACGFJBGVEGCR-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"19.3","Reverse dot product":"56.2","Fragment presence %":"100","S/N average":"15639.72","Spectrum reference file name":"210226_Hamze_MM-1835_046n","MS1 isotopic spectrum":"794.57019:509422112 795.57354:499608224 796.5769:129701168","MS/MS spectrum":"168.04218:248854 177.09268:12007 178.27008:31119 196.03951:11107 205.19542:108979 224.06885:232210 231.21452:12478 242.08104:22580 255.23141:297965 256.23694:55549 257.23956:20205 259.24463:414663 261.25964:32513 279.23489:49695 281.24973:829655 282.25006:54028 283.26596:2385034 285.22116:28948 286.26358:19249 287.26987:18599 303.23349:3986799 305.2276:64242 305.25049:1211113 307.26456:11202 329.24857:18987 330.25153:53607 331.26553:286681 332.25821:18480 462.29977:11488 480.31235:26925 488.32272:9942 490.33331:44673 506.32376:32197 508.34821:200606 510.29816:10094 794.57086:34215"},{"Metabolite":"PE 40:5|PE 18:0_22:5","Alignment ID":"3136","Average Rt(min)":"12.421","Average Mz":"792.55542","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"10.11","Reference m/z":"792.55487","Formula":"C45H80NO8P","Ontology":"PE","INCHIKEY":"KYERVKWKQQBRQB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"76.8","Reverse dot product":"62.3","Fragment presence %":"100","S/N average":"17488.77","Spectrum reference file name":"210226_Hamze_MM-1835_043n","MS1 isotopic spectrum":"792.55328:169377280 793.55663:159094672 794.55999:49902296","MS/MS spectrum":"122.00156:23321 140.01213:372158 151.14992:13857 152.99628:14327 163.07741:23776 163.14899:14009 165.16554:10783 177.09283:11907 177.1637:26024 178.26767:53248 179.18094:32438 191.17793:12134 193.19753:9896 196.03671:324985 205.19557:26731 214.05009:28606 217.12241:15240 231.21094:345487 243.20943:25670 251.19969:61760 255.23161:53310 257.2265:53267 259.24484:16903 281.2449:24248 283.26617:4455929 284.27216:13333 285.2576:1793848 299.237:18112 301.21982:78386 303.23373:159646 309.28137:67839 311.23529:38358 311.29425:65634 327.23114:17554 329.24884:5026894 331.26581:9785 462.30014:114140 480.31274:532222 508.27478:19903 526.29736:13540 792.55536:50121"},{"Metabolite":"PE 40:6|PE 18:0_22:6","Alignment ID":"3120","Average Rt(min)":"11.882","Average Mz":"790.53955","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"9.87","Reference m/z":"790.53918","Formula":"C45H78NO8P","Ontology":"PE","INCHIKEY":"XYYHNDVKALDFHQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"86.6","Reverse dot product":"62","Fragment presence %":"100","S/N average":"379164.41","Spectrum reference file name":"210226_Hamze_MM-1835_009n","MS1 isotopic spectrum":"790.53961:1719452032 791.54296:1551304192 792.54632:457835424","MS/MS spectrum":"121.1022:17917 122.00148:16626 133.10138:15398 135.11732:27811 140.01202:231922 147.11816:13462 149.1331:24682 161.13388:15132 163.07506:16717 163.14886:21562 168.04219:12825 175.14786:16814 177.16357:59633 178.26753:36747 191.18063:39591 196.03658:226547 201.16566:10229 203.18111:18934 214.04994:13126 229.19698:199090 241.19783:15104 249.18549:56549 255.23581:18497 283.26599:2401828 309.22275:17633 327.23093:1598779 329.2486:14852 332.7139:11546 462.2998:69410 480.31238:310979 506.2749:12840 524.28046:11545 684.4079:9716 730.58673:20602 790.54626:22617"},{"Metabolite":"PE 41:4|PE 19:0_22:4","Alignment ID":"3284","Average Rt(min)":"13.15","Average Mz":"808.58533","Adduct type":"[M-H]-","Fill %":"0.69","MS/MS assigned":"TRUE","Reference RT":"11.51","Reference m/z":"808.58618","Formula":"C46H84NO8P","Ontology":"PE","INCHIKEY":"ZFCUBAFNGIASOB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"50.9","Reverse dot product":"60","Fragment presence %":"100","S/N average":"259.43","Spectrum reference file name":"210226_Hamze_MM-1835_121n","MS1 isotopic spectrum":"808.58789:3531594 809.59124:3508894 810.5946:958655","MS/MS spectrum":"140.01019:26362 165.9912:8135 178.27002:26181 196.0365:32400 255.23134:54792 256.23688:40332 259.24457:13450 279.23483:9698 287.27502:42733 297.27887:438314 303.2334:118198 304.2337:9274 305.24469:10646 311.29388:50074 331.26544:1165562 333.27484:22646 359.29404:84002 494.35638:24252 522.36505:10036 527.77771:9846 808.58081:20442"},{"Metabolite":"PE O-34:1|PE O-18:1_16:0","Alignment ID":"2289","Average Rt(min)":"10.967","Average Mz":"702.54486","Adduct type":"[M-H]-","Fill %":"0.538","MS/MS assigned":"TRUE","Reference RT":"11.17","Reference m/z":"702.54431","Formula":"C39H78NO7P","Ontology":"EtherPE","INCHIKEY":"HEASGCOZOMIKFU-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"51.1","Reverse dot product":"71.8","Fragment presence %":"100","S/N average":"403.59","Spectrum reference file name":"210226_Hamze_MM-1835_016n","MS1 isotopic spectrum":"702.54474:7947941 703.54809:7359846 704.55145:3154732","MS/MS spectrum":"125.00007:65897 152.99625:317500 178.27275:13926 181.02603:46280 255.23157:951424 256.23709:683862 267.26941:46199 281.24991:1562564 282.25021:1337460 283.26102:108206 284.26694:88675 375.22696:55776 378.24176:42235 393.23788:35328 403.26337:183425 419.25266:13553 420.25912:25979 421.26923:129987 434.27191:52411 437.27039:40047 438.2735:53705 462.30005:29244 463.28348:16001 464.29144:17003 702.5434:2945767"},{"Metabolite":"PE O-36:3|PE O-18:2_18:1","Alignment ID":"2534","Average Rt(min)":"12.536","Average Mz":"726.54474","Adduct type":"[M-H]-","Fill %":"0.814","MS/MS assigned":"TRUE","Reference RT":"10.61","Reference m/z":"726.54431","Formula":"C41H78NO7P","Ontology":"EtherPE","INCHIKEY":"CFANDHZPOSNKNO-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"59.4","Reverse dot product":"67.3","Fragment presence %":"100","S/N average":"5818.16","Spectrum reference file name":"210226_Hamze_MM-1835_085n","MS1 isotopic spectrum":"726.5448:14133917 727.54815:12994334 728.55151:3366892","MS/MS spectrum":"140.01204:12109 155.73065:8099 196.03661:12807 279.22995:19616 281.24979:1244248 283.26602:12338 284.91116:8807 305.25058:72706 444.28467:57450 462.29987:110948 629.7442:10004 726.55396:30048"},{"Metabolite":"PE O-37:5|PE O-17:1_20:4","Alignment ID":"2645","Average Rt(min)":"11.975","Average Mz":"736.52954","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"10.15","Reference m/z":"736.52869","Formula":"C42H76NO7P","Ontology":"EtherPE","INCHIKEY":"SUCZWPZZJOWHRI-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"58.4","Reverse dot product":"69.7","Fragment presence %":"100","S/N average":"1748.55","Spectrum reference file name":"210226_Hamze_MM-1835_028n","MS1 isotopic spectrum":"736.52979:11625788 737.53314:14979129 738.5365:3350232","MS/MS spectrum":"133.71356:7545 140.01207:13625 196.03664:17386 205.1955:19750 207.65054:8667 240.44756:8244 259.24475:93266 289.21408:9239 303.23361:845725 432.28671:67432 450.29752:168159 736.51715:23199"},{"Metabolite":"PE O-38:4|PE O-18:0_20:4","Alignment ID":"2795","Average Rt(min)":"11.551","Average Mz":"752.56006","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"11.26","Reference m/z":"752.56","Formula":"C43H80NO7P","Ontology":"EtherPE","INCHIKEY":"RXEVLILBESBJQS-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"72.5","Reverse dot product":"60.8","Fragment presence %":"100","S/N average":"785.14","Spectrum reference file name":"210226_Hamze_MM-1835_115n","MS1 isotopic spectrum":"752.56006:6644413 753.56341:6879714 754.56677:1814176","MS/MS spectrum":"122.00152:10955 140.01207:139426 152.99419:12848 163.07735:19406 168.04224:49154 177.09276:19235 191.10692:22409 196.03664:102403 205.1955:235184 214.04665:16229 217.19447:14047 231.21085:28333 255.23589:19902 259.24472:1018357 269.25067:1590846 281.24985:36110 285.22128:72937 291.23129:60403 297.51587:12330 301.2197:23634 303.23361:9968416 304.23392:17942 304.82733:12562 305.2449:28231 309.11777:15707 377.24847:76860 395.26331:23802 448.32394:456267 466.32816:1280349 702.66321:10379 752.54785:86878"},{"Metabolite":"PE O-39:5|PE O-17:1_22:4","Alignment ID":"2906","Average Rt(min)":"12.6","Average Mz":"764.56097","Adduct type":"[M-H]-","Fill %":"0.917","MS/MS assigned":"TRUE","Reference RT":"10.98","Reference m/z":"764.56","Formula":"C44H80NO7P","Ontology":"EtherPE","INCHIKEY":"RPPJUEYPBFQDCZ-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"73.7","Reverse dot product":"62.2","Fragment presence %":"100","S/N average":"332.63","Spectrum reference file name":"210226_Hamze_MM-1835_143n","MS1 isotopic spectrum":"764.55975:8204570 765.5631:8399357 766.56646:1942640","MS/MS spectrum":"125.09602:12404 140.01195:53835 178.24699:87317 179.03401:10196 187.09764:8416 196.03647:50909 205.19531:9912 217.7314:8354 218.87424:8666 233.22815:16287 253.2552:16304 255.23129:24153 259.24451:23271 281.24957:69073 285.25723:12830 287.27496:88617 303.23334:235681 319.26309:30132 329.24838:41358 331.26535:2368306 432.28632:127383 450.29712:307185 478.32907:11903 637.76044:10729 764.54742:23557"},{"Metabolite":"PE O-39:7|PE O-17:1_22:6","Alignment ID":"2864","Average Rt(min)":"11.919","Average Mz":"760.52789","Adduct type":"[M-H]-","Fill %":"0.959","MS/MS assigned":"TRUE","Reference RT":"9.96","Reference m/z":"760.52869","Formula":"C44H76NO7P","Ontology":"EtherPE","INCHIKEY":"ZSLBASAVMDNZHV-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"32.1","Reverse dot product":"47.5","Fragment presence %":"100","S/N average":"1590.66","Spectrum reference file name":"210226_Hamze_MM-1835_043n","MS1 isotopic spectrum":"760.52838:6367004 761.53173:6455068 762.53509:1810414","MS/MS spectrum":"95.99251:5547 98.20724:5468 102.53883:5298 104.80655:5937 108.37544:5795 138.4528:6671 140.01035:12707 158.44064:7011 168.04231:9010 172.87811:8114 178.27278:48050 196.03671:10973 229.19714:26452 269.24606:36884 270.24973:49634 271.25424:19111 281.24994:116016 282.25027:127395 283.2457:140975 309.22296:8924 327.23114:193615 432.28687:49886 450.2977:134612 563.03943:10792 760.61426:31446"},{"Metabolite":"PE O-40:5|PE O-18:1_22:4","Alignment ID":"3026","Average Rt(min)":"19.008","Average Mz":"778.57593","Adduct type":"[M-H]-","Fill %":"0.517","MS/MS assigned":"TRUE","Reference RT":"11.61","Reference m/z":"778.57562","Formula":"C45H82NO7P","Ontology":"EtherPE","INCHIKEY":"YARMYJKPPFMPIW-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.7","Dot product":"35.2","Reverse dot product":"49.4","Fragment presence %":"100","S/N average":"14.56","Spectrum reference file name":"210226_Hamze_MM-1835_072n","MS1 isotopic spectrum":"778.57623:291518 779.57958:205994 780.58294:54460","MS/MS spectrum":"98.91529:6159 103.76937:5869 110.18822:5961 133.99123:7582 202.05397:7478 238.35559:8762 249.07578:8852 279.23499:69604 281.24982:40254 287.27518:10777 308.03525:10123 331.14914:8314 331.26562:214993 334.638:8775 446.30252:19752 464.31277:27681 718.58771:73523 778.6308:29793"},{"Metabolite":"PE O-44:5|PE O-24:1_20:4","Alignment ID":"3500","Average Rt(min)":"14.644","Average Mz":"834.63849","Adduct type":"[M-H]-","Fill %":"0.966","MS/MS assigned":"TRUE","Reference RT":"13.08","Reference m/z":"834.63818","Formula":"C49H90NO7P","Ontology":"EtherPE","INCHIKEY":"USTAHZKCYISLGJ-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"57.9","Reverse dot product":"74","Fragment presence %":"100","S/N average":"70.03","Spectrum reference file name":"210226_Hamze_MM-1835_110n","MS1 isotopic spectrum":"834.63867:1402010 835.64202:1272829 836.64538:410286","MS/MS spectrum":"106.30154:5392 111.11429:5483 156.81091:7211 178.26764:16734 205.19554:13211 250.04944:8103 255.23158:19699 259.24033:40996 283.26614:17303 303.2337:392363 357.2774:11776 530.3916:23489 548.41248:65736 834.6474:17651"},{"Metabolite":"PG 32:2|PG 16:1_16:1","Alignment ID":"2432","Average Rt(min)":"9.356","Average Mz":"717.47168","Adduct type":"[M-H]-","Fill %":"0.945","MS/MS assigned":"TRUE","Reference RT":"8.15","Reference m/z":"717.47119","Formula":"C38H71O10P","Ontology":"PG","INCHIKEY":"GHQNERCMPIDAAU-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"60.9","Reverse dot product":"60.6","Fragment presence %":"100","S/N average":"476.5","Spectrum reference file name":"210226_Hamze_MM-1835_102n","MS1 isotopic spectrum":"717.47125:9260320 718.4746:6072614 719.47796:1802894","MS/MS spectrum":"152.99619:76008 206.6964:9961 225.18584:64921 227.20204:37504 253.21645:5242772 279.23495:27195 281.24979:57567 309.28119:19778 310.28812:14200 463.25116:23222 481.26324:31352 540.5011:11952 717.47211:106521"},{"Metabolite":"PG 34:2|PG 16:1_18:1","Alignment ID":"2728","Average Rt(min)":"9.749","Average Mz":"745.50146","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"8.31","Reference m/z":"745.5025","Formula":"C40H75O10P","Ontology":"PG","INCHIKEY":"VCYYBLIRAQBPTM-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"76.3","Reverse dot product":"73.7","Fragment presence %":"100","S/N average":"16171.57","Spectrum reference file name":"210226_Hamze_MM-1835_044n","MS1 isotopic spectrum":"745.50177:35763560 746.50512:26963712 747.50848:7897704","MS/MS spectrum":"152.99626:94072 171.00447:8494 178.2702:45267 204.04846:8903 209.74171:10082 253.21657:3715652 254.22325:18544 255.23158:58048 279.23511:123912 280.23474:55424 281.24991:3699048 332.29095:8312 338.31598:9157 417.83685:11108 463.2514:19544 481.26346:26067 491.2793:19048 509.28513:16320 607.99518:10028 745.50513:141367"},{"Metabolite":"PG 34:3|PG 16:1_18:2","Alignment ID":"2708","Average Rt(min)":"9.46","Average Mz":"743.48676","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"8.15","Reference m/z":"743.48688","Formula":"C40H73O10P","Ontology":"PG","INCHIKEY":"PTJBFPPEYDFAAQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"77","Reverse dot product":"72.4","Fragment presence %":"100","S/N average":"1789.89","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"743.48608:11883869 744.48943:11826076 745.49279:3167536","MS/MS spectrum":"152.99615:59483 178.24707:43376 253.21638:2666488 279.23489:2680298 280.23456:15125 463.25107:10588 481.26312:22341 489.26254:10345 507.267:18298 743.49799:83689"},{"Metabolite":"PG 35:2|PG 17:1_18:1","Alignment ID":"2853","Average Rt(min)":"9.966","Average Mz":"759.51831","Adduct type":"[M-H]-","Fill %":"0.883","MS/MS assigned":"TRUE","Reference RT":"8.6","Reference m/z":"759.51819","Formula":"C41H77O10P","Ontology":"PG","INCHIKEY":"XSAFRXKUAFDXEW-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"74.5","Reverse dot product":"74.1","Fragment presence %":"100","S/N average":"1801.73","Spectrum reference file name":"210226_Hamze_MM-1835_132n","MS1 isotopic spectrum":"759.51666:10202556 760.52001:9523484 761.52337:2363482","MS/MS spectrum":"125.98572:6509 136.47495:7237 152.99423:67354 178.27531:25129 221.19791:8540 253.21657:47208 255.2316:12447 267.2319:2401416 268.23376:22818 269.24603:42321 279.2301:81258 280.23477:41267 281.24994:2409441 295.22614:14624 295.26425:46528 405.93726:9124 477.26437:14211 491.27933:14577 495.26688:16440 509.28513:17024 759.51172:87119"},{"Metabolite":"PG 36:3|PG 18:1_18:2","Alignment ID":"2965","Average Rt(min)":"9.86","Average Mz":"771.51758","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"8.24","Reference m/z":"771.51819","Formula":"C42H77O10P","Ontology":"PG","INCHIKEY":"FSVTVWTVWNNIQX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"75.5","Reverse dot product":"73.8","Fragment presence %":"100","S/N average":"10319.6","Spectrum reference file name":"210226_Hamze_MM-1835_037n","MS1 isotopic spectrum":"771.51752:192316144 772.52087:218354928 773.52423:61827648","MS/MS spectrum":"152.99422:114102 171.00687:21302 178.27275:24808 248.50703:9824 253.21655:13602 279.23508:4725546 280.23474:411841 281.24991:4508998 284.41623:10840 307.26477:16351 489.26288:18306 491.27927:23474 507.27957:27738 508.11478:10039 509.2851:41174 622.89496:10121 771.51843:166308"},{"Metabolite":"PG 36:4|PG 18:2_18:2","Alignment ID":"2949","Average Rt(min)":"9.826","Average Mz":"769.5022","Adduct type":"[M-H]-","Fill %":"0.862","MS/MS assigned":"TRUE","Reference RT":"8","Reference m/z":"769.5025","Formula":"C42H75O10P","Ontology":"PG","INCHIKEY":"AKWGRDPPGYFWIW-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"70.1","Reverse dot product":"76.6","Fragment presence %":"100","S/N average":"6326.59","Spectrum reference file name":"210226_Hamze_MM-1835_001n","MS1 isotopic spectrum":"769.50262:13357691 770.50597:16632239 771.50933:186374640","MS/MS spectrum":"129.27362:7464 152.99631:122399 171.00693:46797 209.01961:13079 227.03316:19953 255.23166:40838 277.21713:25711 279.23517:2527420 281.25:26173 283.96881:9430 303.2338:41094 305.25079:19577 340.23499:8961 341.13971:9514 415.2265:42143 489.26303:46707 507.27975:61735 615.46771:11225 769.49786:146628"},{"Metabolite":"PG 39:7|PG 17:1_22:6","Alignment ID":"3263","Average Rt(min)":"10.882","Average Mz":"805.50269","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"8.31","Reference m/z":"805.5025","Formula":"C45H75O10P","Ontology":"PG","INCHIKEY":"CKGWUUBZGUCGNO-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"92.4","RT similarity":"100","Dot product":"21","Reverse dot product":"37.1","Fragment presence %":"100","S/N average":"3147.7","Spectrum reference file name":"210226_Hamze_MM-1835_124n","MS1 isotopic spectrum":"805.50275:19800368 806.5061:20610148 807.50946:5713128","MS/MS spectrum":"121.10213:9050 122.9854:74208 135.11726:17100 147.11809:8834 149.13303:9837 163.14879:11032 177.16348:23839 178.26746:108013 183.00589:14452 191.18054:12960 229.19685:99162 249.18536:33467 255.23131:1198311 256.23685:30423 267.2316:14725 279.2348:16882 281.2496:22581 282.25504:22305 283.24536:524854 284.24606:11254 309.2226:12026 311.29385:37331 312.2988:22395 313.30264:15059 327.23074:721101 328.23727:13783 330.02597:8908 341.24753:11223 342.25146:15401 380.29538:10303 495.27814:31288 508.63116:8990 548.75677:10483"},{"Metabolite":"PG 40:6|PG 18:1_22:5","Alignment ID":"3375","Average Rt(min)":"9.856","Average Mz":"821.53339","Adduct type":"[M-H]-","Fill %":"0.51","MS/MS assigned":"TRUE","Reference RT":"8.44","Reference m/z":"821.53381","Formula":"C46H79O10P","Ontology":"PG","INCHIKEY":"JAMPNNNOPHDTDM-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"61.9","Reverse dot product":"67.3","Fragment presence %":"100","S/N average":"3237.86","Spectrum reference file name":"210226_Hamze_MM-1835_128n","MS1 isotopic spectrum":"821.53339:60344584 822.53674:63543584 823.5401:19930852","MS/MS spectrum":"152.99417:312494 169.12331:13896 171.00682:18937 177.16615:8782 195.13794:8562 205.12291:12486 209.01947:15930 210.23825:9254 227.03302:20701 231.21083:90620 251.19957:40813 277.21698:12997 279.23499:1064795 281.24982:10108483 282.25015:141054 283.2507:65036 284.24628:26442 285.25748:599932 287.27521:27250 303.23358:42718 305.25061:315898 307.26468:69931 311.23514:39599 327.23099:48323 328.23752:47672 329.24866:6691222 331.23328:20806 331.26562:955118 333.28159:15159 343.49234:9579 422.64645:9436 435.24509:9215 491.27914:16439 509.28494:49099 539.03357:10909 539.27551:16466 557.28839:42335 821.52234:148080"},{"Metabolite":"PI 38:2|PI 18:0_20:2","Alignment ID":"3968","Average Rt(min)":"11.169","Average Mz":"889.57953","Adduct type":"[M-H]-","Fill %":"0.566","MS/MS assigned":"TRUE","Reference RT":"8.97","Reference m/z":"889.58118","Formula":"C47H87O13P","Ontology":"PI","INCHIKEY":"RZFIPFIGUWXYNB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"75.5","Reverse dot product":"89.2","Fragment presence %":"100","S/N average":"10573.21","Spectrum reference file name":"210226_Hamze_MM-1835_037n","MS1 isotopic spectrum":"889.57996:82893120 890.58331:115586944 891.58667:42494588","MS/MS spectrum":"96.96929:18759 152.99625:345667 178.24463:58470 222.99966:239919 241.01306:1009604 259.02084:94394 279.23007:26925 281.24991:57520 283.26611:1222981 284.26694:10385 297.03714:168456 307.26477:1296805 309.28131:73237 311.29419:41745 315.0488:61594 333.32742:9612 335.29633:11418 337.30933:71599 338.31598:58033 383.32361:9154 412.39743:9404 419.25266:450374 437.27039:34489 443.26105:62869 445.27188:24531 447.28625:18918 485.45081:9450 581.30219:402672 599.31665:99307 605.31592:87952 607.31964:12950 623.31244:19911 889.56647:1624146"},{"Metabolite":"PI 38:3|PI 18:0_20:3","Alignment ID":"3943","Average Rt(min)":"10.751","Average Mz":"887.56409","Adduct type":"[M-H]-","Fill %":"0.524","MS/MS assigned":"TRUE","Reference RT":"8.73","Reference m/z":"887.56549","Formula":"C47H85O13P","Ontology":"PI","INCHIKEY":"GGSSNEAFVQRIHU-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"FALSE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"80","Reverse dot product":"88.1","Fragment presence %":"100","S/N average":"203129.66","Spectrum reference file name":"210226_Hamze_MM-1835_001n","MS1 isotopic spectrum":"887.56488:1657358464 888.56823:1512403328 889.57159:503282240","MS/MS spectrum":"134.98433:300997 152.99631:8037810 171.00693:169212 204.99063:112505 222.99974:7166793 241.01314:30641882 259.02094:2911417 261.25989:185556 281.25:163210 283.26624:40422352 284.26703:140534 285.26801:75191 287.2388:145094 297.03726:5369726 303.2338:170072 305.25079:43490840 307.26486:189931 315.04889:1940806 419.25278:14778303 437.27054:1172979 441.24408:1942757 459.25235:82436 525.28772:99089 579.29114:88374 581.30237:14641951 599.31683:4064060 603.29047:3018500 621.29584:414248 672.99933:79673 725.50427:165384 887.57605:49527988"},{"Metabolite":"PI 38:5|PI 18:1_20:4","Alignment ID":"3905","Average Rt(min)":"9.994","Average Mz":"883.53259","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"8.2","Reference m/z":"883.53418","Formula":"C47H81O13P","Ontology":"PI","INCHIKEY":"XGZVRASBCZTHNO-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"75.7","Reverse dot product":"85.8","Fragment presence %":"100","S/N average":"49174.39","Spectrum reference file name":"210226_Hamze_MM-1835_049n","MS1 isotopic spectrum":"883.53503:1081075072 884.53838:1036830144 885.54174:351296576","MS/MS spectrum":"134.98415:155478 152.99611:5909636 163.07722:50013 171.0067:124024 178.27513:91965 204.99036:61384 205.19534:568662 223.00302:4840582 231.21068:66477 241.01282:22156296 255.23132:882874 259.0206:2140431 259.24454:2564746 276.13959:41629 279.2348:72857 281.24963:29709948 285.22107:192259 286.50284:36989 297.03687:3881768 297.52115:40083 301.21945:36467 303.2334:29542362 304.23938:41772 305.2504:91475 315.04849:1599634 329.24844:798885 391.22745:375862 417.24097:10049338 435.25452:828892 439.23022:951778 465.24847:42071 523.26349:81076 553.28418:271972 571.29041:110651 579.29041:9853334 597.30475:3285385 601.27423:1979291 619.28802:260439 627.29071:58712 721.49158:57918 883.52881:28448920"},{"Metabolite":"PI 39:3|PI 19:0_20:3","Alignment ID":"4066","Average Rt(min)":"11.136","Average Mz":"901.57916","Adduct type":"[M-H]-","Fill %":"0.855","MS/MS assigned":"TRUE","Reference RT":"9.02","Reference m/z":"901.58118","Formula":"C48H87O13P","Ontology":"PI","INCHIKEY":"SQLHFCSXIRZAAK-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"71.8","Reverse dot product":"88.2","Fragment presence %":"100","S/N average":"3606.63","Spectrum reference file name":"210226_Hamze_MM-1835_079n","MS1 isotopic spectrum":"901.58221:25757886 902.58556:19099840 903.58892:7134354","MS/MS spectrum":"152.99611:255833 178.27258:49404 222.99945:204725 241.01283:891499 255.03006:13524 259.0206:66186 279.23483:11300 283.26587:290578 295.26941:8998 297.03687:142248 297.27887:913983 303.2334:10077 305.2504:989462 315.04849:53100 319.26312:297947 380.7417:9333 419.26147:95874 433.2724:261700 441.2435:31459 451.28372:19258 581.30164:73625 595.31915:266358 599.33185:25878 603.28973:55560 613.34119:72910 617.30713:15342 621.31171:9997 901.59381:1183550"},{"Metabolite":"PI 39:4|PI 19:0_20:4","Alignment ID":"4050","Average Rt(min)":"10.524","Average Mz":"899.56262","Adduct type":"[M-H]-","Fill %":"0.545","MS/MS assigned":"TRUE","Reference RT":"8.72","Reference m/z":"899.56549","Formula":"C48H85O13P","Ontology":"PI","INCHIKEY":"XVUQPQHEPXKWNS-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"55.9","Reverse dot product":"87.4","Fragment presence %":"100","S/N average":"987.69","Spectrum reference file name":"210226_Hamze_MM-1835_033n","MS1 isotopic spectrum":"899.56256:11446132 900.56591:8395359 901.56927:3377843","MS/MS spectrum":"115.69017:7410 128.50688:6740 140.558:6757 144.50948:6895 152.99422:85153 178.24719:48206 180.77785:8793 222.99966:48911 224.00418:11511 241.00903:198384 242.01649:52517 243.01401:28128 249.62967:8519 255.02592:17493 259.02084:20158 259.24478:17498 267.26001:8291 269.25073:19651 270.24966:24149 279.23007:11517 281.24988:25984 295.26422:141314 296.2691:134618 297.03714:33464 297.26813:38496 298.04007:9858 303.23367:153815 304.23398:129163 305.23923:73197 315.04877:10514 329.24875:12736 330.25171:11608 431.25604:30463 432.25784:49244 433.26309:31072 593.31293:19154 594.30731:45043 595.3197:53634 611.3244:11667 613.32544:14740 899.56342:371407"},{"Metabolite":"PI 40:5|PI 18:0_22:5","Alignment ID":"4152","Average Rt(min)":"10.768","Average Mz":"911.56451","Adduct type":"[M-H]-","Fill %":"0.545","MS/MS assigned":"TRUE","Reference RT":"8.52","Reference m/z":"911.56549","Formula":"C49H85O13P","Ontology":"PI","INCHIKEY":"QLABQLNIHHHJCI-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"75.7","Reverse dot product":"87","Fragment presence %":"100","S/N average":"17806.22","Spectrum reference file name":"210226_Hamze_MM-1835_053n","MS1 isotopic spectrum":"911.565:183046912 912.56835:180398128 913.57171:65411400","MS/MS spectrum":"134.98593:12360 152.99622:519551 163.07735:8299 171.00682:8207 175.4644:8099 178.27269:13706 205.48299:8054 214.79166:9406 222.9996:378196 231.21083:105382 241.013:1876066 251.19957:10969 259.02078:180566 283.26605:2250632 285.25748:609908 297.03708:309877 303.23361:46893 309.28122:46281 311.23514:14436 315.04871:127148 329.24869:2035923 336.86404:10223 419.25253:775001 437.27026:61091 445.27176:14933 465.23804:55908 525.28741:10044 568.70465:9109 581.30206:787130 599.31647:308455 627.2912:132841 645.29761:19968 911.55896:2373597"},{"Metabolite":"PI 42:7|PI 20:1_22:6","Alignment ID":"4359","Average Rt(min)":"10.341","Average Mz":"935.56232","Adduct type":"[M-H]-","Fill %":"0.531","MS/MS assigned":"TRUE","Reference RT":"8.47","Reference m/z":"935.56549","Formula":"C51H85O13P","Ontology":"PI","INCHIKEY":"OQVHMSJESJFKSW-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"72.5","Reverse dot product":"79.6","Fragment presence %":"100","S/N average":"49.96","Spectrum reference file name":"210226_Hamze_MM-1835_106n","MS1 isotopic spectrum":"935.56525:1841448 936.5686:2586870 937.57196:1071563","MS/MS spectrum":"111.60004:5732 144.75414:7817 152.99422:35752 165.35712:7545 166.42155:8879 195.05899:8355 221.88474:8427 222.99966:26393 241.01306:125535 259.02084:14105 283.24054:31316 297.03714:14718 309.28131:161668 327.23108:71282 445.27188:38669 452.54257:8705 607.31964:44534 625.33911:16180 935.57483:121664"},{"Metabolite":"PS 36:1|PS 18:0_18:1","Alignment ID":"3106","Average Rt(min)":"10.424","Average Mz":"788.5498","Adduct type":"[M-H]-","Fill %":"0.841","MS/MS assigned":"TRUE","Reference RT":"8.85","Reference m/z":"788.54468","Formula":"C42H80NO10P","Ontology":"PS","INCHIKEY":"AJFWREUFUPEYII-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"20","Reverse dot product":"68.2","Fragment presence %":"100","S/N average":"993.73","Spectrum reference file name":"210226_Hamze_MM-1835_128n","MS1 isotopic spectrum":"788.55084:6007003 789.55419:10399677 790.55755:1404837","MS/MS spectrum":"96.96926:12098 119.08588:10748 121.10223:12926 133.10141:16325 134.98424:11688 135.11736:22275 147.11629:9914 149.13313:10736 152.99622:633888 153.99876:78924 154.99878:54319 161.13393:12074 168.04224:97150 175.1479:13316 189.16461:14414 224.06892:92382 227.18001:53189 227.20207:74192 229.19702:11679 251.19957:185522 253.21648:385473 255.23151:779260 259.24023:11137 279.23499:622726 280.23465:344209 281.22955:220469 282.25015:57070 283.26605:861264 284.26688:966724 285.27298:413720 295.26413:45964 296.26904:30537 301.21405:17692 302.22128:11042 303.23358:115968 304.23389:102128 305.23917:54474 325.21924:76709 327.23099:94250 387.49094:10375 397.72156:9273 415.22626:33646 416.22736:50286 417.23212:32545 419.25253:190438 420.259:348422 421.2598:210903 433.23395:10423 434.24261:11525 435.23532:10471 437.27026:105232 438.27338:176412 439.27005:138207 462.29993:15000 478.29578:27780 480.3125:75769 553.57794:11329 597.61877:12319 700.5083:26928 701.5047:166764 714.51007:29442"},{"Metabolite":"SHexCer 42:2;2O","Alignment ID":"3959","Average Rt(min)":"11.495","Average Mz":"888.62408","Adduct type":"[M-H]-","Fill %":"0.538","MS/MS assigned":"TRUE","Reference RT":"9.74","Reference m/z":"888.62402","Formula":"C48H91NO11S","Ontology":"SHexCer","INCHIKEY":"ZAUFNJHPYFKTHJ-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)C(O)C=CCCCCCCCCC)CCCCCCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"75","Reverse dot product":"75","Fragment presence %":"100","S/N average":"529.85","Spectrum reference file name":"210226_Hamze_MM-1835_047n","MS1 isotopic spectrum":"888.62408:154181120 889.62743:154020416 890.63079:52705536","MS/MS spectrum":"96.95896:73562 152.99409:22383 222.99948:20232 241.00885:69095 242.01227:10571 277.21683:11421 281.24966:26238 283.26077:66791 284.26672:40403 305.24472:83574 306.24924:70620 307.26453:9783 419.26154:18011 420.25879:25177 534.59973:11496 581.31677:11632 582.31128:20709 600.30981:10648 742.36731:11542 768.55823:11315 860.17548:18115 888.62646:18943164"},{"Metabolite":"SM 40:1;2O|SM 18:1;2O/22:0","Alignment ID":"3585","Average Rt(min)":"13.323","Average Mz":"845.67572","Adduct type":"[M+CH3COO]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"12.08","Reference m/z":"845.67529","Formula":"C45H91N2O6P","Ontology":"SM","INCHIKEY":"FJJANLYCZUNFSE-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"93.6","Reverse dot product":"84.7","Fragment presence %":"100","S/N average":"89123.27","Spectrum reference file name":"210226_Hamze_MM-1835_144n","MS1 isotopic spectrum":"845.67554:710248064 846.67889:649660992 847.68225:199671680","MS/MS spectrum":"122.98541:85519 168.04211:2006653 178.26746:46006 279.2348:118546 280.23447:78789 281.24963:27573 282.24994:17780 283.26587:50566 284.26666:31562 449.31387:57502 509.34631:9594 634.23022:12695 682.5658:15080 700.56757:58742 726.57458:23551 748.59528:10393 771.63275:10910121 785.65247:24386 786.59906:11450"},{"Metabolite":"SM 41:1;2O|SM 18:1;2O/23:0","Alignment ID":"3714","Average Rt(min)":"13.849","Average Mz":"859.6908","Adduct type":"[M+CH3COO]-","Fill %":"0.641","MS/MS assigned":"TRUE","Reference RT":"12.76","Reference m/z":"859.69098","Formula":"C46H93N2O6P","Ontology":"SM","INCHIKEY":"SXZWBNWTCVLZJN-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"89.9","Reverse dot product":"88.3","Fragment presence %":"100","S/N average":"40808.45","Spectrum reference file name":"210226_Hamze_MM-1835_072n","MS1 isotopic spectrum":"859.6911:547680704 860.69445:444167680 861.69781:138609248","MS/MS spectrum":"122.9855:29128 168.04222:839169 178.24713:55265 226.58557:8327 238.993:9696 248.13724:8780 279.22998:13883 449.31418:12818 542.30011:9771 568.80652:8981 575.04779:9480 696.5636:17027 714.57159:17463 785.65295:4668958 798.65088:20478 799.66962:204594 859.68854:25004"},{"Metabolite":"SM 42:1;3O","Alignment ID":"3971","Average Rt(min)":"12.861","Average Mz":"889.70245","Adduct type":"[M+CH3COO]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"11.44","Reference m/z":"889.70148","Formula":"C47H95N2O7P","Ontology":"SM","INCHIKEY":"KKVNJHINLOBWCG-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCC=CCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"86.5","Reverse dot product":"85.3","Fragment presence %":"100","S/N average":"364.23","Spectrum reference file name":"210226_Hamze_MM-1835_121n","MS1 isotopic spectrum":"889.70221:7954338 890.70556:7657324 891.70892:2835502","MS/MS spectrum":"112.97583:7126 117.77261:6190 122.98542:17612 128.88298:6033 130.0789:6492 138.55066:6978 168.04213:464520 173.55104:6897 242.70091:8183 289.02383:10694 296.6525:10582 335.94299:9008 770.25378:9212 815.66272:1285608 843.88739:9330"},{"Metabolite":"SM 43:1;2O|SM 18:1;2O/25:0","Alignment ID":"3950","Average Rt(min)":"14.752","Average Mz":"887.72247","Adduct type":"[M+CH3COO]-","Fill %":"0.793","MS/MS assigned":"TRUE","Reference RT":"13.18","Reference m/z":"887.72229","Formula":"C48H97N2O6P","Ontology":"SM","INCHIKEY":"JONXXLXMISNQNG-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"94","Reverse dot product":"84.7","Fragment presence %":"100","S/N average":"3800.73","Spectrum reference file name":"210226_Hamze_MM-1835_045n","MS1 isotopic spectrum":"887.72229:10972504 888.72564:9494138 889.729:3152067","MS/MS spectrum":"122.98551:12987 125.66895:6474 129.90872:7516 141.2782:6529 152.70607:7986 156.80034:7248 166.64304:7639 168.04225:445458 225.42554:8079 247.42534:8783 342.63956:8834 388.50851:9990 449.31424:14622 702.0437:11029 755.28168:10107 813.69092:2515062 878.14038:10140"},{"Metabolite":"SM 59:3;3O","Alignment ID":"5319","Average Rt(min)":"19.274","Average Mz":"1123.93494","Adduct type":"[M+CH3COO]-","Fill %":"0.503","MS/MS assigned":"TRUE","Reference RT":"13.91","Reference m/z":"1123.93628","Formula":"C64H125N2O7P","Ontology":"SM","INCHIKEY":"ZUDOSNMTCANFJT-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCC=CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCC=CCC=CCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"22","Reverse dot product":"84","Fragment presence %":"100","S/N average":"57.24","Spectrum reference file name":"210226_Hamze_MM-1835_135n","MS1 isotopic spectrum":"1123.9353:727539 1124.93865:867091 1125.94201:421545","MS/MS spectrum":"103.61182:5349 113.27435:6735 121.06507:7108 122.97089:6309 124.72593:6239 150.72978:7041 158.81601:7125 168.04228:23943 178.24464:22235 180.08566:8542 192.24095:6899 194.46658:7679 262.77621:8599 263.00046:8503 281.24991:13534 283.26614:35376 462.33209:9088 765.61621:63897 767.64459:25207 779.65851:16921 934.04047:10670 1049.89075:38622"},{"Metabolite":"C16_Ceramide-d7","Alignment ID":"1023","Average Rt(min)":"11.998","Average Mz":"543.5484","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"11.99","Reference m/z":"543.54871","Formula":"null","Ontology":"null","INCHIKEY":"null","SMILES":"null","Annotation tag (VS1.0)":"annotated by user-defined text library","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"FALSE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"null","Reverse dot product":"null","Fragment presence %":"null","S/N average":"54042.08","Spectrum reference file name":"210226_Hamze_MM-1835_139n","MS1 isotopic spectrum":"543.54852:295421344 544.55187:177443616 545.55523:33565752","MS/MS spectrum":"178.26758:42706 214.43382:10556 232.26761:13633 237.22176:1637194 238.22922:13062 242.25107:32117 243.25819:16108 244.2675:2157153 246.28017:65447 253.25542:62503 254.24928:1676164 255.23151:1062754 257.29727:114779 258.28384:12966 262.27832:39951 268.26669:11608 269.27438:16965 270.28299:1728864 273.29456:160566 275.30902:321635 278.25064:11847 280.26489:7408706 281.21439:19831 281.27008:89998 288.29211:39820 294.24268:31691 295.25327:13226 296.25809:1169390 298.23895:21890 298.27768:36052 301.28705:13984 305.31934:104366 351.82974:9811 468.50903:15455 484.51035:22962 495.52713:883048 497.54669:16946 501.84018:11636 507.53717:20075 511.52588:1238058 512.53351:11598 513.53168:1821261 514.54523:13680 525.53308:85511 543.54974:3795884"},{"Metabolite":"C18_Ceramide-d7","Alignment ID":"1206","Average Rt(min)":"12.937","Average Mz":"571.57892","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"12.93","Reference m/z":"571.58002","Formula":"null","Ontology":"null","INCHIKEY":"null","SMILES":"null","Annotation tag (VS1.0)":"annotated by user-defined text library","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"FALSE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"null","Reverse dot product":"null","Fragment presence %":"null","S/N average":"44081.48","Spectrum reference file name":"210226_Hamze_MM-1835_017n","MS1 isotopic spectrum":"571.57977:409857152 572.58312:296532736 573.58648:61763336","MS/MS spectrum":"178.24718:49329 244.26756:814102 246.28023:22200 257.29733:42836 262.27383:20981 265.25418:698042 270.28308:661534 273.29462:61067 275.30908:142086 281.28534:23986 282.28076:711673 283.26611:431818 288.29218:18167 305.3194:36329 308.29669:2928663 309.29883:35123 324.28934:469695 326.30511:23577 523.55969:361594 539.55811:467642 541.56879:788691 553.57806:38832 571.58429:1550217"},{"Metabolite":"C24_1_Ceramide-d7","Alignment ID":"1857","Average Rt(min)":"14.976","Average Mz":"653.65576","Adduct type":"[M-2H]2-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"14.95","Reference m/z":"653.65833","Formula":"null","Ontology":"null","INCHIKEY":"null","SMILES":"null","Annotation tag (VS1.0)":"annotated by user-defined text library","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"FALSE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"null","Reverse dot product":"null","Fragment presence %":"null","S/N average":"57140.48","Spectrum reference file name":"210226_Hamze_MM-1835_138n","MS1 isotopic spectrum":"653.65796:500576288 654.66131:425863744 655.66467:101319328","MS/MS spectrum":"232.26764:39625 242.2511:124886 243.2623:89692 244.26753:8120482 246.2802:272412 255.23154:26608 256.23706:24840 257.2973:439230 258.28387:59852 262.27835:132072 267.23184:134605 268.23843:93015 269.27441:79845 270.28302:6394094 273.29459:589384 275.30905:1372652 285.29373:33530 288.29214:134191 305.31937:334882 347.33151:7318634 348.3345:109831 349.34888:52233 352.35474:46548 353.35104:88157 354.34442:85980 363.36496:177626 364.35602:6519075 365.34372:4409201 366.34296:64694 378.37604:109963 379.37372:32104 382.03754:38495 388.12238:22929 388.36057:79626 390.37338:30126564 391.37735:472132 394.37048:38848 395.37305:67422 396.38791:162295 397.38968:248184 398.98502:38005 399.13907:27942 404.35236:112752 405.36694:41279 406.36777:4941502 407.37231:85846 408.38947:294713 409.39261:209396 418.36914:20330 420.38858:24191 578.63275:51051 594.61847:81282 605.6358:3534297 607.65717:37731 617.62067:142171 621.62823:4630691 622.64459:41555 623.64667:7691316 624.65118:37781 625.65814:68330 635.65656:303446 653.4527:55622 653.66797:11464228"},{"Metabolite":"Cer 31:1;2O|Cer 15:1;2O/16:0","Alignment ID":"793","Average Rt(min)":"10.815","Average Mz":"494.45728","Adduct type":"[M-H]-","Fill %":"0.924","MS/MS assigned":"TRUE","Reference RT":"8.7","Reference m/z":"494.45789","Formula":"C31H61NO3","Ontology":"Cer_NS","INCHIKEY":"JNWJZVAXJHXHJW-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCC)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"85.5","Reverse dot product":"94.9","Fragment presence %":"100","S/N average":"4799.82","Spectrum reference file name":"210226_Hamze_MM-1835_028n","MS1 isotopic spectrum":"494.45786:1666913 495.46121:486617 496.46457:0","MS/MS spectrum":"91.54831:4559 92.44454:4536 93.84402:5632 93.9417:4793 99.72298:4693 101.87424:5674 109.70548:5300 135.61113:7552 144.96564:7049 151.10399:6532 185.62822:8407 195.17601:43850 202.05399:7793 221.19078:29414 226.21619:8324 237.22177:43827 254.2493:37135 255.23152:30810 280.26489:158256 296.25812:32259 446.4342:25724 462.42804:31593 464.45251:42294 494.46298:82114"},{"Metabolite":"Cer 33:1;2O|Cer 17:1;2O/16:0","Alignment ID":"924","Average Rt(min)":"11.594","Average Mz":"522.48798","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"9.12","Reference m/z":"522.4892","Formula":"C33H65NO3","Ontology":"Cer_NS","INCHIKEY":"KXVLPPCAUYSNGY-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCC)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"88.5","Reverse dot product":"94.6","Fragment presence %":"100","S/N average":"200719.23","Spectrum reference file name":"210226_Hamze_MM-1835_072n","MS1 isotopic spectrum":"522.4892:13214338 523.49255:6530712 524.49591:1425639","MS/MS spectrum":"178.27013:59927 221.19075:9295 223.20712:682520 225.22215:18034 236.24014:33760 237.22174:531714 240.2355:12748 241.218:24061 249.22356:479069 252.23296:47206 253.25542:19852 254.24928:658034 255.23149:349801 263.23868:13694 266.24951:75362 267.23178:17098 268.26669:16654 272.84882:9014 280.26486:2219582 281.27008:11205 282.24506:10497 284.26172:31172 296.25809:379558 298.27213:20358 402.65527:10659 474.46664:280267 490.46173:375210 492.47385:576171 504.48193:29186 522.49359:1088573"},{"Metabolite":"Cer 34:1;2O|Cer 18:1;2O/16:0","Alignment ID":"1000","Average Rt(min)":"12.025","Average Mz":"536.50421","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"9.38","Reference m/z":"536.50482","Formula":"C34H67NO3","Ontology":"Cer_NS","INCHIKEY":"YDNKGFDKKRUKPY-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"88.1","Reverse dot product":"93.7","Fragment presence %":"100","S/N average":"30310.81","Spectrum reference file name":"210226_Hamze_MM-1835_001n","MS1 isotopic spectrum":"536.5047:78532560 537.50805:50542096 538.51141:10303005","MS/MS spectrum":"178.24725:78547 225.22229:9382 235.20667:12816 237.22189:1513536 239.23929:37983 250.25342:37464 251.2382:8993 253.25124:33013 254.24944:692428 255.23166:441963 263.23883:652599 266.24969:49599 268.26685:122976 280.26505:3036626 281.21454:11827 281.27023:11315 291.63742:9519 294.24286:15899 296.25827:504654 298.23914:14198 298.27786:48701 311.28839:10657 488.48544:366632 500.47928:9469 504.48224:501828 506.12857:9798 506.49554:763517 518.49054:26007 536.50323:1525560"},{"Metabolite":"Cer 34:2;2O|Cer 18:2;2O/16:0","Alignment ID":"985","Average Rt(min)":"11.341","Average Mz":"534.48846","Adduct type":"[M-H]-","Fill %":"0.966","MS/MS assigned":"TRUE","Reference RT":"8.95","Reference m/z":"534.4892","Formula":"C34H65NO3","Ontology":"Cer_NS","INCHIKEY":"GMWIWVUTMCBDSP-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"89","Reverse dot product":"94.2","Fragment presence %":"100","S/N average":"39368.02","Spectrum reference file name":"210226_Hamze_MM-1835_104n","MS1 isotopic spectrum":"534.48853:7189497 535.49188:4700131 536.49524:0","MS/MS spectrum":"178.73875:7842 178.75929:7776 235.20656:234644 237.22177:164525 248.23802:11557 254.24931:181254 255.23152:119225 261.22348:176063 266.24957:42522 280.26492:709527 296.25812:135464 486.46292:93081 502.45642:126480 504.48199:197859 534.49396:329277"},{"Metabolite":"Cer 35:0;2O|Cer 18:0;2O/17:0","Alignment ID":"1071","Average Rt(min)":"12.871","Average Mz":"552.53461","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"10.77","Reference m/z":"552.53607","Formula":"C35H71NO3","Ontology":"Cer_NDS","INCHIKEY":"QZDZZVCCCYWHDN-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"89.9","Reverse dot product":"96.5","Fragment presence %":"100","S/N average":"7226.67","Spectrum reference file name":"210226_Hamze_MM-1835_056n","MS1 isotopic spectrum":"552.53461:5580243 553.53796:3101596 554.54132:609583","MS/MS spectrum":"175.18776:8264 178.27274:15800 225.2222:11996 239.2392:123808 251.2381:176085 255.23155:8629 265.25418:11246 268.26202:68985 269.24597:111782 280.26495:21121 282.28076:11250 294.28067:742354 300.2901:28797 308.29669:57927 310.27646:140911 312.29315:13267 504.51855:247050 520.51172:289693 534.53381:11864 552.53088:820263"},{"Metabolite":"Cer 35:1;2O|Cer 18:1;2O/17:0","Alignment ID":"1059","Average Rt(min)":"12.496","Average Mz":"550.52045","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"10.14","Reference m/z":"550.52051","Formula":"C35H69NO3","Ontology":"Cer_NS","INCHIKEY":"ICWGMOFDULMCFL-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"76.7","Reverse dot product":"96.7","Fragment presence %":"100","S/N average":"63782.51","Spectrum reference file name":"210226_Hamze_MM-1835_022n","MS1 isotopic spectrum":"550.52063:3862159 551.52398:2395051 552.52734:287043","MS/MS spectrum":"156.51193:6875 178.24718:41570 223.20717:43364 237.22179:153770 249.22362:38932 251.2381:111559 254.24933:20496 255.23155:9382 263.23871:99847 265.25415:32967 268.26672:125028 269.2507:64582 277.25668:11301 280.26492:31918 282.28073:36533 283.26611:29501 294.28067:462931 308.29669:163648 310.27646:82444 324.28931:29937 373.33771:9137 379.80252:9773 502.50482:66330 518.4903:103555 520.51172:187473 530.10309:8471 532.5094:13341 550.5144:335692"},{"Metabolite":"Cer 36:1;2O|Cer 18:1;2O/18:0","Alignment ID":"1158","Average Rt(min)":"12.975","Average Mz":"564.53473","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"10.71","Reference m/z":"564.53607","Formula":"C36H71NO3","Ontology":"Cer_NS","INCHIKEY":"VODZWWMEJITOND-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"91.3","Reverse dot product":"95.8","Fragment presence %":"100","S/N average":"109535.78","Spectrum reference file name":"210226_Hamze_MM-1835_063n","MS1 isotopic spectrum":"564.53595:45782672 565.5393:28681106 566.54266:5919747","MS/MS spectrum":"91.9976:4711 95.5597:4997 114.86487:5472 122.0478:4838 237.22169:32383 263.23862:20208 265.25406:31473 282.28064:20582 283.26599:19579 308.29657:122812 324.28918:17853 516.51825:23211 532.50916:24355 534.52032:28669 564.53381:77284"},{"Metabolite":"Cer 36:2;2O|Cer 18:2;2O/18:0","Alignment ID":"1140","Average Rt(min)":"12.22","Average Mz":"562.5199","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"9.95","Reference m/z":"562.52051","Formula":"C36H69NO3","Ontology":"Cer_NS","INCHIKEY":"WNPWDGNHTKGEDS-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"81","Reverse dot product":"94.4","Fragment presence %":"100","S/N average":"22102.28","Spectrum reference file name":"210226_Hamze_MM-1835_025n","MS1 isotopic spectrum":"562.52039:4669188 563.52374:3731432 564.5271:578369","MS/MS spectrum":"108.50999:6838 178.27527:16668 212.73801:8323 235.20654:181915 237.22177:39399 240.99695:8728 248.23801:10792 261.22348:124999 263.23868:48312 264.2366:8861 265.25412:169068 266.24954:24603 273.71225:10351 280.26489:21371 281.24985:13618 282.2807:159461 283.26608:93086 296.25812:10189 306.2782:116522 308.29666:654265 317.54919:8769 322.27347:21878 324.28928:105516 514.49512:92602 530.4964:105974 532.50934:193491 562.52313:312035"},{"Metabolite":"Cer 37:0;2O|Cer 17:0;2O/20:0","Alignment ID":"1259","Average Rt(min)":"14.083","Average Mz":"580.56763","Adduct type":"[M-H]-","Fill %":"0.959","MS/MS assigned":"TRUE","Reference RT":"11.88","Reference m/z":"580.56738","Formula":"C37H75NO3","Ontology":"Cer_NDS","INCHIKEY":"PSVSIYCFBQHYRL-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"37.9","Reverse dot product":"89.9","Fragment presence %":"100","S/N average":"8320.89","Spectrum reference file name":"210226_Hamze_MM-1835_101n","MS1 isotopic spectrum":"580.56781:1209848 581.57116:769602 582.57452:102111","MS/MS spectrum":"93.73963:4541 97.9298:4617 111.16454:5572 127.46986:6136 148.92995:11266 157.09584:8060 178.24454:14926 225.22209:10141 279.26999:15045 293.2858:22110 297.27899:24752 311.29401:28349 322.31064:42045 326.04562:11086 336.32687:76864 352.32617:20160 520.37128:168765 532.54871:49332 548.53632:15056 564.30347:29396 580.33997:228863 580.56525:202284"},{"Metabolite":"Cer 37:0;2O|Cer 18:0;2O/19:0","Alignment ID":"1258","Average Rt(min)":"13.867","Average Mz":"580.56683","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"11.82","Reference m/z":"580.56738","Formula":"C37H75NO3","Ontology":"Cer_NDS","INCHIKEY":"ZNVQCANCZXMJOJ-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"85.8","Reverse dot product":"96.3","Fragment presence %":"100","S/N average":"14284.46","Spectrum reference file name":"210226_Hamze_MM-1835_056n","MS1 isotopic spectrum":"580.56683:12509483 581.57018:7516826 582.57354:2103580","MS/MS spectrum":"185.79128:8028 235.9364:8117 239.2392:152098 265.24954:9119 268.26202:20006 279.27014:202974 280.26495:10070 282.28076:11720 296.29648:72877 297.27911:149419 300.2901:60499 308.29669:47483 322.31079:1012757 336.32703:11258 338.30258:179789 340.32248:16939 520.37152:97459 532.54895:301297 544.54443:9806 548.53656:367630 562.55188:16543 564.31812:13503 580.34027:71769 580.56549:1123208"},{"Metabolite":"Cer 37:1;2O|Cer 18:1;2O/19:0","Alignment ID":"1243","Average Rt(min)":"13.486","Average Mz":"578.55078","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"11.29","Reference m/z":"578.55182","Formula":"C37H73NO3","Ontology":"Cer_NS","INCHIKEY":"SNMLDULQFHAZRC-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"85.1","Reverse dot product":"95","Fragment presence %":"100","S/N average":"4839.08","Spectrum reference file name":"210226_Hamze_MM-1835_056n","MS1 isotopic spectrum":"578.55096:22366224 579.55431:13531001 580.55767:2855412","MS/MS spectrum":"143.07472:8294 178.24461:19581 223.20717:19444 237.2218:246727 243.93587:8884 249.22362:15209 250.25331:12417 251.2381:13601 263.23874:193466 266.24957:9889 268.26202:34992 279.27014:192606 293.28592:12769 296.29648:223084 297.27911:116104 298.27222:13871 308.29669:40578 310.31168:21738 311.29416:12074 322.31079:831984 336.32703:56465 338.30258:112122 526.2713:9560 530.53583:98076 546.5282:144144 548.53656:234391 578.55811:442567"},{"Metabolite":"Cer 37:2;2O|Cer 18:2;2O/19:0","Alignment ID":"1226","Average Rt(min)":"12.7","Average Mz":"576.53601","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"10.51","Reference m/z":"576.53607","Formula":"C37H71NO3","Ontology":"Cer_NS","INCHIKEY":"OHKAKXZUCIPNDG-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"85.5","Reverse dot product":"94.2","Fragment presence %":"100","S/N average":"9106.36","Spectrum reference file name":"210226_Hamze_MM-1835_067n","MS1 isotopic spectrum":"576.53589:934711 577.53924:482936 578.5426:105591","MS/MS spectrum":"91.90674:4812 94.16695:5083 98.92586:6245 103.35748:5594 125.4665:6375 178.27269:27625 235.20653:34911 261.22345:29509 262.33307:9205 279.27008:35836 296.29642:27465 297.27905:21370 322.31073:138477 338.3092:24460 528.52094:16132 544.50342:19940 546.52808:32801 576.53125:66724"},{"Metabolite":"Cer 38:0;2O|Cer 18:0;2O/20:0","Alignment ID":"1373","Average Rt(min)":"14.597","Average Mz":"594.58179","Adduct type":"[M-H]-","Fill %":"0.917","MS/MS assigned":"TRUE","Reference RT":"12.48","Reference m/z":"594.58313","Formula":"C38H77NO3","Ontology":"Cer_NDS","INCHIKEY":"ZWAUSWHRQBSECP-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"84.3","Reverse dot product":"94.9","Fragment presence %":"100","S/N average":"17021.91","Spectrum reference file name":"210226_Hamze_MM-1835_121n","MS1 isotopic spectrum":"594.58331:1663680 595.58666:979834 596.59002:254779","MS/MS spectrum":"97.38577:4841 104.51672:5295 118.25301:6315 134.3031:6865 136.45598:6162 170.50838:8263 174.13924:7458 239.23898:36224 293.28568:65137 300.28986:16980 310.31143:13653 311.29388:118355 336.32675:208331 352.31894:51039 460.75601:9947 546.55511:80659 562.55139:30446 594.58685:328084"},{"Metabolite":"Cer 38:0;2O|Cer 20:0;2O/18:0","Alignment ID":"1372","Average Rt(min)":"14.352","Average Mz":"594.58112","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"12.5","Reference m/z":"594.58313","Formula":"C38H77NO3","Ontology":"Cer_NDS","INCHIKEY":"OGWKBOGOKYSQSD-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"90.5","Reverse dot product":"96.5","Fragment presence %":"100","S/N average":"106475.91","Spectrum reference file name":"210226_Hamze_MM-1835_116n","MS1 isotopic spectrum":"594.58295:54353080 595.5863:29977478 596.58966:6579130","MS/MS spectrum":"178.26759:55487 239.23915:12887 265.25412:458689 267.26935:377080 281.28528:12135 282.2807:160065 283.26605:297496 293.28589:37340 296.29642:50735 308.29663:1916774 310.31161:18320 311.2941:11537 324.28925:347093 326.30505:28477 328.32053:110233 336.327:106405 352.31918:20034 546.55548:618503 558.56189:12428 562.55176:718456 576.57587:42240 594.58728:1986014"},{"Metabolite":"Cer 38:1;2O|Cer 18:1;2O/20:0","Alignment ID":"1352","Average Rt(min)":"13.984","Average Mz":"592.56744","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"12.05","Reference m/z":"592.56738","Formula":"C38H75NO3","Ontology":"Cer_NS","INCHIKEY":"XWBWIAOWSABHFI-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"88.9","Reverse dot product":"96.7","Fragment presence %":"100","S/N average":"20046.76","Spectrum reference file name":"210226_Hamze_MM-1835_035n","MS1 isotopic spectrum":"592.5675:78384720 593.57085:43337856 594.57421:9440481","MS/MS spectrum":"99.97475:5433 101.66703:6143 105.52562:5148 110.85192:7725 130.67842:6083 150.33913:7983 214.79172:8418 237.22183:53454 263.23877:53018 268.26205:9016 293.28598:40029 310.31171:46076 311.29419:19950 318.00543:9944 336.32709:217474 352.31927:35562 368.5741:10398 532.00842:8734 544.54449:40180 560.53741:36198 562.55194:60902 592.56891:154117"},{"Metabolite":"Cer 38:2;2O|Cer 18:1;2O/20:1","Alignment ID":"1336","Average Rt(min)":"13.19","Average Mz":"590.55078","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"10.94","Reference m/z":"590.55182","Formula":"C38H73NO3","Ontology":"Cer_NS","INCHIKEY":"VJSANVIMIYPTLW-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"80.7","Reverse dot product":"94.8","Fragment presence %":"100","S/N average":"285039.91","Spectrum reference file name":"210226_Hamze_MM-1835_062n","MS1 isotopic spectrum":"590.55188:20137000 591.55523:11502447 592.55859:2214380","MS/MS spectrum":"105.59782:5859 121.65937:6562 131.49706:6946 145.29794:7770 178.24464:21841 198.76131:7746 209.18837:19394 216.32422:8035 235.2066:26603 237.22183:116731 249.0421:8132 263.23877:94775 268.26205:17578 289.01358:10740 291.26874:99904 308.29675:95972 309.28134:65271 319.3002:9628 334.30972:421051 336.32709:31063 350.30435:67366 362.34091:87251 542.53088:59775 558.51953:84621 560.53741:121255 590.54523:213351"},{"Metabolite":"Cer 39:0;2O|Cer 17:0;2O/22:0","Alignment ID":"1498","Average Rt(min)":"15.127","Average Mz":"608.59766","Adduct type":"[M-H]-","Fill %":"0.848","MS/MS assigned":"TRUE","Reference RT":"13","Reference m/z":"608.59869","Formula":"C39H79NO3","Ontology":"Cer_NDS","INCHIKEY":"KCIBMYLHDICANO-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"73.6","Reverse dot product":"93.5","Fragment presence %":"100","S/N average":"5873.13","Spectrum reference file name":"210226_Hamze_MM-1835_103n","MS1 isotopic spectrum":"608.59741:1613262 609.60076:1167714 610.60412:224457","MS/MS spectrum":"116.18338:6477 134.37173:7821 136.44067:7378 154.87662:6584 160.1676:7066 178.27271:12728 216.83405:9132 225.22215:17414 267.23181:10682 279.78693:9480 286.27408:9801 307.29938:12631 321.31897:29841 325.31372:49168 338.34253:11737 339.32697:61495 350.33945:58386 364.35599:121300 380.35141:36457 473.50272:11091 560.57996:69320 570.3244:9537 576.57587:21355 608.591:315902"},{"Metabolite":"Cer 39:0;2O|Cer 18:0;2O/21:0","Alignment ID":"1497","Average Rt(min)":"14.912","Average Mz":"608.59753","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"12.94","Reference m/z":"608.59869","Formula":"C39H79NO3","Ontology":"Cer_NDS","INCHIKEY":"UENBFMKLOLVHJY-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"89.7","Reverse dot product":"96.7","Fragment presence %":"100","S/N average":"7373.47","Spectrum reference file name":"210226_Hamze_MM-1835_098n","MS1 isotopic spectrum":"608.59924:2866476 609.60259:1369168 610.60595:331199","MS/MS spectrum":"141.56163:8015 157.18889:8349 159.80687:7239 160.63431:8502 167.8412:7867 178.24707:24150 239.23906:45255 268.2666:9411 280.936:9645 294.28052:8954 300.28995:16557 307.29926:64998 324.32675:18832 325.30728:37469 336.32684:11126 350.33932:248877 366.33527:54506 560.57977:90606 576.57562:114315 608.59076:283457"},{"Metabolite":"Cer 39:1;2O|Cer 18:1;2O/21:0","Alignment ID":"1477","Average Rt(min)":"14.528","Average Mz":"606.5835","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"12.75","Reference m/z":"606.58313","Formula":"C39H77NO3","Ontology":"Cer_NS","INCHIKEY":"FWXJRGLCUAXNLA-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"88.7","Reverse dot product":"97.4","Fragment presence %":"100","S/N average":"4472.99","Spectrum reference file name":"210226_Hamze_MM-1835_001n","MS1 isotopic spectrum":"606.58374:24761312 607.58709:14808670 608.59045:3530874","MS/MS spectrum":"96.97958:4574 101.57796:4833 118.22692:5773 151.69411:9552 153.33823:8515 217.95612:7933 237.22189:33147 263.23883:34587 284.91138:8236 307.29956:22567 324.32706:31915 325.3139:16882 350.33966:110476 366.3356:26980 479.38733:9864 558.56219:20824 574.55988:24317 576.57617:45083 606.5813:90136"},{"Metabolite":"Cer 39:2;2O|Cer 17:1;2O/22:1","Alignment ID":"1449","Average Rt(min)":"13.552","Average Mz":"604.56726","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"11.65","Reference m/z":"604.56738","Formula":"C39H75NO3","Ontology":"Cer_NS","INCHIKEY":"USTGJUYHSWCYMJ-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"86","Reverse dot product":"95.4","Fragment presence %":"100","S/N average":"25092.26","Spectrum reference file name":"210226_Hamze_MM-1835_060n","MS1 isotopic spectrum":"604.56744:2354320 605.57079:1694854 606.57415:363535","MS/MS spectrum":"100.91508:5290 119.71909:7381 129.74515:6474 162.23102:7664 223.20718:73554 249.21941:55164 267.23187:10214 319.30017:74028 336.32706:79957 337.30933:35724 348.32758:43191 362.34088:299903 376.35327:14042 378.33655:50404 390.37344:12581 439.5372:9465 556.54065:32376 572.53918:57903 574.55963:105889 604.56506:184397"},{"Metabolite":"Cer 39:2;2O|Cer 18:2;2O/21:0","Alignment ID":"1448","Average Rt(min)":"13.653","Average Mz":"604.56696","Adduct type":"[M-H]-","Fill %":"0.786","MS/MS assigned":"TRUE","Reference RT":"11.68","Reference m/z":"604.56738","Formula":"C39H75NO3","Ontology":"Cer_NS","INCHIKEY":"QTPZDFXETGWILD-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"71.2","Reverse dot product":"96.6","Fragment presence %":"100","S/N average":"6551.88","Spectrum reference file name":"210226_Hamze_MM-1835_104n","MS1 isotopic spectrum":"604.56738:4095308 605.57073:3000736 606.57409:512079","MS/MS spectrum":"93.29883:5010 110.46819:6656 151.83455:7887 178.2446:22183 202.29475:8230 223.20715:11369 235.20656:30601 261.22348:21300 267.23184:42885 307.29941:19318 321.319:11863 324.3269:28705 325.31375:13739 336.327:25989 350.34653:118195 362.34082:36273 364.35602:33633 366.33542:29802 556.54059:20245 572.53912:32816 574.55957:48091 604.10242:9400 604.565:97585"},{"Metabolite":"Cer 40:2;2O|Cer 18:1;2O/22:1","Alignment ID":"1571","Average Rt(min)":"14.033","Average Mz":"618.58118","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"12.35","Reference m/z":"618.58313","Formula":"C40H77NO3","Ontology":"Cer_NS","INCHIKEY":"YHMJTZZWEXBHQK-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"86.9","Reverse dot product":"95.7","Fragment presence %":"100","S/N average":"34229.65","Spectrum reference file name":"210226_Hamze_MM-1835_029n","MS1 isotopic spectrum":"618.58313:81276232 619.58648:61064684 620.58984:14198172","MS/MS spectrum":"93.91532:4201 117.63971:6364 121.77469:6729 121.79345:6725 131.60556:6410 165.95229:8018 178.27017:27062 237.22179:40296 263.23871:31231 319.30014:35939 336.32703:25497 337.3093:18906 362.34085:141259 378.33652:30336 408.84177:10543 570.55853:21086 586.5592:30349 588.57776:32215 618.57764:85975"},{"Metabolite":"Cer 40:2;2O|Cer 18:2;2O/22:0","Alignment ID":"1572","Average Rt(min)":"14.212","Average Mz":"618.58429","Adduct type":"[M-H]-","Fill %":"0.993","MS/MS assigned":"TRUE","Reference RT":"12.44","Reference m/z":"618.58313","Formula":"C40H77NO3","Ontology":"Cer_NS","INCHIKEY":"AWTNSRHUZXWBCO-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"86.1","Reverse dot product":"94.1","Fragment presence %":"100","S/N average":"20029.66","Spectrum reference file name":"210226_Hamze_MM-1835_022n","MS1 isotopic spectrum":"618.58289:153558592 619.58624:111049920 620.5896:24065866","MS/MS spectrum":"235.20657:1328896 237.22179:109070 248.23804:64010 253.21652:25258 261.22351:1027915 263.23871:51535 264.23203:108803 266.24957:204715 279.23505:28051 296.25815:52613 319.30014:63116 321.319:1050124 336.32703:48858 337.3093:31523 338.34259:1093247 339.327:719830 352.36185:10687 362.34085:243771 364.35605:4671848 365.30624:34984 365.35873:15896 378.33652:66810 380.35147:762411 382.37451:18962 390.37341:21750 446.61661:10535 497.46338:11830 543.5498:14036 559.5412:15402 570.55853:582342 572.90704:10618 582.55316:12688 586.5592:781585 588.57776:1261441 600.4682:11641 600.5788:51513 618.57764:2202338"},{"Metabolite":"Cer 40:3;2O|Cer 18:2;2O/22:1","Alignment ID":"1559","Average Rt(min)":"13.242","Average Mz":"616.56592","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"11.19","Reference m/z":"616.56738","Formula":"C40H75NO3","Ontology":"Cer_NS","INCHIKEY":"HRDVBSHPYWWHCP-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"86","Reverse dot product":"93.3","Fragment presence %":"100","S/N average":"23450.6","Spectrum reference file name":"210226_Hamze_MM-1835_015n","MS1 isotopic spectrum":"616.56769:20665690 617.57104:16307422 618.5744:3593949","MS/MS spectrum":"124.25762:7059 143.21999:8327 161.56967:7473 211.20387:8604 235.20657:269286 237.22179:10341 248.23804:17203 261.22351:182311 266.24957:45534 273.26065:8494 319.30017:225560 324.83551:9911 334.7301:9737 336.32703:179581 337.3093:112509 360.32758:42870 362.34085:860663 376.3219:12455 378.33655:134045 409.67737:9084 568.54456:115047 584.53583:128374 586.5592:221650 598.76562:10668 616.56732:367071"},{"Metabolite":"Cer 40:4;2O|Cer 18:1;2O/22:3","Alignment ID":"1544","Average Rt(min)":"12.613","Average Mz":"614.54962","Adduct type":"[M-H]-","Fill %":"0.724","MS/MS assigned":"TRUE","Reference RT":"11.05","Reference m/z":"614.55182","Formula":"C40H73NO3","Ontology":"Cer_NS","INCHIKEY":"HSERAEZAKNNSET-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCC=CCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"79.3","Reverse dot product":"92.1","Fragment presence %":"100","S/N average":"158.02","Spectrum reference file name":"210226_Hamze_MM-1835_066n","MS1 isotopic spectrum":"614.55066:910365 615.55401:563240 616.55737:159808","MS/MS spectrum":"97.04825:4369 140.42921:8034 147.51175:8031 148.92998:11001 169.27452:7405 237.22174:40346 260.44098:10103 263.23865:22968 315.26495:13168 332.29733:17003 333.28159:16272 358.30911:117776 360.32748:10124 374.30765:22503 379.31018:9654 410.52438:9660 566.52661:12449 582.52283:22620 584.53571:44536 614.55023:53680"},{"Metabolite":"Cer 41:0;2O|Cer 18:0;2O/23:0","Alignment ID":"1719","Average Rt(min)":"15.901","Average Mz":"636.62854","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"13.33","Reference m/z":"636.63","Formula":"C41H83NO3","Ontology":"Cer_NDS","INCHIKEY":"FTSDYFFYZJTACJ-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"90.8","Reverse dot product":"96.1","Fragment presence %":"100","S/N average":"10848.32","Spectrum reference file name":"210226_Hamze_MM-1835_126n","MS1 isotopic spectrum":"636.62933:5035710 637.63268:0 638.63604:0","MS/MS spectrum":"129.00722:6428 136.52965:6909 188.98311:9100 204.39301:9298 219.65871:7919 239.23906:104421 268.2666:15893 285.00409:9106 300.28995:39071 335.3291:167089 352.35455:51601 353.34375:97360 378.37585:662474 394.37033:136384 396.38773:13689 588.60815:207482 604.59668:237725 618.62689:16559 636.62097:643670"},{"Metabolite":"Cer 41:2;2O|Cer 17:1;2O/24:1","Alignment ID":"1685","Average Rt(min)":"14.539","Average Mz":"632.59875","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"12.86","Reference m/z":"632.59869","Formula":"C41H79NO3","Ontology":"Cer_NS","INCHIKEY":"IHCUODHUCJDYIO-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"83.8","Reverse dot product":"95.4","Fragment presence %":"100","S/N average":"32816.09","Spectrum reference file name":"210226_Hamze_MM-1835_051n","MS1 isotopic spectrum":"632.59839:39756832 633.60174:26124956 634.6051:6411060","MS/MS spectrum":"98.5613:5033 115.75292:5299 115.88675:5112 133.74838:6307 153.69344:7016 203.96072:8138 223.20705:30391 249.22348:24828 271.42679:9130 323.11356:9733 347.33136:28380 364.35583:36259 365.34354:18482 376.36087:16280 390.3732:105015 406.36758:16512 584.58105:17633 600.57849:20028 602.59045:43917 632.60437:61827"},{"Metabolite":"Cer 41:2;2O|Cer 18:2;2O/23:0","Alignment ID":"1684","Average Rt(min)":"14.74","Average Mz":"632.59827","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"12.82","Reference m/z":"632.59869","Formula":"C41H79NO3","Ontology":"Cer_NS","INCHIKEY":"YVMFSKMDQVDKIS-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"86","Reverse dot product":"93.7","Fragment presence %":"100","S/N average":"11853.42","Spectrum reference file name":"210226_Hamze_MM-1835_124n","MS1 isotopic spectrum":"632.59814:53420312 633.60149:34713904 634.60485:8743018","MS/MS spectrum":"223.20695:40948 235.20634:1494688 237.22157:57444 248.23781:74021 249.22337:48097 253.21629:20427 255.23131:20282 261.22327:1127670 264.23178:98412 266.24933:204297 267.2316:182618 279.2348:15643 296.25787:53373 335.33554:1200416 347.33121:29439 350.34622:18862 351.3623:27659 352.36151:1181679 353.3436:837767 364.35571:104858 365.34338:22526 366.37274:17802 376.36075:60704 378.3757:5204380 379.32578:25320 390.37305:148641 392.3515:22946 394.37015:891402 396.38757:33709 406.36743:27665 573.56964:14077 584.58081:697029 600.57825:858606 602.59027:1482231 614.58252:60375 632.60413:2304759"},{"Metabolite":"Cer 41:3;2O|Cer 18:2;2O/23:1","Alignment ID":"1671","Average Rt(min)":"13.739","Average Mz":"630.5813","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"12.05","Reference m/z":"630.58313","Formula":"C41H77NO3","Ontology":"Cer_NS","INCHIKEY":"AIZVKEJWJJNYKP-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"78.7","Reverse dot product":"94.6","Fragment presence %":"100","S/N average":"13514.14","Spectrum reference file name":"210226_Hamze_MM-1835_024n","MS1 isotopic spectrum":"630.58344:4022320 631.58679:2425018 632.59015:534681","MS/MS spectrum":"95.58582:6569 115.09657:6782 126.7054:6869 173.61256:7161 178.27017:51587 189.67967:9324 223.20715:31397 235.20656:127672 237.22179:10012 249.2236:18451 254.24933:12251 261.22348:84375 264.23203:9212 266.24957:18543 283.46582:10354 333.3143:116230 345.31784:21014 350.33951:93777 351.32727:60711 363.32779:13825 374.34662:16285 376.36108:448855 388.36057:111320 392.35184:74217 404.35236:14570 582.56824:74012 598.56116:87223 600.5788:143844 630.57666:227719"},{"Metabolite":"Cer 42:0;2O|Cer 18:0;2O/24:0","Alignment ID":"1829","Average Rt(min)":"16.405","Average Mz":"650.64502","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"13.42","Reference m/z":"650.64569","Formula":"C42H85NO3","Ontology":"Cer_NDS","INCHIKEY":"BPLYVSYSBPLDOA-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"85.2","Reverse dot product":"97.1","Fragment presence %":"100","S/N average":"17943.8","Spectrum reference file name":"210226_Hamze_MM-1835_065n","MS1 isotopic spectrum":"650.64532:18969128 651.64867:14357362 652.65203:3628384","MS/MS spectrum":"129.12532:6483 180.85872:8118 228.76175:11521 237.22174:12671 238.22527:9702 239.23517:56982 300.29004:18245 349.34882:94665 350.35352:15078 366.37302:31505 367.36139:57188 392.38516:323409 393.38852:46622 394.39566:35443 408.38052:63825 410.39047:12495 533.28857:8971 538.00043:9908 602.62244:129583 618.61053:142948 620.61432:20525 650.64587:481430"},{"Metabolite":"Cer 42:1;2O|Cer 18:0;2O/24:1","Alignment ID":"1813","Average Rt(min)":"15.404","Average Mz":"648.63293","Adduct type":"[M-H]-","Fill %":"0.524","MS/MS assigned":"TRUE","Reference RT":"13.22","Reference m/z":"648.63","Formula":"C42H83NO3","Ontology":"Cer_NDS","INCHIKEY":"WLDYKNUYRLBSJM-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"85.2","Reverse dot product":"94.6","Fragment presence %":"100","S/N average":"8478.07","Spectrum reference file name":"210226_Hamze_MM-1835_023n","MS1 isotopic spectrum":"648.63086:26091578 649.63421:18744148 650.63757:4705345","MS/MS spectrum":"178.24716:67524 235.20654:15905 236.20898:20791 238.22528:11246 239.23917:206991 262.22818:10187 268.26199:39779 300.29007:87058 347.33151:371773 349.34885:21501 350.35355:21621 351.35553:12989 364.34854:74127 365.34369:230630 390.37338:1610637 391.37735:35132 392.38519:58193 393.39694:55432 394.39569:66288 406.36777:267466 408.38055:34201 409.39258:12257 600.61035:503713 616.6001:594092 618.6106:58644 630.6106:27090 648.63702:1388408"},{"Metabolite":"Cer 42:2;2O|Cer 18:2;2O/24:0","Alignment ID":"1795","Average Rt(min)":"15.258","Average Mz":"646.61353","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"13.06","Reference m/z":"646.61438","Formula":"C42H81NO3","Ontology":"Cer_NS","INCHIKEY":"ZCUCZYYSYGKQQV-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"86.7","Reverse dot product":"94.1","Fragment presence %":"100","S/N average":"8579.41","Spectrum reference file name":"210226_Hamze_MM-1835_001n","MS1 isotopic spectrum":"646.61395:37279400 647.6173:22698320 648.62066:5502558","MS/MS spectrum":"178.27025:37133 235.20667:1340695 237.22189:99491 248.23814:61331 253.21663:24444 261.2236:940695 263.23883:49839 264.23215:94177 266.24969:193049 268.26212:11518 279.23517:21885 296.25827:45160 347.33167:43356 349.34903:1138118 364.35617:75059 365.34387:40885 366.37323:1086974 367.3616:655808 380.39145:13440 390.37357:206821 392.38538:4359268 393.3385:20656 406.36795:56311 408.38077:772006 410.40857:17353 571.58447:13231 587.5827:21022 598.59283:596484 610.59497:20521 614.58331:812762 616.6004:1299388 618.6109:16455 628.60938:44781 646.62:2036528"},{"Metabolite":"Cer 42:3;2O|Cer 18:2;2O/24:1","Alignment ID":"1782","Average Rt(min)":"14.229","Average Mz":"644.59955","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"12.67","Reference m/z":"644.59869","Formula":"C42H79NO3","Ontology":"Cer_NS","INCHIKEY":"RYZWCKUTHDRXFD-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"80.5","Reverse dot product":"94.1","Fragment presence %":"100","S/N average":"18226.25","Spectrum reference file name":"210226_Hamze_MM-1835_109n","MS1 isotopic spectrum":"644.59924:234519440 645.60259:153147536 646.60595:37948108","MS/MS spectrum":"128.42247:6678 157.72571:7162 178.27275:20721 201.04942:7784 235.2066:124322 237.22183:29604 261.22354:113601 263.23877:20814 264.23209:10312 266.24963:20574 315.55978:9681 345.311:9954 347.3316:116425 362.34091:17051 363.32785:12105 364.35611:143408 365.34378:73661 388.36066:112803 390.37347:517290 404.35245:16240 406.36786:99055 538.65771:11494 596.5694:77528 612.57599:96593 614.58319:174025 644.59436:243402"},{"Metabolite":"Cer 42:4;2O|Cer 18:2;2O/24:2","Alignment ID":"1769","Average Rt(min)":"13.491","Average Mz":"642.58282","Adduct type":"[M-H]-","Fill %":"0.676","MS/MS assigned":"TRUE","Reference RT":"12.13","Reference m/z":"642.58313","Formula":"C42H77NO3","Ontology":"Cer_NS","INCHIKEY":"VVROVHFWHBBWFZ-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCCC=CCC=CCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"84.6","Reverse dot product":"91.2","Fragment presence %":"100","S/N average":"5168.21","Spectrum reference file name":"210226_Hamze_MM-1835_069n","MS1 isotopic spectrum":"642.58307:3441165 643.58642:2019053 644.58978:455229","MS/MS spectrum":"113.60643:5574 116.19549:5657 134.95395:6421 140.12776:6676 178.26759:61133 235.20654:157942 261.22345:122106 264.23199:14006 266.24954:15464 345.31778:95390 362.34079:127335 363.32776:84459 377.6185:9571 386.33878:12932 388.36053:634477 404.35233:101230 594.55615:74319 610.56226:93330 612.57581:147842 642.57825:217930"},{"Metabolite":"Cer 42:5;2O|Cer 18:1;2O/24:4","Alignment ID":"1752","Average Rt(min)":"12.893","Average Mz":"640.56573","Adduct type":"[M-H]-","Fill %":"0.924","MS/MS assigned":"TRUE","Reference RT":"11.66","Reference m/z":"640.56738","Formula":"C42H75NO3","Ontology":"Cer_NS","INCHIKEY":"VTHRXEAFHUDRLW-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"80.4","Reverse dot product":"88.8","Fragment presence %":"100","S/N average":"444.08","Spectrum reference file name":"210226_Hamze_MM-1835_092n","MS1 isotopic spectrum":"640.56763:2060116 641.57098:1305835 642.57434:363500","MS/MS spectrum":"109.51202:5487 132.16983:6996 132.36418:6005 173.10519:7992 217.06044:8415 237.22171:129830 250.25322:9817 263.23862:82922 266.24948:16500 268.26193:15852 287.85107:8974 315.30698:19611 341.28833:32525 358.30905:26539 359.29419:55320 384.32458:375124 400.32309:55472 592.5531:57980 608.54254:57615 610.56207:69241 640.57153:124358"},{"Metabolite":"Cer 43:2;2O|Cer 18:1;2O/25:1","Alignment ID":"1910","Average Rt(min)":"16.322","Average Mz":"660.62891","Adduct type":"[M-H]-","Fill %":"0.793","MS/MS assigned":"TRUE","Reference RT":"13.22","Reference m/z":"660.63","Formula":"C43H83NO3","Ontology":"Cer_NS","INCHIKEY":"AHNGOTQGIJOINE-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"95.4","Reverse dot product":"95.9","Fragment presence %":"100","S/N average":"9419.65","Spectrum reference file name":"210226_Hamze_MM-1835_041n","MS1 isotopic spectrum":"660.63074:875952 661.63409:630948 662.63745:4736823","MS/MS spectrum":"154.7939:7256 237.22182:44758 263.23874:42497 361.35059:26693 378.37607:30410 404.38733:143912 420.37939:22169 612.60852:17299 628.60919:28102 630.62775:35052 660.63159:95876"},{"Metabolite":"Cer 43:2;2O|Cer 19:1;2O/24:1","Alignment ID":"1912","Average Rt(min)":"15.364","Average Mz":"660.62982","Adduct type":"[M-H]-","Fill %":"0.897","MS/MS assigned":"TRUE","Reference RT":"13.25","Reference m/z":"660.63","Formula":"C43H83NO3","Ontology":"Cer_NS","INCHIKEY":"DZYXYUUEPCKTHY-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"83.4","Reverse dot product":"95.6","Fragment presence %":"100","S/N average":"4706.03","Spectrum reference file name":"210226_Hamze_MM-1835_061n","MS1 isotopic spectrum":"660.62988:7546264 661.63323:5322638 662.63659:1314646","MS/MS spectrum":"120.13226:6276 122.04352:6575 141.99312:7104 156.3502:7015 237.22183:24389 251.23813:132227 263.23419:17649 277.25177:108546 282.28079:12866 347.3316:103042 361.34323:16074 364.35611:105141 365.34378:67516 378.3761:11651 390.37347:455424 404.38736:95470 405.37579:9859 406.36786:72886 420.37943:17073 612.60858:73293 628.60919:75338 630.61078:141402 660.63159:262482"},{"Metabolite":"Cer 43:3;2O|Cer 18:2;2O/25:1","Alignment ID":"1890","Average Rt(min)":"14.735","Average Mz":"658.61499","Adduct type":"[M-H]-","Fill %":"0.945","MS/MS assigned":"TRUE","Reference RT":"12.96","Reference m/z":"658.61438","Formula":"C43H81NO3","Ontology":"Cer_NS","INCHIKEY":"PRQHHZIQQQIQCV-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"81.6","Reverse dot product":"94.5","Fragment presence %":"100","S/N average":"3973.08","Spectrum reference file name":"210226_Hamze_MM-1835_116n","MS1 isotopic spectrum":"658.61517:1111124 659.61852:650489 660.62188:201219","MS/MS spectrum":"119.36263:6379 121.3028:5933 124.18476:6495 160.30916:8001 235.20653:58497 237.22568:10325 261.22345:42915 277.25662:9162 361.35049:60424 378.37598:43543 379.35779:26553 388.35233:11757 390.37335:10011 402.36917:16118 404.38724:231560 420.38855:31852 610.5946:42807 626.58331:40956 628.60901:67386 658.32208:31214 658.61237:117773"},{"Metabolite":"Cer 44:0;2O|Cer 20:0;2O/24:0","Alignment ID":"2066","Average Rt(min)":"17.353","Average Mz":"678.6759","Adduct type":"[M-H]-","Fill %":"0.993","MS/MS assigned":"TRUE","Reference RT":"13.54","Reference m/z":"678.677","Formula":"C44H89NO3","Ontology":"Cer_NDS","INCHIKEY":"OEROUXQFUNUVIP-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"88.4","Reverse dot product":"96.5","Fragment presence %":"100","S/N average":"7347.6","Spectrum reference file name":"210226_Hamze_MM-1835_109n","MS1 isotopic spectrum":"678.67657:1969221 679.67992:1472626 680.68328:183625","MS/MS spectrum":"119.70926:6194 126.77743:7016 138.79276:8072 152.40669:7315 154.74843:9118 158.72365:7531 166.3271:7578 170.25305:9273 173.56102:7954 178.24464:36011 194.28909:10160 261.47757:9027 267.26941:42573 328.32703:18434 349.34894:62371 364.35611:12318 366.37317:23863 367.30859:10007 367.36151:42688 392.38528:311125 408.38068:65599 420.42569:22743 630.66174:99264 646.65515:130965 678.67725:367250"},{"Metabolite":"Cer 44:1;2O|Cer 18:1;2O/26:0","Alignment ID":"2051","Average Rt(min)":"17.028","Average Mz":"676.65924","Adduct type":"[M-H]-","Fill %":"0.959","MS/MS assigned":"TRUE","Reference RT":"13.48","Reference m/z":"676.66132","Formula":"C44H87NO3","Ontology":"Cer_NS","INCHIKEY":"CJROVRTUSFQVMR-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"83.5","Reverse dot product":"96.8","Fragment presence %":"100","S/N average":"7042.07","Spectrum reference file name":"210226_Hamze_MM-1835_095n","MS1 isotopic spectrum":"676.66156:6692450 677.66491:3762834 678.66827:0","MS/MS spectrum":"91.0304:4499 108.51601:5828 160.22633:8284 208.72122:8996 231.25229:8430 237.22168:47524 263.23859:40144 268.26187:11573 364.35587:18453 377.37424:37120 392.39337:25068 394.40396:41383 395.38977:30014 406.41159:12276 420.42542:170288 436.41724:24804 570.74854:8790 628.64264:24514 644.62909:37396 646.65472:58090 676.66901:129792"},{"Metabolite":"Cer 44:2;2O|Cer 18:1;2O/26:1","Alignment ID":"2033","Average Rt(min)":"16.017","Average Mz":"674.64374","Adduct type":"[M-H]-","Fill %":"0.869","MS/MS assigned":"TRUE","Reference RT":"13.36","Reference m/z":"674.64569","Formula":"C44H85NO3","Ontology":"Cer_NS","INCHIKEY":"AQKMDEJRGNVGLA-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"88.2","Reverse dot product":"95","Fragment presence %":"100","S/N average":"20319.02","Spectrum reference file name":"210226_Hamze_MM-1835_126n","MS1 isotopic spectrum":"674.64575:3114644 675.6491:1986154 676.65246:0","MS/MS spectrum":"99.04213:5842 122.85085:5923 140.78004:6795 178.24709:18675 185.44905:10073 237.22166:76154 252.53853:8372 263.23859:53135 291.26855:12599 375.35944:67919 390.3732:11035 392.39337:74248 393.37164:36904 418.4057:273769 434.39798:37100 626.63361:39424 642.61298:41392 644.62909:69563 674.65131:149111"},{"Metabolite":"Cer 44:2;2O|Cer 20:2;2O/24:0","Alignment ID":"2034","Average Rt(min)":"16.262","Average Mz":"674.64392","Adduct type":"[M-H]-","Fill %":"0.779","MS/MS assigned":"TRUE","Reference RT":"13.34","Reference m/z":"674.64569","Formula":"C44H85NO3","Ontology":"Cer_NS","INCHIKEY":"VIZGNXHNIAGUSG-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCC=CCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"FALSE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"72.2","Reverse dot product":"97","Fragment presence %":"100","S/N average":"7135.81","Spectrum reference file name":"210226_Hamze_MM-1835_099n","MS1 isotopic spectrum":"674.64496:1294113 675.64831:1313003 676.65167:674286","MS/MS spectrum":"95.91976:4394 101.74625:6053 113.6597:6212 177.46523:6907 178.24196:30054 184.86203:7081 235.20642:14950 261.22333:14820 263.23856:32858 289.25616:18392 349.34866:40297 357.96695:8784 366.37286:21801 367.35367:12487 377.38205:13126 392.39334:108179 394.4039:16428 405.09521:11059 408.38922:11617 420.42538:65417 626.63354:21786 642.61292:22127 644.62903:37429 674.65125:93156"},{"Metabolite":"Cer 44:3;2O|Cer 20:2;2O/24:1","Alignment ID":"2015","Average Rt(min)":"15.238","Average Mz":"672.62933","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"13.14","Reference m/z":"672.63","Formula":"C44H83NO3","Ontology":"Cer_NS","INCHIKEY":"ZDGAESDHAXVECB-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCC=CCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"78","Reverse dot product":"95.7","Fragment presence %":"100","S/N average":"12921.79","Spectrum reference file name":"210226_Hamze_MM-1835_033n","MS1 isotopic spectrum":"672.62994:684624 673.63329:457111 674.63665:112406","MS/MS spectrum":"125.46955:6892 136.42188:7454 192.36978:7360 224.84526:9220 261.22351:8635 263.23874:44652 289.25638:22619 347.33157:37615 364.35608:24302 365.34375:16834 390.37344:109980 406.36783:14634 416.39163:24109 418.40594:41405 434.39822:12202 624.6178:28404 640.60663:30279 642.61334:47384 672.62451:72563"},{"Metabolite":"Cer 45:0;2O|Cer 21:0;2O/24:0","Alignment ID":"2184","Average Rt(min)":"17.781","Average Mz":"692.69214","Adduct type":"[M-H]-","Fill %":"0.814","MS/MS assigned":"TRUE","Reference RT":"13.67","Reference m/z":"692.69263","Formula":"C45H91NO3","Ontology":"Cer_NDS","INCHIKEY":"XTPDDXZLFXOICA-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"71.2","Reverse dot product":"93.5","Fragment presence %":"100","S/N average":"591.36","Spectrum reference file name":"210226_Hamze_MM-1835_123n","MS1 isotopic spectrum":"692.69263:1556197 693.69598:902278 694.69934:0","MS/MS spectrum":"172.45889:8656 175.44679:7452 178.24188:23550 217.18398:8632 267.2691:16808 270.64096:11191 281.28503:12986 349.34854:29022 350.33917:9232 363.36462:20861 364.35568:14612 366.37274:12701 367.35352:15378 378.37567:50461 381.37259:21392 392.39319:111994 406.40259:99429 408.38907:23585 422.40366:18922 423.88025:9098 431.59235:10778 445.08984:8698 644.66394:88574 660.6673:111216 692.39722:12359 692.69073:301276"},{"Metabolite":"Cer 45:1;2O|Cer 21:1;2O/24:0","Alignment ID":"2168","Average Rt(min)":"17.421","Average Mz":"690.67578","Adduct type":"[M-H]-","Fill %":"0.634","MS/MS assigned":"TRUE","Reference RT":"13.55","Reference m/z":"690.677","Formula":"C45H89NO3","Ontology":"Cer_NS","INCHIKEY":"JXNOAHBPZPUBDQ-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"62.5","Reverse dot product":"96.3","Fragment presence %":"100","S/N average":"45.01","Spectrum reference file name":"210226_Hamze_MM-1835_124n","MS1 isotopic spectrum":"690.67578:1895831 691.67913:1276090 692.68249:184205","MS/MS spectrum":"100.31466:5324 103.95682:6048 137.71744:6311 144.78017:7154 153.17302:8805 265.25391:28447 279.26987:38464 291.26843:30341 293.28564:9020 305.28473:21798 335.32895:14381 349.34854:22513 363.36462:20114 366.37274:20928 367.36111:18254 378.3757:29811 380.39093:26356 381.37262:13935 392.39322:73395 406.40262:99563 408.3891:15448 420.42523:15611 642.66516:33579 657.16241:10097 658.64813:44036 660.66736:63530 690.67902:96354"},{"Metabolite":"Cer 45:2;2O|Cer 18:1;2O/27:1","Alignment ID":"2149","Average Rt(min)":"17.319","Average Mz":"688.6593","Adduct type":"[M-H]-","Fill %":"0.917","MS/MS assigned":"TRUE","Reference RT":"13.46","Reference m/z":"688.66132","Formula":"C45H87NO3","Ontology":"Cer_NS","INCHIKEY":"HESCTTXNHAGHAM-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"89.4","Reverse dot product":"95.2","Fragment presence %":"100","S/N average":"289.68","Spectrum reference file name":"210226_Hamze_MM-1835_112n","MS1 isotopic spectrum":"688.66144:1742990 689.66479:1024795 690.66815:356950","MS/MS spectrum":"104.28203:5423 112.33785:5618 115.28508:5506 123.65308:7528 181.56068:7350 187.33162:8222 225.77484:8143 237.2218:106682 255.23157:10412 263.23874:80213 268.26202:22916 389.38156:89194 406.40302:88259 407.39001:52291 432.42191:372340 448.41577:64924 640.64142:37531 656.63885:58525 658.6488:92368 688.65729:218995"},{"Metabolite":"Cer 46:0;2O|Cer 22:0;2O/24:0","Alignment ID":"2325","Average Rt(min)":"18.222","Average Mz":"706.70789","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"13.81","Reference m/z":"706.70831","Formula":"C46H93NO3","Ontology":"Cer_NDS","INCHIKEY":"VOMYUHDMPMJUAX-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)CCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"79.5","Reverse dot product":"96.1","Fragment presence %":"100","S/N average":"1641.95","Spectrum reference file name":"210226_Hamze_MM-1835_121n","MS1 isotopic spectrum":"706.70795:2424207 707.7113:1813225 708.71466:481637","MS/MS spectrum":"196.61836:8847 267.26917:13931 295.30209:59038 321.31876:19675 324.32666:10038 334.11914:9420 336.32675:31752 338.34232:12382 339.32672:10909 349.3486:84679 356.35074:16157 364.35574:86484 366.3728:30460 367.36115:45666 377.38199:11029 380.35114:19436 390.37308:34498 392.39325:342694 406.40265:32019 408.38028:68525 420.42529:44411 573.37799:10155 630.72919:10399 646.6192:48077 658.68451:201937 674.68872:200618 706.69977:551549"},{"Metabolite":"Cer 46:1;2O|Cer 20:1;2O/26:0","Alignment ID":"2307","Average Rt(min)":"17.879","Average Mz":"704.69269","Adduct type":"[M-H]-","Fill %":"0.876","MS/MS assigned":"TRUE","Reference RT":"13.65","Reference m/z":"704.69263","Formula":"C46H91NO3","Ontology":"Cer_NS","INCHIKEY":"VEMKTJHNOOUCRU-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"80.7","Reverse dot product":"97","Fragment presence %":"100","S/N average":"66.69","Spectrum reference file name":"210226_Hamze_MM-1835_116n","MS1 isotopic spectrum":"704.69354:752568 705.69689:384695 706.70025:100442","MS/MS spectrum":"102.58785:5473 106.93269:5466 124.07636:7304 178.24458:37978 197.33383:11131 204.67889:8326 213.07822:8094 227.29771:8933 265.25412:20907 291.26865:24650 366.37305:9694 377.38223:19372 392.38516:33488 394.40408:16538 420.42557:80726 436.41739:11221 656.67487:22141 672.66187:26802 674.68921:27099 704.68744:69058"},{"Metabolite":"Cer 47:0;2O|Cer 22:0;2O/25:0","Alignment ID":"2479","Average Rt(min)":"18.634","Average Mz":"720.7229","Adduct type":"[M-H]-","Fill %":"0.8","MS/MS assigned":"TRUE","Reference RT":"14.04","Reference m/z":"720.72388","Formula":"C47H95NO3","Ontology":"Cer_NDS","INCHIKEY":"CMLMEILAPQCIKC-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)CCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"68.7","Reverse dot product":"91","Fragment presence %":"100","S/N average":"168.11","Spectrum reference file name":"210226_Hamze_MM-1835_121n","MS1 isotopic spectrum":"720.72296:794578 721.72631:818117 722.72967:262627","MS/MS spectrum":"105.78204:4989 114.65363:5848 128.06993:5770 148.26086:6987 155.97917:7829 245.21696:8774 255.23134:9360 270.39258:8815 295.29663:11760 303.16537:9652 335.32898:12192 349.3486:11637 363.36469:23100 364.36319:32659 377.38199:13772 378.37573:39495 381.37265:22008 392.39325:54605 406.40265:105095 420.42529:50999 422.40372:19275 672.69885:81355 688.6955:101515 720.59766:45038 720.72229:254014"},{"Metabolite":"Cer 48:0;2O|Cer 24:0;2O/24:0","Alignment ID":"2626","Average Rt(min)":"19.031","Average Mz":"734.7392","Adduct type":"[M-H]-","Fill %":"0.724","MS/MS assigned":"TRUE","Reference RT":"14.24","Reference m/z":"734.73962","Formula":"C48H97NO3","Ontology":"Cer_NDS","INCHIKEY":"FYXOQZCSSKQEMX-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)CCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"79.5","Reverse dot product":"96.5","Fragment presence %":"100","S/N average":"463.54","Spectrum reference file name":"210226_Hamze_MM-1835_124n","MS1 isotopic spectrum":"734.7392:1590707 735.74255:2091501 736.74591:557152","MS/MS spectrum":"112.98484:8010 129.27187:6809 204.09518:8572 279.2348:9137 290.51199:9108 295.30206:9753 321.31873:19801 323.33179:53605 335.32895:10371 337.35556:9556 339.32669:11879 349.34857:55695 351.3623:19765 352.3544:10941 364.35571:94516 366.37277:27707 367.35355:36963 377.38193:17696 378.3757:31621 384.38101:18637 392.39322:286453 399.17297:9343 406.40262:14767 408.38022:57261 420.42523:72539 436.41705:19271 686.72034:151905 702.7027:169338 716.72943:14542 734.73846:489137"},{"Metabolite":"Cer 48:1;2O|Cer 20:1;2O/28:0","Alignment ID":"2600","Average Rt(min)":"18.749","Average Mz":"732.7226","Adduct type":"[M-H]-","Fill %":"0.683","MS/MS assigned":"TRUE","Reference RT":"13.94","Reference m/z":"732.72388","Formula":"C48H95NO3","Ontology":"Cer_NS","INCHIKEY":"CZDSGZAXVMEXFM-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"79.4","Reverse dot product":"94.8","Fragment presence %":"100","S/N average":"167.62","Spectrum reference file name":"210226_Hamze_MM-1835_101n","MS1 isotopic spectrum":"732.72296:336867 733.72631:354140 734.72967:82393","MS/MS spectrum":"118.66835:7323 120.71107:5589 173.41127:7136 265.25403:30526 279.23492:14062 291.26855:16437 405.41061:28774 420.42545:8786 422.44116:16559 423.42172:16608 448.45633:105174 464.45236:23000 648.72546:9270 683.19836:9722 684.69635:12923 700.70721:24931 702.703:37015 705.95428:9247 732.73291:62957"},{"Metabolite":"CL 64:1|CL 14:0_16:0_16:0_18:1","Alignment ID":"5591","Average Rt(min)":"17.118","Average Mz":"1349.94861","Adduct type":"[M-H]-","Fill %":"0.621","MS/MS assigned":"TRUE","Reference RT":"13.4","Reference m/z":"1349.94934","Formula":"C73H140O17P2","Ontology":"CL","INCHIKEY":"KCRJVDUPGWYOBG-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"65.7","Reverse dot product":"39.4","Fragment presence %":"100","S/N average":"97.47","Spectrum reference file name":"210226_Hamze_MM-1835_139n","MS1 isotopic spectrum":"1349.9436:512796 1350.94695:732967 1351.95031:823578","MS/MS spectrum":"90.9717:5151 93.55479:4836 125.85368:6842 152.99622:53405 178.24203:15804 199.44597:7536 201.22699:9584 227.20207:37534 255.23151:175715 281.24982:43287 344.34836:10197 363.19391:14212 391.22772:74486 409.23251:27234 485.24402:9363 619.43738:17489 673.46777:11742"},{"Metabolite":"CL 66:2|CL 14:0_18:1_16:0_18:1","Alignment ID":"5620","Average Rt(min)":"17.218","Average Mz":"1375.96204","Adduct type":"[M-H]-","Fill %":"0.531","MS/MS assigned":"TRUE","Reference RT":"13.49","Reference m/z":"1375.96484","Formula":"C75H142O17P2","Ontology":"CL","INCHIKEY":"GMVLBUSQGKWCNV-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"59.9","Reverse dot product":"46.9","Fragment presence %":"100","S/N average":"2392.84","Spectrum reference file name":"210226_Hamze_MM-1835_135n","MS1 isotopic spectrum":"1375.96252:5296934 1376.96587:14400072 1377.96923:8154580","MS/MS spectrum":"94.16796:4838 94.75645:5154 104.52944:5188 104.68682:5303 106.03726:5676 113.06495:5244 128.35374:6329 152.99423:91333 178.27275:36620 227.20213:109985 253.21655:20237 255.23158:170113 281.24991:123522 296.88879:10186 321.13361:9035 363.19403:42562 381.20514:18648 391.22784:54859 409.23264:24566 417.24139:20445 645.45624:19513 665.93213:9693 673.48676:14981 821.52258:9783 1111.77942:10269"},{"Metabolite":"CL 66:5|CL 14:0_18:2_16:1_18:2","Alignment ID":"5614","Average Rt(min)":"15.527","Average Mz":"1369.91846","Adduct type":"[M-H]-","Fill %":"0.552","MS/MS assigned":"TRUE","Reference RT":"13.04","Reference m/z":"1369.91797","Formula":"C75H136O17P2","Ontology":"CL","INCHIKEY":"RPIRJVQVFVYKFH-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"51.8","Reverse dot product":"37.9","Fragment presence %":"100","S/N average":"584.61","Spectrum reference file name":"210226_Hamze_MM-1835_133n","MS1 isotopic spectrum":"1369.91907:4716586 1370.92242:12900274 1371.92578:7335436","MS/MS spectrum":"152.99423:264138 199.17113:82737 225.18594:20572 227.20215:72969 253.21657:495365 279.23511:483659 281.24994:57032 335.16455:20209 353.17291:15932 363.19406:19089 389.20844:112883 407.22238:55267 415.22641:109280 417.24142:10236 433.2341:45084 464.97971:9327 643.43628:14632 669.45178:17962 1190.87048:10528"},{"Metabolite":"CL 66:6|CL 12:0_18:2_18:2_18:2","Alignment ID":"5612","Average Rt(min)":"14.973","Average Mz":"1367.8999","Adduct type":"[M-H]-","Fill %":"0.503","MS/MS assigned":"TRUE","Reference RT":"13.03","Reference m/z":"1367.90234","Formula":"C75H134O17P2","Ontology":"CL","INCHIKEY":"WUNUEASQIFXZMI-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"52.7","Reverse dot product":"37.4","Fragment presence %":"100","S/N average":"517.29","Spectrum reference file name":"210226_Hamze_MM-1835_103n","MS1 isotopic spectrum":"1367.89954:433793 1368.90289:930682 1369.90625:769778","MS/MS spectrum":"98.34003:4917 103.79889:5424 152.99622:69922 199.17105:73461 225.18587:12214 253.21648:24831 279.23502:234336 335.16443:31890 368.72598:9914 415.22626:45153 433.23395:21159 475.34448:8959 600.68933:9394 615.40173:12111 695.45959:10664 722.24176:10093 929.9162:11132"},{"Metabolite":"CL 68:3|CL 16:0_18:1_16:1_18:1","Alignment ID":"5644","Average Rt(min)":"17.374","Average Mz":"1401.97925","Adduct type":"[M-H]-","Fill %":"0.607","MS/MS assigned":"TRUE","Reference RT":"13.49","Reference m/z":"1401.98059","Formula":"C77H144O17P2","Ontology":"CL","INCHIKEY":"GEJZGBPRNMAZRP-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"54.9","Reverse dot product":"68.4","Fragment presence %":"100","S/N average":"19299.72","Spectrum reference file name":"210226_Hamze_MM-1835_131n","MS1 isotopic spectrum":"1401.97925:62994356 1402.9826:173227424 1403.98596:106257336","MS/MS spectrum":"94.34088:4313 96.89449:6084 102.03233:5565 117.63562:5957 124.27697:5895 129.17737:6863 133.9846:6532 149.59378:8166 152.99423:83184 193.78702:7636 227.20213:10108 253.21655:122643 254.2189:11124 255.23158:165485 263.71173:9054 279.23508:13664 281.24991:133452 389.2084:39413 391.22784:42770 407.22235:14542 409.23264:11376 417.24139:12221 623.69696:10227 671.46478:10692 673.48676:14102 1242.71741:10162 1401.99487:13175"},{"Metabolite":"CL 68:6|CL 16:1_18:2_16:1_18:2","Alignment ID":"5637","Average Rt(min)":"15.682","Average Mz":"1395.93274","Adduct type":"[M-H]-","Fill %":"0.614","MS/MS assigned":"TRUE","Reference RT":"13.19","Reference m/z":"1395.93359","Formula":"C77H138O17P2","Ontology":"CL","INCHIKEY":"BEYPDBGNUSYQIM-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"63.5","Reverse dot product":"46.8","Fragment presence %":"100","S/N average":"10526.63","Spectrum reference file name":"210226_Hamze_MM-1835_097n","MS1 isotopic spectrum":"1395.93262:44494720 1396.93597:122242520 1397.93933:68551616","MS/MS spectrum":"96.96923:10301 152.99617:401046 170.87239:7731 178.26753:117574 206.79211:7856 225.18579:22183 227.202:8405 253.2164:810514 279.23492:1117358 281.24973:35068 285.0351:9054 296.36752:9752 389.20816:162607 407.22211:86879 415.22614:266964 433.23383:106993 489.26257:13031 627.3078:9058 643.43579:17209 669.45129:59714 695.45935:10042 725.4826:14895 911.7951:10058 936.86603:9054 971.60944:9491 1395.92651:10478"},{"Metabolite":"CL 68:7|CL 14:1_18:2_18:2_18:2","Alignment ID":"5632","Average Rt(min)":"15.141","Average Mz":"1393.91821","Adduct type":"[M-H]-","Fill %":"0.745","MS/MS assigned":"TRUE","Reference RT":"13.04","Reference m/z":"1393.91797","Formula":"C77H136O17P2","Ontology":"CL","INCHIKEY":"UJJNAZHMSMQPAE-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"49.9","Reverse dot product":"33.6","Fragment presence %":"100","S/N average":"240.05","Spectrum reference file name":"210226_Hamze_MM-1835_102n","MS1 isotopic spectrum":"1393.91809:937262 1394.92144:1111392 1395.9248:921220","MS/MS spectrum":"95.32445:6876 136.00874:6724 150.56296:8177 152.99416:141684 225.18584:106132 253.21645:39276 277.21695:21482 279.23495:455298 361.18088:25563 370.17456:8648 379.19119:10544 401.27078:9177 415.2262:89910 433.23389:51632 547.42078:9359 611.45404:10190 641.40796:10547 695.47919:18291 731.64813:8939"},{"Metabolite":"CL 69:2|CL 16:0_18:1_17:0_18:1","Alignment ID":"5660","Average Rt(min)":"18.154","Average Mz":"1418.01367","Adduct type":"[M-H]-","Fill %":"0.524","MS/MS assigned":"TRUE","Reference RT":"13.77","Reference m/z":"1418.01184","Formula":"C78H148O17P2","Ontology":"CL","INCHIKEY":"XSHOOFLDXVZYFJ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"65.2","Reverse dot product":"47.9","Fragment presence %":"100","S/N average":"376.85","Spectrum reference file name":"210226_Hamze_MM-1835_127n","MS1 isotopic spectrum":"1418.01428:1163221 1419.01763:3174747 1420.02099:1847950","MS/MS spectrum":"94.55173:4669 98.39344:5178 115.44735:6235 138.10878:7438 152.99619:63284 158.22876:7395 162.75136:7361 168.30681:8638 170.17667:7434 178.26756:49017 221.33916:8318 242.11749:9783 255.23148:108494 269.25064:97598 281.24979:121666 391.22766:42635 405.2442:37767 409.24133:16259 417.24121:19888 423.25345:16720 673.48645:12444 687.49426:15595 711.66809:9384"},{"Metabolite":"CL 69:3|CL 16:0_18:2_17:0_18:1","Alignment ID":"5657","Average Rt(min)":"17.65","Average Mz":"1415.99634","Adduct type":"[M-H]-","Fill %":"0.538","MS/MS assigned":"TRUE","Reference RT":"13.62","Reference m/z":"1415.99634","Formula":"C78H146O17P2","Ontology":"CL","INCHIKEY":"AMIOPVWBGAUIOD-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"54.2","Reverse dot product":"43.7","Fragment presence %":"100","S/N average":"560.69","Spectrum reference file name":"210226_Hamze_MM-1835_113n","MS1 isotopic spectrum":"1415.99756:3014104 1417.00091:6322404 1418.00427:3859762","MS/MS spectrum":"135.67729:7570 152.99623:232978 156.87627:7406 178.27272:34851 241.21805:18889 253.22084:10195 255.23154:461905 267.23184:27246 269.2507:161018 279.23505:168675 281.24985:133725 282.70895:8979 283.26608:19127 295.26419:74637 313.5293:9686 377.20917:14631 391.22778:171444 405.24429:52416 409.23257:73667 415.22632:17669 417.24133:14436 423.25357:22611 596.53796:10330 671.46472:17993 685.48602:10392 687.49445:19859"},{"Metabolite":"CL 69:5|CL 34:2_35:3","Alignment ID":"5653","Average Rt(min)":"17.548","Average Mz":"1411.95923","Adduct type":"[M-H]-","Fill %":"0.614","MS/MS assigned":"TRUE","Reference RT":"13.35","Reference m/z":"1411.96484","Formula":"C78H142O17P2","Ontology":"CL","INCHIKEY":"BDOLFSCNCDXEQE-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"50.5","Reverse dot product":"65","Fragment presence %":"100","S/N average":"139.33","Spectrum reference file name":"210226_Hamze_MM-1835_113n","MS1 isotopic spectrum":"1411.95959:747812 1412.96294:1423953 1413.9663:1428444","MS/MS spectrum":"102.25843:5451 115.41143:6663 152.99623:16912 162.39085:8082 166.55301:7765 241.21805:20693 242.65239:8182 255.23154:48317 263.27081:8776 279.23004:14326 281.24985:46881 377.20917:11317 391.22778:19759 417.24133:12985 453.41202:10375 683.44794:11920 817.44208:40676 831.44611:49565 1147.73389:12592 1181.22192:10722 1411.96777:101705"},{"Metabolite":"CL 69:6|CL 16:1_18:2_17:1_18:2","Alignment ID":"5652","Average Rt(min)":"16.026","Average Mz":"1409.94495","Adduct type":"[M-H]-","Fill %":"0.586","MS/MS assigned":"TRUE","Reference RT":"13.3","Reference m/z":"1409.94934","Formula":"C78H140O17P2","Ontology":"CL","INCHIKEY":"GHRDZPHDWCYSOX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCCCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"58.8","Reverse dot product":"40.4","Fragment presence %":"100","S/N average":"1265.37","Spectrum reference file name":"210226_Hamze_MM-1835_130n","MS1 isotopic spectrum":"1409.94702:4047249 1410.95037:11318922 1411.95373:5244747","MS/MS spectrum":"120.18316:6959 152.99422:214675 178.27274:25032 237.46915:8426 241.21806:8854 253.21654:203935 265.21707:8977 267.23187:163594 279.23007:523580 281.24988:12256 372.44864:9520 389.20837:54119 403.22858:29675 404.31747:10284 407.22232:31457 409.57059:8399 415.22635:124129 421.23206:15285 433.23407:52866 669.45172:22996 683.46722:13476"},{"Metabolite":"CL 70:4|CL 16:0_18:1_18:1_18:2","Alignment ID":"5673","Average Rt(min)":"17.445","Average Mz":"1427.99597","Adduct type":"[M-H]-","Fill %":"0.607","MS/MS assigned":"TRUE","Reference RT":"13.53","Reference m/z":"1427.99634","Formula":"C79H146O17P2","Ontology":"CL","INCHIKEY":"ANTTZFFJZZAXFT-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"56.1","Reverse dot product":"71.9","Fragment presence %":"100","S/N average":"27880.32","Spectrum reference file name":"210226_Hamze_MM-1835_072n","MS1 isotopic spectrum":"1427.99475:86466648 1428.9981:202346640 1430.00146:116501288","MS/MS spectrum":"134.98592:12134 152.9962:704553 171.00681:17052 178.27524:19667 253.21646:97505 255.23149:1116545 256.23703:100099 257.23965:19363 269.25064:13085 279.23499:901230 280.23465:26857 281.24982:1090619 282.25012:40232 283.2558:13663 303.23358:19968 307.26465:22412 389.20828:30132 391.22769:343722 392.22662:45715 407.22223:10200 409.23248:170002 410.23877:13851 415.22626:258161 417.24124:129362 433.23395:115241 435.25482:39600 664.42145:10876 673.48651:73664 697.47247:65262 699.49414:13607 729.50677:19320 809.47076:25109 830.44293:21354 831.44592:20166 832.45074:35826 833.4574:41898 834.46588:22433 1124.18066:11040 1427.99622:148750"},{"Metabolite":"CL 70:5|CL 16:0_18:1_18:2_18:2","Alignment ID":"5672","Average Rt(min)":"17.856","Average Mz":"1425.97717","Adduct type":"[M-H]-","Fill %":"0.572","MS/MS assigned":"TRUE","Reference RT":"13.37","Reference m/z":"1425.98059","Formula":"C79H144O17P2","Ontology":"CL","INCHIKEY":"NRSNLZLGIJBZSA-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"48.7","Reverse dot product":"72.6","Fragment presence %":"100","S/N average":"6220.78","Spectrum reference file name":"210226_Hamze_MM-1835_120n","MS1 isotopic spectrum":"1425.9762:20761146 1426.97955:44471388 1427.98291:33462226","MS/MS spectrum":"134.98587:30156 152.99615:681512 178.26752:112877 214.95052:32649 253.21638:25752 254.9427:136539 255.23141:3094479 279.23489:90503 281.24973:2290256 288.987:13145 310.96991:61703 391.22757:1809324 409.24127:22134 415.2261:20189 417.24112:376312 447.25549:17462 465.2594:36363 527.21857:33823 549.19897:79676 567.20752:304859 575.21051:86316 593.21948:89978 673.48633:21936 695.45935:74559 729.50653:245597 735.44495:20833 747.51935:72105 809.47046:36331 831.44568:4070032 849.46899:209637 857.50031:14350 865.50934:151350 905.50171:72952 1121.75598:189053 1143.73596:171685 1147.77515:27518 1161.72034:529104 1169.75439:138016 1187.74292:172261 1425.97009:3798081"},{"Metabolite":"CL 70:5|CL 16:1_18:1_18:1_18:2","Alignment ID":"5671","Average Rt(min)":"16.926","Average Mz":"1425.97656","Adduct type":"[M-H]-","Fill %":"0.586","MS/MS assigned":"TRUE","Reference RT":"13.36","Reference m/z":"1425.98059","Formula":"C79H144O17P2","Ontology":"CL","INCHIKEY":"RQDYMPBDKOFJQR-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"51.8","Reverse dot product":"69.2","Fragment presence %":"100","S/N average":"40632.56","Spectrum reference file name":"210226_Hamze_MM-1835_116n","MS1 isotopic spectrum":"1425.97693:175329264 1426.98028:336300096 1427.98364:245803040","MS/MS spectrum":"134.68501:6376 142.71889:7384 152.99622:204932 166.04413:8344 178.27014:39045 183.40273:7100 191.33972:7620 193.91447:7914 221.32152:8877 227.20207:11646 253.21648:235330 254.22318:15059 255.23151:124856 256.23703:25363 279.23502:410227 280.23468:39309 281.24982:270133 282.25525:11023 389.20831:47965 391.22772:45117 407.22223:29769 409.24142:18679 415.22626:101254 417.24127:34396 433.23395:49939 435.25485:8818 671.48328:19112 697.49231:22127 968.39856:9516 1425.97058:38393"},{"Metabolite":"CL 70:6|CL 16:0_18:2_18:2_18:2","Alignment ID":"5668","Average Rt(min)":"17.37","Average Mz":"1423.9624","Adduct type":"[M-H]-","Fill %":"0.559","MS/MS assigned":"TRUE","Reference RT":"13.32","Reference m/z":"1423.96484","Formula":"C79H142O17P2","Ontology":"CL","INCHIKEY":"PPNASYWUDWBRIL-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"45.4","Reverse dot product":"79.8","Fragment presence %":"100","S/N average":"5944.98","Spectrum reference file name":"210226_Hamze_MM-1835_078n","MS1 isotopic spectrum":"1423.9613:16734388 1424.96465:23493968 1425.96801:12753178","MS/MS spectrum":"152.99609:364830 227.2019:11202 253.21629:359660 254.94261:41738 255.23132:829111 279.2348:583562 280.2395:25637 281.2496:632794 307.26447:11796 310.96979:17537 330.25784:11133 363.19366:10456 389.20801:160858 391.22745:451523 407.22192:25740 409.24109:12617 415.22595:119635 416.23621:10535 417.24097:118247 433.23364:36789 549.19873:15512 565.19659:21845 567.20734:82571 575.21027:14035 593.2193:27641 669.45105:14080 671.46411:9695 693.45483:11635 695.45905:21875 727.50067:40688 729.50629:43830 745.50433:10090 747.5191:12386 803.42133:28413 829.44116:636514 831.44537:596034 847.45197:31543 849.46863:34758 857.47302:25953 863.4895:18814 865.50903:12961 903.48608:19480 905.47211:11238 1119.74133:19074 1121.71533:12280 1141.70325:42952 1143.7356:20259 1159.72437:106765 1161.71997:33232 1167.73767:44437 1185.72339:36704 1187.74243:16436 1423.94812:1201520"},{"Metabolite":"CL 70:6|CL 16:1_18:2_18:1_18:2","Alignment ID":"5669","Average Rt(min)":"16.359","Average Mz":"1423.96277","Adduct type":"[M-H]-","Fill %":"0.634","MS/MS assigned":"TRUE","Reference RT":"13.33","Reference m/z":"1423.96484","Formula":"C79H142O17P2","Ontology":"CL","INCHIKEY":"BJHNOJXHKQLGJS-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"48.2","Reverse dot product":"63.1","Fragment presence %":"100","S/N average":"84574.7","Spectrum reference file name":"210226_Hamze_MM-1835_072n","MS1 isotopic spectrum":"1423.96252:218535808 1424.96587:500263648 1425.96923:278229504","MS/MS spectrum":"151.4776:6965 152.99417:178273 190.98215:8912 227.20206:24811 253.21646:223751 254.22316:9668 255.23149:36622 279.23499:499556 280.23465:35287 281.24982:124820 334.59857:9338 363.19391:10065 363.64023:9928 389.20828:61252 390.21603:10018 407.22223:23163 409.23248:10876 415.22626:117475 417.24124:16707 433.23395:65982 589.11462:10439 658.72125:9560 669.45154:15697 695.45953:13852 697.47247:13293 1275.62366:10138 1423.9491:26621"},{"Metabolite":"CL 70:7|CL 16:1_18:2_18:2_18:2","Alignment ID":"5664","Average Rt(min)":"15.812","Average Mz":"1421.94568","Adduct type":"[M-H]-","Fill %":"0.572","MS/MS assigned":"TRUE","Reference RT":"13.29","Reference m/z":"1421.94934","Formula":"C79H140O17P2","Ontology":"CL","INCHIKEY":"BHRHQZTYQPKZKX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"53.1","Reverse dot product":"60.8","Fragment presence %":"100","S/N average":"123362.44","Spectrum reference file name":"210226_Hamze_MM-1835_100n","MS1 isotopic spectrum":"1421.94556:403803072 1422.94891:1370583680 1423.95227:817930048","MS/MS spectrum":"133.48967:5950 146.82544:7964 146.83882:6322 152.99615:278982 253.21638:306832 254.22308:11461 279.23489:924345 280.23456:19296 318.80435:8214 333.54294:9438 389.20816:69040 407.22208:26573 415.2261:203237 416.23633:10689 433.2338:86373 669.45129:30144 695.45929:18595 805.43036:11860 831.44568:11447 1421.93164:47064"},{"Metabolite":"CL 70:8|CL 34:2_36:6","Alignment ID":"5662","Average Rt(min)":"16.252","Average Mz":"1419.93164","Adduct type":"[M-H]-","Fill %":"0.517","MS/MS assigned":"TRUE","Reference RT":"13.14","Reference m/z":"1419.93359","Formula":"C79H138O17P2","Ontology":"CL","INCHIKEY":"SIYCYTLYUVSICD-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"45.3","Reverse dot product":"66.2","Fragment presence %":"100","S/N average":"1128.34","Spectrum reference file name":"210226_Hamze_MM-1835_100n","MS1 isotopic spectrum":"1419.93152:7582690 1420.93487:16788836 1421.93823:14502116","MS/MS spectrum":"152.99615:118593 185.22961:7999 187.44168:10042 189.13103:7605 203.85754:8490 223.18915:8249 227.20198:12143 253.21638:485608 254.9427:27284 279.23489:258938 281.24973:205656 308.26746:9591 310.96991:17251 329.45392:9630 382.07742:9774 389.20816:200029 415.2261:129639 417.24112:39039 425.32712:9735 565.19684:36465 591.20789:25257 691.44:10350 699.47406:9844 801.42041:136083 819.42767:11571 827.41901:177247 829.44147:159379 855.45496:147307 901.44879:10170 1028.10071:11072 1114.88977:9901 1137.65527:16144 1139.67676:14466 1155.66467:40689 1157.69202:24511 1165.68433:12457 1183.70984:42135 1401.54321:11543 1419.91882:548351"},{"Metabolite":"CL 71:6|CL 17:1_18:2_18:1_18:2","Alignment ID":"5684","Average Rt(min)":"16.698","Average Mz":"1437.97717","Adduct type":"[M-H]-","Fill %":"0.545","MS/MS assigned":"TRUE","Reference RT":"13.36","Reference m/z":"1437.98059","Formula":"C80H144O17P2","Ontology":"CL","INCHIKEY":"JBBANDWSSNLYCN-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"46.1","Reverse dot product":"55.5","Fragment presence %":"100","S/N average":"4120.1","Spectrum reference file name":"210226_Hamze_MM-1835_130n","MS1 isotopic spectrum":"1437.97717:18629146 1438.98052:67903152 1439.98388:36972372","MS/MS spectrum":"152.99422:324089 157.31813:7189 178.24718:31421 237.14337:9359 253.21654:56094 253.47198:9448 265.21707:15610 267.23187:289316 269.25073:34639 279.23508:880877 281.24988:223323 287.54208:9310 295.26422:30215 387.92548:9574 389.20837:18262 403.22858:56158 407.22232:9988 415.22635:249468 417.24136:32601 421.24136:17748 433.23407:109215 463.94791:11959 506.16507:11387 683.46722:25828 697.47266:25282 1437.95593:20605"},{"Metabolite":"CL 71:9|CL 17:2_18:3_18:2_18:2","Alignment ID":"5678","Average Rt(min)":"15.163","Average Mz":"1431.93311","Adduct type":"[M-H]-","Fill %":"0.51","MS/MS assigned":"TRUE","Reference RT":"13.12","Reference m/z":"1431.93359","Formula":"C80H138O17P2","Ontology":"CL","INCHIKEY":"OVQTUQPIWWAAJS-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"97.1","RT similarity":"100","Dot product":"44.6","Reverse dot product":"23.6","Fragment presence %":"100","S/N average":"27.03","Spectrum reference file name":"210226_Hamze_MM-1835_074n","MS1 isotopic spectrum":"1431.93274:312636 1432.93609:675272 1433.93945:590227","MS/MS spectrum":"93.61891:4545 97.1777:5307 152.99617:80501 165.19505:7429 180.18678:10917 263.2019:68539 265.21692:31473 271.87869:9067 277.21689:31679 279.23492:199291 399.19885:14157 415.22614:37677 433.23383:13420 679.43677:9987 1168.72424:9869 1178.61035:10248 1290.52563:10132"},{"Metabolite":"CL 72:5|CL 18:1_18:1_18:1_18:2","Alignment ID":"5710","Average Rt(min)":"17.547","Average Mz":"1454.01208","Adduct type":"[M-H]-","Fill %":"0.607","MS/MS assigned":"TRUE","Reference RT":"13.5","Reference m/z":"1454.01184","Formula":"C81H148O17P2","Ontology":"CL","INCHIKEY":"HWEUSTZTLDFZJQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"52.3","Reverse dot product":"69.9","Fragment presence %":"100","S/N average":"13312.78","Spectrum reference file name":"210226_Hamze_MM-1835_051n","MS1 isotopic spectrum":"1454.01086:26296506 1455.01421:55773472 1456.01757:36606332","MS/MS spectrum":"134.98419:11262 146.56029:7379 152.99615:340224 155.00079:8558 159.16245:7258 160.21544:7278 178.24452:8581 191.19765:8030 196.31091:7772 207.10857:8330 230.40506:8878 253.21638:15464 255.23141:52071 256.23694:27236 279.23489:485296 280.23456:34620 281.24973:924541 282.25003:40385 283.26083:13399 303.22781:10213 307.26456:18886 328.60803:9190 340.80139:9051 391.22757:19603 415.2261:153364 416.22723:12085 417.24112:161422 433.2338:59085 435.25467:80989 697.47223:34516 699.49396:39344 755.52655:11747 832.4505:14313 833.45715:42399 834.46564:20641 835.47565:14138 857.47333:14745 858.47168:10773 1290.87402:10555 1454.01282:86621"},{"Metabolite":"CL 72:6|CL 18:1_18:2_18:1_18:2","Alignment ID":"5707","Average Rt(min)":"17.019","Average Mz":"1451.99084","Adduct type":"[M-H]-","Fill %":"0.566","MS/MS assigned":"TRUE","Reference RT":"13.42","Reference m/z":"1451.99634","Formula":"C81H146O17P2","Ontology":"CL","INCHIKEY":"SUUFUECQWJPUFA-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"48.5","Reverse dot product":"62.9","Fragment presence %":"100","S/N average":"135992.48","Spectrum reference file name":"210226_Hamze_MM-1835_131n","MS1 isotopic spectrum":"1451.99133:995299840 1452.99468:2592884480 1453.99804:1484318592","MS/MS spectrum":"96.96929:13212 134.98428:29148 152.99423:1398535 153.99881:32068 155.0009:16162 171.00687:29233 214.95065:15772 253.21655:129731 254.2189:40257 255.23158:191369 256.23712:71834 257.23975:11174 279.23508:3734511 280.23474:401993 281.24991:1943163 282.25024:193705 283.25589:54726 284.26697:10905 303.2337:46938 304.23398:32764 305.2507:10894 307.26477:21582 389.2084:40545 390.21616:28956 391.21954:48780 392.22678:21920 409.23264:24256 415.22638:979309 416.22751:112542 417.24139:253125 418.24063:39631 419.24344:16766 433.23407:480094 434.24277:35500 435.25497:81834 489.26288:15378 592.55341:11844 697.41339:15343 697.47272:204920 698.48248:14009 753.50208:42832 759.44427:12452 771.51849:13039 830.44324:23869 831.44623:40967 832.45105:34674 833.48352:85313 856.45038:36945 857.47394:36852 858.47229:41294 859.47241:19715 1187.74377:12933 1451.99194:213743"},{"Metabolite":"CL 72:8|CL 18:2_18:2_18:2_18:2","Alignment ID":"5698","Average Rt(min)":"15.957","Average Mz":"1447.95959","Adduct type":"[M-H]-","Fill %":"0.524","MS/MS assigned":"TRUE","Reference RT":"13.31","Reference m/z":"1447.96484","Formula":"C81H142O17P2","Ontology":"CL","INCHIKEY":"LSHJMDWWJIYXEM-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"61.6","Reverse dot product":"37.1","Fragment presence %":"100","S/N average":"384317.19","Spectrum reference file name":"210226_Hamze_MM-1835_035n","MS1 isotopic spectrum":"1447.96008:1345919360 1448.96343:1980447488 1449.96679:1569382528","MS/MS spectrum":"96.96929:47000 134.98428:36324 152.99626:1942646 171.00687:43492 209.01955:11667 214.95404:12411 253.21655:51154 254.2189:11964 277.21707:48392 279.17499:45344 279.23511:9036325 280.23474:48796 281.24484:27140 305.2507:21830 389.2084:11667 415.22641:1965374 416.22751:13614 433.2341:940771 471.25412:16310 489.26288:34230 553.27075:10261 695.45978:361425 751.48523:76455 757.4259:16640 769.49768:16522 831.44623:112458 1447.96082:53650"},{"Metabolite":"CL 73:10|CL 36:4_37:6","Alignment ID":"5713","Average Rt(min)":"16.158","Average Mz":"1457.94214","Adduct type":"[M-H]-","Fill %":"0.517","MS/MS assigned":"TRUE","Reference RT":"13.22","Reference m/z":"1457.94934","Formula":"C82H140O17P2","Ontology":"CL","INCHIKEY":"HTSOZKJAPNVOAC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCC=CCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"99.7","RT similarity":"100","Dot product":"49.1","Reverse dot product":"56.8","Fragment presence %":"100","S/N average":"873.93","Spectrum reference file name":"210226_Hamze_MM-1835_109n","MS1 isotopic spectrum":"1457.94214:5252712 1458.94549:12226007 1459.94885:7322114","MS/MS spectrum":"152.99423:233931 178.24721:67904 214.95067:11422 254.94289:49401 265.2171:28458 267.2319:422379 279.2301:1416668 281.24991:19578 310.97012:22691 401.21057:12336 403.22861:113673 415.22641:570867 489.26291:15221 561.19342:11018 573.20172:33299 579.20117:20153 591.20831:118049 625.25525:11854 705.45154:17066 739.48792:37476 751.48523:31270 757.51544:10860 839.43134:22931 841.44568:621002 853.44427:613877 855.45557:22894 859.44537:27824 871.44562:44066 875.46448:15631 887.49066:17777 927.48547:12879 1155.70764:36247 1167.69604:11897 1177.69934:59736 1189.724:20812 1195.69446:115781 1207.72607:65873 1457.95068:988510"},{"Metabolite":"CL 73:5|CL 17:0_18:1_18:1_20:3","Alignment ID":"5740","Average Rt(min)":"17.844","Average Mz":"1468.02698","Adduct type":"[M-H]-","Fill %":"0.524","MS/MS assigned":"TRUE","Reference RT":"13.59","Reference m/z":"1468.02759","Formula":"C82H150O17P2","Ontology":"CL","INCHIKEY":"FEGKQNLYJLSJRP-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCC=CCC=CCC=CCC)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"63.5","Reverse dot product":"81.5","Fragment presence %":"100","S/N average":"95.24","Spectrum reference file name":"210226_Hamze_MM-1835_103n","MS1 isotopic spectrum":"1468.02808:1059645 1469.03143:2088534 1470.03479:1583463","MS/MS spectrum":"91.27055:4574 140.22754:6837 152.99622:17541 157.83418:8241 180.43381:8300 184.59523:6924 199.7245:8952 269.25067:31196 269.76846:9811 279.23001:27272 281.24982:37616 299.80457:9331 307.26468:14837 405.24426:37830 415.22626:48290 417.24127:27328 423.25351:10876 433.23395:11134 492.27444:9415 687.49438:19931 697.47253:41125 713.50635:48026 723.49377:30928 769.72668:10345 907.34796:12137 1468.04395:143782"},{"Metabolite":"CL 73:7|CL 17:1_18:1_18:2_20:3","Alignment ID":"5727","Average Rt(min)":"16.847","Average Mz":"1463.99524","Adduct type":"[M-H]-","Fill %":"0.517","MS/MS assigned":"TRUE","Reference RT":"13.42","Reference m/z":"1463.99634","Formula":"C82H146O17P2","Ontology":"CL","INCHIKEY":"VDQBSCWOTMXCHV-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCC=CCC=CCC=CCC)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"42.3","Reverse dot product":"32.1","Fragment presence %":"100","S/N average":"2943.3","Spectrum reference file name":"210226_Hamze_MM-1835_086n","MS1 isotopic spectrum":"1463.99683:14917616 1465.00018:49015344 1466.00354:28412764","MS/MS spectrum":"117.90178:8059 134.98592:8574 147.23129:7990 152.9962:329563 155.45143:7863 224.36089:9971 253.21645:28448 255.23148:16550 267.23178:153980 269.25064:9525 277.21695:11683 279.23499:933319 281.24979:150492 293.24811:23190 295.2641:154265 305.25058:122133 311.44153:11019 389.20825:10559 403.22842:33123 415.22623:246863 417.24121:19775 421.24121:26741 433.23392:117190 441.24374:17571 459.25204:11781 489.2627:10788 695.45947:26703 711.50507:13277 721.492:11015 870.92065:10544 1463.94568:25564"},{"Metabolite":"CL 73:8|CL 16:1_20:3_17:1_20:3","Alignment ID":"5719","Average Rt(min)":"16.345","Average Mz":"1461.97681","Adduct type":"[M-H]-","Fill %":"0.655","MS/MS assigned":"TRUE","Reference RT":"13.35","Reference m/z":"1461.98059","Formula":"C82H144O17P2","Ontology":"CL","INCHIKEY":"IHOVAJIBQOVSKD-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCCCCCCC)COC(=O)CCCCCCCCCC=CCC=CCC=CCC)CCCCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"24","Reverse dot product":"71.3","Fragment presence %":"100","S/N average":"1811.39","Spectrum reference file name":"210226_Hamze_MM-1835_098n","MS1 isotopic spectrum":"1461.97681:9722672 1462.98016:18431828 1463.98352:12728912","MS/MS spectrum":"134.98587:10999 152.99615:389128 169.01466:10580 171.00676:11858 178.27007:92581 209.79701:8547 227.46327:9260 229.63345:7917 253.21638:83174 267.23169:233122 277.21689:10043 279.23489:1262779 281.24973:55135 293.24802:96292 305.25049:208091 372.2247:10263 389.20816:22348 403.22833:43695 415.2261:279552 421.24109:20596 429.23401:10472 433.2338:138232 441.24362:28473 459.25192:17341 540.56848:10980 594.54034:10589 683.4668:12816 695.479:19601 709.47156:10795 721.49176:15872 843.38776:18132 845.41632:9702 871.44501:18238 890.93488:12237 997.95209:10823 1461.96265:47033"},{"Metabolite":"CL 73:9|CL 31:1_42:8","Alignment ID":"5716","Average Rt(min)":"16.703","Average Mz":"1459.96118","Adduct type":"[M-H]-","Fill %":"0.621","MS/MS assigned":"TRUE","Reference RT":"13.31","Reference m/z":"1459.96484","Formula":"C82H142O17P2","Ontology":"CL","INCHIKEY":"QWZKBROSOABVFK-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)CCCCCCCC=CCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"94.9","RT similarity":"99.9","Dot product":"37.8","Reverse dot product":"52.7","Fragment presence %":"100","S/N average":"1257.25","Spectrum reference file name":"210226_Hamze_MM-1835_100n","MS1 isotopic spectrum":"1459.96094:4270085 1460.96429:12545866 1461.96765:7414249","MS/MS spectrum":"152.99615:95033 253.21638:13656 254.9427:17410 262.47443:9005 267.23172:153594 269.25058:10373 279.23489:416988 281.24973:130558 295.26404:15465 333.03339:10096 338.01529:9499 389.20816:13583 403.22833:40839 405.23535:13486 415.2261:200565 417.24112:16807 591.20789:34952 696.68182:10436 739.48743:16414 771.51794:9796 827.41901:32853 841.44507:185818 843.46667:53927 853.44366:70163 855.45496:185990 869.48718:12575 889.50897:11463 1147.81677:10807 1155.70679:10430 1157.73438:11681 1177.69849:14078 1179.69714:15030 1195.73804:21770 1197.7384:29266 1209.71057:13479 1459.98401:380042"},{"Metabolite":"CL 74:10|CL 32:2_42:8","Alignment ID":"5748","Average Rt(min)":"16.512","Average Mz":"1471.96106","Adduct type":"[M-H]-","Fill %":"0.572","MS/MS assigned":"TRUE","Reference RT":"13.3","Reference m/z":"1471.96484","Formula":"C83H142O17P2","Ontology":"CL","INCHIKEY":"LPXUCLWTAUVNOJ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"96.6","RT similarity":"99.9","Dot product":"50.8","Reverse dot product":"54.3","Fragment presence %":"100","S/N average":"12590.34","Spectrum reference file name":"210226_Hamze_MM-1835_051n","MS1 isotopic spectrum":"1471.96106:47422544 1472.96441:136550336 1473.96777:79970264","MS/MS spectrum":"149.04514:8574 152.99615:192127 209.02264:9031 253.21638:17248 254.9427:32692 279.22989:1082144 280.23456:17840 281.24973:257274 307.26456:10226 310.96991:22276 415.2261:504426 417.24112:42958 437.42722:9733 489.26257:16218 573.20129:33009 591.20795:85331 748.2218:9836 751.48474:27191 753.50159:27139 771.51794:10917 827.41901:14039 853.44366:477102 854.435:13404 855.45496:474896 871.44501:27118 873.46484:25251 881.4743:18118 887.49005:11208 927.48486:14598 1167.73816:21538 1169.75439:33071 1189.67908:12635 1191.70837:58948 1207.72534:52005 1209.71057:109317 1471.97681:755048"},{"Metabolite":"CL 74:12|CL 18:2_18:3_18:3_20:4","Alignment ID":"5739","Average Rt(min)":"15.491","Average Mz":"1467.92993","Adduct type":"[M-H]-","Fill %":"0.593","MS/MS assigned":"TRUE","Reference RT":"13.02","Reference m/z":"1467.93359","Formula":"C83H138O17P2","Ontology":"CL","INCHIKEY":"SZAHISBXNVMVEZ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCC=CCC)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"46.2","Reverse dot product":"68","Fragment presence %":"100","S/N average":"2677.56","Spectrum reference file name":"210226_Hamze_MM-1835_106n","MS1 isotopic spectrum":"1467.92834:3989656 1468.93169:8672291 1469.93505:12894629","MS/MS spectrum":"134.98428:11416 152.99422:178712 178.26764:37035 214.95065:10984 253.21655:56476 254.94287:47050 277.21704:314188 279.23007:1049075 280.23474:8782 303.23367:38250 305.2507:26522 310.9642:14825 389.2084:11765 413.20789:101135 415.22638:390159 460.60779:9225 489.26288:14547 573.20166:28753 589.20691:13612 591.20831:67380 717.45178:10980 724.43512:10887 749.47644:16383 751.48517:21779 827.41949:28933 851.41339:420690 853.44421:398583 869.43268:24249 871.44556:26543 877.44244:28064 885.47852:12703 887.4906:16056 925.45679:14668 1165.00159:10754 1165.68506:26358 1167.69604:11717 1187.69971:45702 1189.67981:15883 1205.70068:88093 1207.72607:30772 1467.92358:640964"},{"Metabolite":"CL 74:6|CL 16:0_20:3_18:0_20:3","Alignment ID":"5765","Average Rt(min)":"17.662","Average Mz":"1480.02722","Adduct type":"[M-H]-","Fill %":"0.634","MS/MS assigned":"TRUE","Reference RT":"13.56","Reference m/z":"1480.02759","Formula":"C83H150O17P2","Ontology":"CL","INCHIKEY":"BVXAHHCXAUNOFG-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC=CCC=CCC=CCC)CCCCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"8.8","Reverse dot product":"57.3","Fragment presence %":"100","S/N average":"4407.34","Spectrum reference file name":"210226_Hamze_MM-1835_066n","MS1 isotopic spectrum":"1480.026:14219217 1481.02935:40281744 1482.03271:19514392","MS/MS spectrum":"96.96926:13020 134.98424:31475 152.9962:1689146 171.00441:32587 209.02271:13180 255.23149:53363 279.23499:3826506 281.24982:2556191 282.25012:20070 283.26093:42496 284.26685:14612 305.25058:133046 307.26465:500550 309.28122:1129558 391.22769:12463 415.22623:1050760 417.24124:483405 419.2525:13907 433.23392:516917 435.25482:201440 441.24377:35692 443.26089:48055 445.27173:147131 459.25204:15546 461.26642:25759 463.28333:58939 489.2627:20462 695.47925:13233 697.49225:124019 699.49414:40341 723.49371:38905 725.50378:139630 727.54327:21538 753.50183:30586 781.53149:25364 833.48322:30028 835.50183:12737 854.00641:10794 859.49915:21620 861.5047:35415 1480.01404:49991"},{"Metabolite":"CL 74:8|CL 16:1_20:3_18:1_20:3","Alignment ID":"5759","Average Rt(min)":"16.661","Average Mz":"1475.99463","Adduct type":"[M-H]-","Fill %":"0.607","MS/MS assigned":"TRUE","Reference RT":"13.41","Reference m/z":"1475.99634","Formula":"C83H146O17P2","Ontology":"CL","INCHIKEY":"FHRIOVHUOJGEKM-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCC=CCC=CCC=CCC)CCCCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"14.7","Reverse dot product":"66.4","Fragment presence %":"100","S/N average":"57862.11","Spectrum reference file name":"210226_Hamze_MM-1835_132n","MS1 isotopic spectrum":"1475.99487:297838784 1476.99822:671304320 1478.00158:450775680","MS/MS spectrum":"134.9843:58719 152.99626:3180575 171.00688:62552 178.26765:54639 209.0228:16012 214.95067:18075 253.21657:35419 254.21892:14139 255.2316:13637 277.21707:21344 279.23511:12086355 280.23477:252208 281.24994:614957 282.25024:73695 283.25592:16757 284.42657:15118 303.22803:11983 305.25073:528849 306.25528:28751 307.2648:2206743 389.20844:12384 415.22641:2773112 416.22754:71149 417.24142:82782 418.24066:20844 433.2341:1338603 434.23306:14098 435.255:26094 441.24396:53248 443.26111:186219 459.25226:21526 461.2666:61332 489.26291:50713 592.22833:14266 695.45984:252353 697.49255:50274 721.4715:50254 723.49402:222475 751.48529:48542 753.50214:13470 777.51257:16056 779.51831:52503 831.47205:71694 833.48358:25557 854.43567:26023 855.45557:68507 856.45044:78557 857.47394:83775 858.47235:50969 859.47247:79497 1211.74695:14925 1213.74207:12201 1475.98804:232100"},{"Metabolite":"CL 74:9|CL 18:1_18:2_18:2_20:4","Alignment ID":"5754","Average Rt(min)":"17.026","Average Mz":"1473.97266","Adduct type":"[M-H]-","Fill %":"0.614","MS/MS assigned":"TRUE","Reference RT":"13.35","Reference m/z":"1473.98059","Formula":"C83H144O17P2","Ontology":"CL","INCHIKEY":"MPYOKYQIJIPEFC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"48.4","Reverse dot product":"70.7","Fragment presence %":"100","S/N average":"18307.9","Spectrum reference file name":"210226_Hamze_MM-1835_072n","MS1 isotopic spectrum":"1473.97205:64025336 1474.9754:221872720 1475.97876:134579728","MS/MS spectrum":"134.98592:59602 152.9962:1166278 178.24458:55648 209.02272:25372 214.95059:56573 253.21646:65209 254.94278:259337 255.23149:22832 279.23499:5675802 281.24982:4166460 288.98709:25723 307.26465:36721 309.27536:15412 310.97:125343 328.9794:23527 389.20828:29227 415.22626:2916554 417.24124:850471 433.23395:35258 439.22061:19746 489.26273:86761 491.27911:15830 507.27942:16406 551.22223:43793 573.20148:139970 575.21069:120939 591.20813:527160 593.21967:198828 609.21991:27314 697.49225:33097 719.45715:108867 753.50183:378046 759.44403:29383 771.51819:109106 829.44177:36320 833.48322:36550 853.44397:166273 855.4552:6692928 857.47363:198619 873.46509:350111 881.47455:46356 889.50922:232138 927.48517:20189 929.48999:141880 945.48438:20618 947.5166:27878 1169.75476:257905 1171.77637:53662 1191.70874:274049 1193.74316:229757 1209.71094:764908 1211.74634:309977 1473.98035:5349960"},{"Metabolite":"CL 74:9|CL 18:2_18:2_18:2_20:3","Alignment ID":"5755","Average Rt(min)":"16.183","Average Mz":"1473.97974","Adduct type":"[M-H]-","Fill %":"0.655","MS/MS assigned":"TRUE","Reference RT":"13.35","Reference m/z":"1473.98059","Formula":"C83H144O17P2","Ontology":"CL","INCHIKEY":"YWYQKEGRCZMXGW-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCC=CCC=CCC=CCC)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"45.7","Reverse dot product":"54.4","Fragment presence %":"100","S/N average":"149299.41","Spectrum reference file name":"210226_Hamze_MM-1835_125n","MS1 isotopic spectrum":"1473.97864:611739072 1474.98199:2294153728 1475.98535:1378758272","MS/MS spectrum":"134.98416:26246 152.99612:1602449 171.00671:32288 209.0226:17129 214.95047:19421 253.21632:87277 254.21867:43888 254.94264:15926 277.21683:42519 279.23483:5914489 280.2345:312603 281.23953:109026 282.24997:41602 303.23343:25083 305.25043:1191853 307.2645:24873 327.2308:19720 328.2373:17452 389.20807:17508 407.22198:13060 415.22601:1194528 416.22714:83608 417.23187:37988 418.23105:19734 433.2337:572692 441.24353:113606 459.2518:26663 489.26245:22717 591.22321:12043 593.21936:11745 695.45917:95608 721.49164:102879 751.48456:25703 777.51178:21843 831.47125:43790 853.44348:17089 854.43481:68576 855.45477:93125 856.44958:81321 857.47314:57053 1210.75:14237 1473.97949:243290"},{"Metabolite":"CL 75:10|CL 35:5_40:5","Alignment ID":"5775","Average Rt(min)":"16.846","Average Mz":"1485.97327","Adduct type":"[M-H]-","Fill %":"0.566","MS/MS assigned":"TRUE","Reference RT":"13.35","Reference m/z":"1485.98059","Formula":"C84H144O17P2","Ontology":"CL","INCHIKEY":"LAWLYNWYUMXWGY-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCC=CCC=CCC=CCCCCC)CCCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"95.5","RT similarity":"99.9","Dot product":"52.6","Reverse dot product":"51.5","Fragment presence %":"100","S/N average":"741.16","Spectrum reference file name":"210226_Hamze_MM-1835_089n","MS1 isotopic spectrum":"1485.97522:1807379 1486.97857:4668217 1487.98193:2908649","MS/MS spectrum":"126.66403:6977 134.98422:7958 151.19772:7411 152.99619:52047 154.22882:6947 168.93216:6799 172.60744:7556 181.08612:7994 267.23178:14922 279.23495:302838 279.89243:9597 295.2641:69072 415.2262:137202 489.26266:9576 561.87897:9966 573.20142:11671 591.20807:22242 679.41791:8915 841.44525:11625 853.44385:116858 867.45392:10400 869.48743:121567 1069.29407:9347 1180.74219:9509 1223.74597:20843 1485.96167:215785"},{"Metabolite":"CL 75:6|CL 38:1_37:5","Alignment ID":"5801","Average Rt(min)":"17.999","Average Mz":"1494.04028","Adduct type":"[M-H]-","Fill %":"0.607","MS/MS assigned":"TRUE","Reference RT":"13.6","Reference m/z":"1494.04321","Formula":"C84H152O17P2","Ontology":"CL","INCHIKEY":"JJMUWPBMGFMCPD-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCC=CCCCCC)CCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"80.3","RT similarity":"99.9","Dot product":"21.1","Reverse dot product":"10.3","Fragment presence %":"100","S/N average":"24.67","Spectrum reference file name":"210226_Hamze_MM-1835_097n","MS1 isotopic spectrum":"1494.03931:347632 1495.04266:1040228 1496.04602:685382","MS/MS spectrum":"105.12283:5019 105.57794:5348 136.07005:7835 152.99617:25123 165.07657:8184 177.77533:8508 178.27264:27628 279.23492:67794 281.24973:12662 295.26404:13276 415.22614:19026 707.4469:10557 727.35352:10013 857.71606:10001 944.42371:9825 1171.04419:11408 1233.68811:10017 1425.97009:14065"},{"Metabolite":"CL 75:8|CL 17:0_20:3_18:2_20:3","Alignment ID":"5788","Average Rt(min)":"17.019","Average Mz":"1490.00574","Adduct type":"[M-H]-","Fill %":"0.51","MS/MS assigned":"TRUE","Reference RT":"13.43","Reference m/z":"1490.01184","Formula":"C84H148O17P2","Ontology":"CL","INCHIKEY":"XGFXSHNIMCYBCZ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC=CCC=CCC=CCC)CCCCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"92.6","RT similarity":"99.9","Dot product":"35.5","Reverse dot product":"23.5","Fragment presence %":"100","S/N average":"108.59","Spectrum reference file name":"210226_Hamze_MM-1835_087n","MS1 isotopic spectrum":"1490.00537:1338323 1491.00872:1948623 1492.01208:2549358","MS/MS spectrum":"119.14587:5729 120.41261:5740 152.99619:226387 159.42799:8743 178.24455:19516 226.53062:8772 239.97981:8505 252.13832:8837 270.91861:15933 279.23495:659132 281.24979:124267 295.2641:134790 305.25055:159860 415.2262:197189 417.24121:22432 431.25589:18232 433.23389:51931 441.24374:23410 711.50507:13505 843.88782:9288 871.44519:56045 1225.72473:12802 1489.96741:68222"},{"Metabolite":"CL 75:9|CL 33:1_42:8","Alignment ID":"5781","Average Rt(min)":"17.341","Average Mz":"1487.99072","Adduct type":"[M-H]-","Fill %":"0.634","MS/MS assigned":"TRUE","Reference RT":"13.39","Reference m/z":"1487.99634","Formula":"C84H146O17P2","Ontology":"CL","INCHIKEY":"HXBWOULPJUJCRB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"93.7","RT similarity":"99.9","Dot product":"35.4","Reverse dot product":"48.8","Fragment presence %":"100","S/N average":"439.65","Spectrum reference file name":"210226_Hamze_MM-1835_075n","MS1 isotopic spectrum":"1487.99146:4967749 1488.99481:17756058 1489.99817:9755304","MS/MS spectrum":"152.99615:228985 254.94269:47431 267.23169:24613 269.25055:17194 279.22989:1028558 281.24969:363144 295.26401:400154 307.26456:27750 310.96988:15473 415.2261:538317 417.24109:71363 431.25577:60971 489.26254:16839 551.20813:14286 573.20129:29774 575.21045:10941 589.23724:14222 591.20789:103511 593.21948:21602 607.25494:19054 669.02374:10183 753.50153:34501 767.52985:24314 771.51788:18644 785.53448:13254 843.44031:12159 853.44366:14358 855.4549:600943 869.45966:580678 871.47253:23343 873.46478:38808 881.47424:16951 887.48999:28620 889.50891:21306 903.5155:33619 929.45923:17090 1169.75439:12837 1183.75342:15985 1191.70825:13700 1205.74487:19795 1207.77026:50673 1209.71045:74974 1223.74561:66441 1225.77051:57407 1487.99292:1096044"},{"Metabolite":"CL 76:12|CL 18:2_18:2_18:2_22:6","Alignment ID":"5804","Average Rt(min)":"16.179","Average Mz":"1495.95776","Adduct type":"[M-H]-","Fill %":"0.703","MS/MS assigned":"TRUE","Reference RT":"13.2","Reference m/z":"1495.96484","Formula":"C85H142O17P2","Ontology":"CL","INCHIKEY":"FFDVKPKATWSSCR-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"48.5","Reverse dot product":"69.2","Fragment presence %":"100","S/N average":"12805.97","Spectrum reference file name":"210226_Hamze_MM-1835_063n","MS1 isotopic spectrum":"1495.95898:43346828 1496.96233:133259696 1497.96569:121641368","MS/MS spectrum":"96.96925:11079 134.98421:14630 152.99619:548924 178.2471:21446 214.95055:11407 253.21643:29492 254.94275:41507 255.23145:13063 277.21692:19301 279.23495:2207400 280.23459:21684 281.24976:22456 283.24039:39693 303.22787:12790 305.25055:228693 305.49118:11836 310.96994:10297 327.23093:109533 415.22617:583187 433.23386:149195 441.24371:44464 463.22974:19823 481.22919:9778 489.26263:15676 512.72034:9081 573.20142:18574 591.20801:70098 617.2251:21360 695.45941:27795 743.45459:19348 751.48486:32391 777.51208:21991 830.44281:12924 853.44379:337955 871.44513:12711 877.44202:10640 879.45477:399423 897.45203:25457 913.51215:11204 1167.69543:17460 1193.74304:15115 1207.72546:36163 1215.69604:51921 1233.73474:75482 1495.97522:537551"},{"Metabolite":"CL 76:6|CL 18:0_18:0_18:0_22:6","Alignment ID":"5836","Average Rt(min)":"10.207","Average Mz":"1508.04333","Adduct type":"[M-H]-","Fill %":"0.524","MS/MS assigned":"TRUE","Reference RT":"13.75","Reference m/z":"1508.05896","Formula":"C85H154O17P2","Ontology":"CL","INCHIKEY":"OLNAPSYMZKIVGB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"87.4","RT similarity":"99.9","Dot product":"43.7","Reverse dot product":"32","Fragment presence %":"100","S/N average":"42","Spectrum reference file name":"210226_Hamze_MM-1835_023n","MS1 isotopic spectrum":"1508.04382:411341 1509.04717:1048178 1510.05053:1231640","MS/MS spectrum":"105.68406:5512 113.20576:5836 151.84058:6321 152.99623:76570 178.27527:8380 206.53383:7980 279.23502:9495 283.26608:193847 284.26688:51394 327.23102:29912 409.44595:11875 419.25256:85532 420.25903:22837 428.76672:9701 437.27029:28937 438.27341:19889 463.22986:9084 680.1983:10453 747.49774:21535 748.4859:11678 773.47778:10868 835.52789:14282"},{"Metabolite":"CL 76:6|CL 18:0_18:1_18:2_22:3","Alignment ID":"5837","Average Rt(min)":"18.396","Average Mz":"1508.05713","Adduct type":"[M-H]-","Fill %":"0.559","MS/MS assigned":"TRUE","Reference RT":"13.61","Reference m/z":"1508.05896","Formula":"C85H154O17P2","Ontology":"CL","INCHIKEY":"VNFSMZNNDNVBPL-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCC=CCC=CCC=CCCCCC)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"92.6","RT similarity":"99.9","Dot product":"28.2","Reverse dot product":"25.1","Fragment presence %":"100","S/N average":"127.3","Spectrum reference file name":"210226_Hamze_MM-1835_087n","MS1 isotopic spectrum":"1508.05737:662904 1509.06072:1462042 1510.06408:1163806","MS/MS spectrum":"115.87204:5504 152.99416:23050 272.43311:9135 279.23495:37041 281.24979:9578 283.26089:12265 305.24484:13239 339.3269:25671 415.2262:9855 749.49817:9696 831.44586:10146 1425.97034:31330"},{"Metabolite":"CL 76:7|CL 18:0_20:3_18:1_20:3","Alignment ID":"5833","Average Rt(min)":"17.816","Average Mz":"1506.03845","Adduct type":"[M-H]-","Fill %":"0.648","MS/MS assigned":"TRUE","Reference RT":"13.57","Reference m/z":"1506.04321","Formula":"C85H152O17P2","Ontology":"CL","INCHIKEY":"GGJADEZJAADCFU-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC=CCC=CCC=CCC)CCCCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"17","Reverse dot product":"62.4","Fragment presence %":"100","S/N average":"394.28","Spectrum reference file name":"210226_Hamze_MM-1835_127n","MS1 isotopic spectrum":"1506.04224:2336523 1507.04559:4728467 1508.04895:3089127","MS/MS spectrum":"152.99619:179769 178.26756:95653 189.40225:8032 246.7206:8478 279.23495:437330 280.23462:18068 281.24979:83876 283.26602:13743 305.25058:20186 307.26465:143602 309.28119:117731 335.2962:10737 415.2262:116770 417.24121:15117 433.23389:57683 435.24503:10910 443.26086:9544 445.2717:13975 631.59778:10300 718.62903:10475 723.49365:14669 725.52472:11688 1423.94897:20197 1454.19177:10380 1506.02783:16375"},{"Metabolite":"CL 76:9|CL 18:1_20:3_18:2_20:3","Alignment ID":"5822","Average Rt(min)":"16.84","Average Mz":"1502.00964","Adduct type":"[M-H]-","Fill %":"0.614","MS/MS assigned":"TRUE","Reference RT":"13.42","Reference m/z":"1502.01184","Formula":"C85H148O17P2","Ontology":"CL","INCHIKEY":"VPUNUTHAGRCALC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCC=CCC=CCC=CCC)CCCCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"48.9","Reverse dot product":"69.3","Fragment presence %":"100","S/N average":"2659.77","Spectrum reference file name":"210226_Hamze_MM-1835_107n","MS1 isotopic spectrum":"1502.00928:10061504 1503.01263:31580908 1504.01599:15205678","MS/MS spectrum":"152.99423:541784 153.99883:13893 279.23511:1389116 280.23474:169020 281.24484:220996 282.25024:119164 283.25079:28752 284.24637:10192 305.2507:366964 306.24951:26083 307.26477:314410 310.97012:10702 327.23746:21334 327.44095:9284 328.23761:19327 329.24237:9467 405.13928:9821 415.22641:362245 416.22751:61406 417.24139:62017 418.24063:25524 433.2341:180282 435.25497:14043 441.24393:38973 443.25107:28985 459.25223:13203 721.49231:39396 723.49402:38113 856.45038:18339 857.44696:37691 858.47229:21891 859.47241:12649 881.47491:24173 882.45917:23324 883.47333:15612 884.4892:11943 1072.56824:10469 1502.02039:149181"},{"Metabolite":"CL 76:9|CL 36:3_40:6","Alignment ID":"5823","Average Rt(min)":"17.665","Average Mz":"1502.00989","Adduct type":"[M-H]-","Fill %":"0.545","MS/MS assigned":"TRUE","Reference RT":"13.42","Reference m/z":"1502.01184","Formula":"C85H148O17P2","Ontology":"CL","INCHIKEY":"LTNIFZAYXHSREN-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCCCC=CCC=CCC=CCC)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"47.1","Reverse dot product":"67.2","Fragment presence %":"100","S/N average":"948.3","Spectrum reference file name":"210226_Hamze_MM-1835_080n","MS1 isotopic spectrum":"1502.01013:8869151 1503.01348:31070794 1504.01684:16423483","MS/MS spectrum":"134.98586:11821 152.99612:379765 214.95386:17320 254.94266:85624 255.23137:16595 279.23486:1606493 281.24966:826767 288.98694:10204 305.25046:15849 307.26453:147036 309.28107:530765 310.96985:32933 401.27063:9906 415.22604:747074 417.24103:198944 433.2337:11762 443.26068:31785 445.27151:89518 489.26248:14663 491.27887:11134 573.20123:31081 575.22522:14819 591.20782:144681 593.21942:41820 603.258:16653 621.2619:24268 719.45685:13523 747.49731:20174 753.50146:47284 771.51782:12893 781.53113:62388 788.14111:10083 799.54785:16114 853.44354:57261 855.45477:877432 857.47321:163119 873.46466:50605 881.47412:139750 883.47253:856763 885.5061:45716 889.50879:32805 891.53467:12581 901.50677:44427 917.52716:30315 928.15228:12435 929.48956:19982 957.52167:16055 1169.75427:26356 1191.70813:31087 1193.74255:12235 1197.78259:31557 1199.78809:12888 1209.71033:92779 1211.74585:32667 1219.75635:50353 1221.77136:74473 1237.74548:130242 1239.75842:84357 1475.68237:10999 1502.01904:1876165"},{"Metabolite":"CL 78:12|CL 18:1_20:3_18:2_22:6","Alignment ID":"5882","Average Rt(min)":"16.831","Average Mz":"1523.99219","Adduct type":"[M-H]-","Fill %":"0.552","MS/MS assigned":"TRUE","Reference RT":"13.37","Reference m/z":"1523.99634","Formula":"C87H146O17P2","Ontology":"CL","INCHIKEY":"QYTVUQUDHBBPKK-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCC=CCC=CCC=CCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"38.1","Reverse dot product":"66","Fragment presence %":"100","S/N average":"542.66","Spectrum reference file name":"210226_Hamze_MM-1835_082n","MS1 isotopic spectrum":"1523.98975:5309670 1524.9931:15257246 1525.99646:13716244","MS/MS spectrum":"134.9859:9594 152.99619:275909 254.94275:54754 255.23582:8803 279.23495:1302377 280.23962:16563 281.24976:62058 282.25009:13291 305.25055:508375 307.26462:433480 310.96994:15806 327.23093:16331 415.22617:518427 417.24118:13607 441.24371:107411 443.26083:92473 463.22974:13374 489.26263:17879 572.42126:10607 573.20142:25195 591.20801:92378 599.22186:18018 601.22699:13326 617.2251:30291 619.23865:18066 728.19678:9186 743.45459:15351 777.51208:26388 779.51788:31787 853.44379:99275 855.45508:17272 856.44995:13421 857.47345:10590 879.45477:559821 881.47443:583689 897.45203:30329 899.47607:32696 905.4726:16134 907.49451:95582 913.48254:11441 915.50165:20043 1091.83179:11389 1193.74304:17285 1195.73828:23846 1215.74146:23130 1217.7467:17997 1221.77173:16681 1233.73474:67629 1235.73792:79764 1243.7522:44300 1261.74731:62639 1524.00867:962034"},{"Metabolite":"CL 78:13|CL 38:5_40:8","Alignment ID":"5877","Average Rt(min)":"16.371","Average Mz":"1521.97412","Adduct type":"[M-H]-","Fill %":"0.6","MS/MS assigned":"TRUE","Reference RT":"13.23","Reference m/z":"1521.98059","Formula":"C87H144O17P2","Ontology":"CL","INCHIKEY":"VXILSRWLPLKZOK-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCC=CCC=CCC=CCC)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"48.3","Reverse dot product":"67.9","Fragment presence %":"100","S/N average":"1110.07","Spectrum reference file name":"210226_Hamze_MM-1835_105n","MS1 isotopic spectrum":"1521.974:7794559 1522.97735:19453424 1523.98071:20179114","MS/MS spectrum":"152.99625:299289 214.95064:14292 253.21652:23651 254.94284:67978 279.23505:1330674 281.24988:38142 303.228:10764 305.25067:992947 310.97006:33265 329.25516:12200 415.22635:533013 433.23404:15445 436.99557:18555 441.2439:229330 489.26285:11134 573.20166:36346 591.20825:114582 599.22211:29638 617.22534:65424 743.4549:15798 777.51245:60912 795.51001:18043 853.44415:162436 855.45544:23007 879.45514:1103798 897.45239:52076 903.45776:35905 905.47296:152074 913.48291:38217 953.49487:13491 1193.74353:26764 1215.74194:43675 1219.75732:21471 1233.73523:97501 1241.7301:58878 1259.72913:65594 1521.96716:1022455"},{"Metabolite":"CL 78:15|CL 18:2_18:2_20:5_22:6","Alignment ID":"5866","Average Rt(min)":"15.71","Average Mz":"1517.9408","Adduct type":"[M-H]-","Fill %":"0.545","MS/MS assigned":"TRUE","Reference RT":"13.05","Reference m/z":"1517.94934","Formula":"C87H140O17P2","Ontology":"CL","INCHIKEY":"DUJZOHZYXJCGEL-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"52","Reverse dot product":"68.3","Fragment presence %":"100","S/N average":"7698.66","Spectrum reference file name":"210226_Hamze_MM-1835_106n","MS1 isotopic spectrum":"1517.94092:12528192 1518.94427:35070840 1519.94763:17141582","MS/MS spectrum":"108.07684:6434 130.41577:7188 152.99422:62118 185.81577:8024 253.22087:12267 279.23007:325382 283.24054:26307 327.23108:62108 327.70828:9042 415.22638:121377 463.22995:35625 591.20831:24555 639.21619:12372 765.45697:10724 853.44421:125665 901.44934:101799 1255.70642:19209 1419.91968:23216 1517.95898:156151"},{"Metabolite":"CL 78:16|CL 18:2_18:3_20:5_22:6","Alignment ID":"5858","Average Rt(min)":"15.232","Average Mz":"1515.93176","Adduct type":"[M-H]-","Fill %":"0.572","MS/MS assigned":"TRUE","Reference RT":"12.89","Reference m/z":"1515.93359","Formula":"C87H138O17P2","Ontology":"CL","INCHIKEY":"SKABABSXIRKTGH-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCC=CCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"45.9","Reverse dot product":"67.5","Fragment presence %":"100","S/N average":"158.97","Spectrum reference file name":"210226_Hamze_MM-1835_143n","MS1 isotopic spectrum":"1515.93176:7536514 1516.93511:15974348 1517.93847:14387501","MS/MS spectrum":"152.99608:172703 214.95041:10249 254.94258:24320 277.21674:361331 279.23477:718751 283.24533:48080 310.96976:14520 327.23071:140474 413.20743:117851 415.22592:220253 463.22943:47170 573.18628:17321 589.19092:29448 591.20764:53982 765.43341:10744 851.41241:213158 853.4433:126237 869.43176:17307 899.4176:112618 901.44836:180723 955.07648:10981 1187.69836:15632 1205.69934:31581 1213.69519:12220 1235.69043:24335 1253.70081:41346 1255.70496:27305 1515.92737:319212"},{"Metabolite":"CL 79:10|CL 36:2_43:8","Alignment ID":"5932","Average Rt(min)":"10.639","Average Mz":"1542.05286","Adduct type":"[M-H]-","Fill %":"0.8","MS/MS assigned":"TRUE","Reference RT":"13.5","Reference m/z":"1542.04321","Formula":"C88H152O17P2","Ontology":"CL","INCHIKEY":"GPEZKJICAGVUGM-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)CCCCCCCC=CCC=CCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"82","RT similarity":"100","Dot product":"39.9","Reverse dot product":"12.3","Fragment presence %":"100","S/N average":"562.7","Spectrum reference file name":"210226_Hamze_MM-1835_074n","MS1 isotopic spectrum":"1542.0498:3250316 1543.05315:8759848 1544.05651:3620028","MS/MS spectrum":"121.39318:7303 128.89873:6453 131.65578:6906 131.77588:6309 150.30936:7013 152.99617:92126 155.67848:7526 169.31943:7369 178.24197:23303 196.60658:8229 230.1237:9063 253.2164:35902 254.21875:11183 255.37596:9260 279.23492:120036 283.26596:321727 303.23352:41156 327.2309:13302 415.22614:35492 419.26163:158027 421.60339:9640 437.27014:83581 699.49396:96367 837.91833:9483 938.80878:10087 1304.42517:9893"},{"Metabolite":"CL 80:12|CL 18:0_18:1_22:5_22:6","Alignment ID":"5972","Average Rt(min)":"11.157","Average Mz":"1552.03906","Adduct type":"[M-H]-","Fill %":"0.683","MS/MS assigned":"TRUE","Reference RT":"13.41","Reference m/z":"1552.02759","Formula":"C89H150O17P2","Ontology":"CL","INCHIKEY":"WTXRFSMHWRDYES-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"89.5","RT similarity":"100","Dot product":"35.1","Reverse dot product":"16.7","Fragment presence %":"100","S/N average":"3904.27","Spectrum reference file name":"210226_Hamze_MM-1835_088n","MS1 isotopic spectrum":"1552.03748:11573859 1553.04083:47909220 1554.04419:25853744","MS/MS spectrum":"117.07047:13246 121.1022:13580 122.00005:16070 133.10139:14666 135.11734:18162 137.13287:9758 140.01204:180930 147.11818:12901 149.13312:24466 152.99619:24939 163.1489:18388 177.16359:65665 178.27011:30006 189.16458:15250 191.18065:35738 196.03659:166884 201.16568:11990 203.18112:15803 214.0466:14126 220.85204:9251 229.19699:196784 241.19383:13080 249.18552:48254 255.23146:1158084 256.237:8639 279.23495:88805 280.23462:19349 281.24979:1545738 283.24042:1155218 303.19952:12652 303.23355:61661 306.08255:25194 309.22278:13675 327.23096:2129022 329.24222:9705 389.24121:8618 417.24121:10855 418.42416:10582 419.25247:47523 434.2717:39982 437.2702:21848 452.27374:191254 460.28934:46043 478.29572:241779 507.21802:10822 524.28052:16448 701.50458:24304 722.17908:10813 762.50922:64444 788.52167:72627 1135.55725:9151 1245.4967:11207"},{"Metabolite":"CL 80:15|CL 38:4_42:11","Alignment ID":"5950","Average Rt(min)":"16.356","Average Mz":"1545.97742","Adduct type":"[M-H]-","Fill %":"0.566","MS/MS assigned":"TRUE","Reference RT":"13.22","Reference m/z":"1545.98059","Formula":"C89H144O17P2","Ontology":"CL","INCHIKEY":"PRJHRVQUXLIMDX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"43.4","Reverse dot product":"60.8","Fragment presence %":"100","S/N average":"367.78","Spectrum reference file name":"210226_Hamze_MM-1835_110n","MS1 isotopic spectrum":"1545.97815:3043324 1546.9815:8685152 1547.98486:8218046","MS/MS spectrum":"128.70419:7398 134.98428:10808 152.99423:135159 161.75066:7374 178.24464:49259 189.24011:9040 210.32344:8104 223.0247:9864 253.21655:8847 254.94287:27453 279.23508:681700 280.23978:11923 281.24991:10149 283.24567:41379 307.26477:230252 310.97012:11084 327.23111:99878 415.22638:328021 443.26108:27237 451.23273:9746 463.22998:43194 488.46213:10347 571.78979:10267 573.20172:17295 577.43915:10679 591.20831:57533 601.22736:13153 758.2547:10515 765.45703:10907 799.5:11106 853.44427:19527 881.47485:297455 899.47656:11257 901.4494:285489 919.44067:14420 929.49036:16550 955.52142:12078 1217.74731:24057 1235.73853:34638 1237.69983:11025 1255.70642:16957 1265.75159:19371 1283.73389:30555 1296.21973:10237 1447.96082:44540 1545.96277:374243"},{"Metabolite":"CL 80:16|CL 18:2_22:6_18:2_22:6","Alignment ID":"5938","Average Rt(min)":"15.441","Average Mz":"1543.96204","Adduct type":"[M-H]-","Fill %":"0.648","MS/MS assigned":"TRUE","Reference RT":"13.18","Reference m/z":"1543.96484","Formula":"C89H142O17P2","Ontology":"CL","INCHIKEY":"SURSCEYIJQNVKN-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"54.1","Reverse dot product":"32.5","Fragment presence %":"100","S/N average":"536.12","Spectrum reference file name":"210226_Hamze_MM-1835_047n","MS1 isotopic spectrum":"1543.96875:600623 1544.9721:1867281 1545.97546:967265","MS/MS spectrum":"130.89189:9119 152.99612:100231 174.27257:7841 181.96573:9823 192.42981:8708 279.23486:267451 283.2403:22722 327.23083:53248 415.22604:55543 433.24341:22314 463.21887:14716 580.00977:10649 660.81342:10186 743.45435:12971 826.65277:9936"},{"Metabolite":"CL 80:17|CL 38:5_42:12","Alignment ID":"5927","Average Rt(min)":"15.625","Average Mz":"1541.94421","Adduct type":"[M-H]-","Fill %":"0.524","MS/MS assigned":"TRUE","Reference RT":"12.99","Reference m/z":"1541.94934","Formula":"C89H140O17P2","Ontology":"CL","INCHIKEY":"WLECPLHCODPEQZ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCC=CCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"86","RT similarity":"100","Dot product":"18.5","Reverse dot product":"16","Fragment presence %":"100","S/N average":"53.97","Spectrum reference file name":"210226_Hamze_MM-1835_045n","MS1 isotopic spectrum":"1541.9458:186158 1542.94915:460131 1543.95251:336898","MS/MS spectrum":"94.0415:4340 94.67132:4796 104.80766:5668 115.4567:6080 135.623:6982 145.0894:7495 148.89293:10185 148.92999:9604 152.99623:20210 164.78326:9154 211.53049:8454 279.23502:65642 303.23361:15495 327.23102:14985 415.22629:30010 643.15576:11110 721.49213:9513 853.44409:13587 877.44226:20141 901.44916:20593 1402.89685:10436 1522.85999:11578 1541.92395:28670"},{"Metabolite":"CL 82:7|CL 44:3_38:4","Alignment ID":"6095","Average Rt(min)":"10.747","Average Mz":"1590.13159","Adduct type":"[M-H]-","Fill %":"0.593","MS/MS assigned":"TRUE","Reference RT":"13.93","Reference m/z":"1590.13708","Formula":"C91H164O17P2","Ontology":"CL","INCHIKEY":"SYFYBAJEPGUTJR-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC=CCC=CCC=CCC)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"94.9","RT similarity":"99.9","Dot product":"65.9","Reverse dot product":"24.8","Fragment presence %":"100","S/N average":"1038","Spectrum reference file name":"210226_Hamze_MM-1835_001n","MS1 isotopic spectrum":"1590.13245:1322002 1591.1358:4958653 1592.13916:3162936","MS/MS spectrum":"122.12321:6704 152.99631:291821 178.2728:10475 202.14664:7730 259.24487:13959 278.65991:8423 283.26624:875186 303.2338:254472 419.25278:385425 437.27054:232952 439.23077:52289 457.23019:15655 718.91925:10407 723.4942:147975 791.69373:10674 1274.01172:10819 1529.58264:9942"},{"Metabolite":"d7_LPC","Alignment ID":"1313","Average Rt(min)":"8","Average Mz":"587.40515","Adduct type":"[M-2H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"8.02","Reference m/z":"587.4043","Formula":"null","Ontology":"null","INCHIKEY":"null","SMILES":"null","Annotation tag (VS1.0)":"annotated by user-defined text library","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"FALSE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"99.9","RT similarity":"99.9","Dot product":"null","Reverse dot product":"null","Fragment presence %":"null","S/N average":"80040.43","Spectrum reference file name":"210226_Hamze_MM-1835_126n","MS1 isotopic spectrum":"587.40479:125031856 588.40814:71707576 589.4115:14113132","MS/MS spectrum":"120.99922:6556 124.97148:7383 153.80397:7066 172.59766:7389 178.26752:38981 201.64746:8009 220.69702:7854 222.78157:7948 224.07245:14118 225.54176:7771 229.18204:8465 236.40388:7354 242.08104:28326 288.29199:1202792 305.25049:61530 402.42102:9321 513.36908:94769 530.32562:13412"},{"Metabolite":"d7_LPE","Alignment ID":"746","Average Rt(min)":"8.088","Average Mz":"485.33673","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"8.1","Reference m/z":"485.33731","Formula":"null","Ontology":"null","INCHIKEY":"null","SMILES":"null","Annotation tag (VS1.0)":"annotated by user-defined text library","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"FALSE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"null","Reverse dot product":"null","Fragment presence %":"null","S/N average":"547.23","Spectrum reference file name":"210226_Hamze_MM-1835_blank1n","MS1 isotopic spectrum":"485.33746:5198698 486.34081:2429551 487.34417:357050","MS/MS spectrum":"132.46074:6870 140.01207:9797 178.26759:23971 196.03664:44645 240.48759:8622 255.23152:10761 288.29211:422332 390.12506:9222 439.38873:11492 485.33591:28249"},{"Metabolite":"d7_PC","Alignment ID":"3311","Average Rt(min)":"11.264","Average Mz":"811.61902","Adduct type":"[M+CH3COO]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"11.26","Reference m/z":"811.61829","Formula":"null","Ontology":"null","INCHIKEY":"null","SMILES":"null","Annotation tag (VS1.0)":"annotated by user-defined text library","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"FALSE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3311","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"null","Reverse dot product":"null","Fragment presence %":"null","S/N average":"25410.51","Spectrum reference file name":"210226_Hamze_MM-1835_079n","MS1 isotopic spectrum":"811.61859:105401496 812.62194:78381808 813.6253:23571406","MS/MS spectrum":"152.99611:80270 168.04211:158562 178.27258:28476 224.06877:140717 241.21785:2637619 242.08096:16902 242.22256:19509 283.26587:121930 284.26666:83532 287.28546:112994 288.2919:7484700 303.2334:42983 304.23938:18822 419.25226:25190 420.25873:35580 437.26016:14079 438.27307:18946 448.28284:84078 466.29541:336690 495.36102:28049 513.3689:46154 620.31519:11706 737.59082:352638 769.10742:10093"},{"Metabolite":"d7_PE","Alignment ID":"2359","Average Rt(min)":"11.473","Average Mz":"709.55139","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"11.44","Reference m/z":"709.55127","Formula":"null","Ontology":"null","INCHIKEY":"null","SMILES":"null","Annotation tag (VS1.0)":"annotated by user-defined text library","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"FALSE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"99.7","RT similarity":"99.5","Dot product":"null","Reverse dot product":"null","Fragment presence %":"null","S/N average":"4026.07","Spectrum reference file name":"210226_Hamze_MM-1835_020n","MS1 isotopic spectrum":"709.55139:26500534 710.55474:19438730 711.5581:5523673","MS/MS spectrum":"140.01212:112523 172.2356:9054 178.27277:29721 196.0367:99558 239.49371:9322 241.21809:1870148 242.22282:24784 287.28577:67036 288.29221:5329018 420.24991:40648 438.2637:176664 467.32465:15319 485.33606:15196 709.55322:81569"},{"Metabolite":"d7_PI","Alignment ID":"3438","Average Rt(min)":"10.054","Average Mz":"828.56183","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"10.09","Reference m/z":"828.56189","Formula":"null","Ontology":"null","INCHIKEY":"null","SMILES":"null","Annotation tag (VS1.0)":"annotated by user-defined text library","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"FALSE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"99.9","RT similarity":"100","Dot product":"null","Reverse dot product":"null","Fragment presence %":"null","S/N average":"4849.29","Spectrum reference file name":"210226_Hamze_MM-1835_012n","MS1 isotopic spectrum":"828.56238:41751908 829.56573:36651072 830.56909:11391830","MS/MS spectrum":"134.98593:12189 148.91634:35340 152.99622:306006 222.99962:283802 241.013:1136231 241.21802:1402668 259.02081:96696 287.28568:25280 288.29211:1624369 297.03708:239032 315.04871:69236 377.20914:706467 395.22113:45541 424.28381:117843 539.26208:598285 540.27191:16498 557.27429:137224 586.33044:154667 604.34155:22116 626.02795:10368 828.5705:2377418"},{"Metabolite":"d7_PS","Alignment ID":"2803","Average Rt(min)":"10.117","Average Mz":"753.53992","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"10.18","Reference m/z":"753.54108","Formula":"null","Ontology":"null","INCHIKEY":"null","SMILES":"null","Annotation tag (VS1.0)":"annotated by user-defined text library","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"FALSE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"98.6","RT similarity":"97.5","Dot product":"null","Reverse dot product":"null","Fragment presence %":"null","S/N average":"3547.75","Spectrum reference file name":"210226_Hamze_MM-1835_001n","MS1 isotopic spectrum":"753.54028:18039942 754.54363:11861145 755.54699:3858456","MS/MS spectrum":"96.96932:9102 114.34857:6835 134.98433:9130 152.99631:541300 171.00452:11824 220.05093:8882 241.21815:1583250 242.22289:20008 253.22096:8903 272.69904:9553 277.21713:13031 288.29227:714619 335.65271:8142 377.20935:743228 378.2103:12759 395.22134:367241 424.28406:155954 442.30084:52683 596.49133:11358 666.5047:241548"},{"Metabolite":"d9_SM","Alignment ID":"3185","Average Rt(min)":"10.861","Average Mz":"796.65399","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"10.87","Reference m/z":"796.65192","Formula":"null","Ontology":"null","INCHIKEY":"null","SMILES":"null","Annotation tag (VS1.0)":"annotated by user-defined text library","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"FALSE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"null","Reverse dot product":"null","Fragment presence %":"null","S/N average":"2439.27","Spectrum reference file name":"210226_Hamze_MM-1835_062n","MS1 isotopic spectrum":"796.65192:32031728 797.65527:32055528 798.65863:7998097","MS/MS spectrum":"122.98554:33750 153.29335:7004 168.0423:1020570 178.24464:16880 196.13399:8606 269.24603:11768 283.26105:9216 377.24857:75417 395.255:18517 399.79922:8782 403.2634:10437 409.57065:9604 449.31436:26314 651.53802:25193 699.37524:10096 722.61725:5079931"},{"Metabolite":"GM3 34:0;2O","Alignment ID":"5368","Average Rt(min)":"9.619","Average Mz":"1153.72034","Adduct type":"[M-H]-","Fill %":"0.834","MS/MS assigned":"TRUE","Reference RT":"8.62","Reference m/z":"1153.72156","Formula":"C57H106N2O21","Ontology":"GM3","INCHIKEY":"KXQNEJQSYZEOOI-UHFFFAOYSA-N","SMILES":"O=C(O)C1(OC2C(O)C(OC(CO)C2O)OC3C(O)C(O)C(OCC(NC(=O)CCCCCCCCCCCCCCCCCCCCC)C(O)CCCCCCCCC)OC3CO)OC(C(O)C(O)CO)C(N=C(O)C)C(O)C1","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"88.1","RT similarity":"100","Dot product":"28.8","Reverse dot product":"39.1","Fragment presence %":"100","S/N average":"58.12","Spectrum reference file name":"210226_Hamze_MM-1835_056n","MS1 isotopic spectrum":"1153.7207:4752032 1154.72405:8264635 1155.72741:3111334","MS/MS spectrum":"101.024:25827 113.02364:35997 115.00251:9314 119.03429:14658 123.04412:7431 126.05556:45977 138.05482:34894 140.0708:8671 142.04944:79319 143.0343:13967 149.04716:8408 150.0545:16944 154.05011:18619 161.04395:17087 168.06566:38929 170.0457:27072 178.24461:28686 179.05478:16947 194.04504:12261 221.06723:9930 246.09772:13082 272.07626:16186 281.24988:23007 290.08743:944619 327.23108:9889 372.16324:11724 538.52344:64615 700.56818:10980 742.34613:9700 807.7674:10988 862.61914:15969 1153.72742:97705"},{"Metabolite":"GM3 34:1;2O","Alignment ID":"5364","Average Rt(min)":"9.603","Average Mz":"1151.7074","Adduct type":"[M-H]-","Fill %":"0.545","MS/MS assigned":"TRUE","Reference RT":"8.36","Reference m/z":"1151.70593","Formula":"C57H104N2O21","Ontology":"GM3","INCHIKEY":"XHVPEMCBFLXJCK-UHFFFAOYSA-N","SMILES":"O=C(O)C1(OC2C(O)C(OC(CO)C2O)OC3C(O)C(O)C(OCC(NC(=O)CCCCCCCCCCCCCCCCCCCCC)C(O)C=CCCCCCCC)OC3CO)OC(C(O)C(O)CO)C(N=C(O)C)C(O)C1","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"88.8","RT similarity":"100","Dot product":"33.3","Reverse dot product":"41.2","Fragment presence %":"100","S/N average":"1296.18","Spectrum reference file name":"210226_Hamze_MM-1835_113n","MS1 isotopic spectrum":"1151.7074:16261968 1152.71075:32064152 1153.71411:12802022","MS/MS spectrum":"100.04023:15464 101.024:29448 109.02885:12152 110.06043:7738 112.03929:12415 113.02364:47552 115.0025:24801 119.03428:29321 126.05556:71102 127.03989:7481 128.52721:8043 131.0352:8342 138.05481:61854 139.0406:10720 140.0708:18596 142.04942:121126 143.0343:38371 150.0545:32264 151.76227:7817 153.01859:8484 154.05009:33794 157.90448:7736 161.04395:22050 167.35674:9148 168.06564:59823 170.0457:48988 178.27272:20999 179.05476:21067 180.06487:16404 194.04503:14160 202.07251:11770 221.06721:11049 225.77118:8332 246.0977:14523 272.07626:27791 290.0874:1545755 390.72144:8773 536.50299:67696 640.08459:8617 680.56036:13281 698.56165:21149 860.60962:22030 1151.71033:177351"},{"Metabolite":"GM3 36:1;2O","Alignment ID":"5404","Average Rt(min)":"10.058","Average Mz":"1179.73804","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"8.62","Reference m/z":"1179.73718","Formula":"C59H108N2O21","Ontology":"GM3","INCHIKEY":"GRSUOQQVPQXUOM-UHFFFAOYSA-N","SMILES":"O=C(O)C1(OC2C(O)C(OC(CO)C2O)OC3C(O)C(O)C(OCC(NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)C(O)C=CCCCCCCC)OC3CO)OC(C(O)C(O)CO)C(N=C(O)C)C(O)C1","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"87.8","RT similarity":"100","Dot product":"29.3","Reverse dot product":"37.7","Fragment presence %":"100","S/N average":"290.61","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"1179.73816:6797934 1180.74151:11871706 1181.74487:6163924","MS/MS spectrum":"100.04018:18346 101.02395:34250 109.0288:12880 112.03924:11838 113.02357:44472 115.00377:16514 119.03422:31041 123.62938:7033 125.0225:9986 126.0555:63056 138.05475:55853 140.07072:19256 142.05118:138454 143.03423:30689 145.54449:7104 150.0564:25479 153.01851:13302 154.05002:42604 161.04385:20003 168.06557:76669 170.04561:60741 178.24452:60488 179.05467:24042 180.06477:21950 194.04494:20410 202.0724:9805 246.09758:17441 272.07611:26963 283.26083:10306 284.05591:9316 290.08728:1639508 308.29651:16735 376.84741:9673 564.53375:80765 708.55939:11474 726.59583:18328 888.62659:25879 1179.74072:154871"},{"Metabolite":"GM3 38:1;2O","Alignment ID":"5443","Average Rt(min)":"10.644","Average Mz":"1207.76709","Adduct type":"[M-H]-","Fill %":"0.828","MS/MS assigned":"TRUE","Reference RT":"8.84","Reference m/z":"1207.76855","Formula":"C61H112N2O21","Ontology":"GM3","INCHIKEY":"SKGJEAULHAJOHB-UHFFFAOYSA-N","SMILES":"O=C(O)C1(OC2C(O)C(OC(CO)C2O)OC3C(O)C(O)C(OCC(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)C(O)C=CCCCCCCC)OC3CO)OC(C(O)C(O)CO)C(N=C(O)C)C(O)C1","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"81.1","RT similarity":"100","Dot product":"30.3","Reverse dot product":"40.7","Fragment presence %":"100","S/N average":"226.76","Spectrum reference file name":"210226_Hamze_MM-1835_138n","MS1 isotopic spectrum":"1207.76904:857032 1208.77239:1380657 1209.77575:750974","MS/MS spectrum":"113.02364:9683 118.84626:6948 126.05556:11804 142.05124:15041 149.91251:8088 157.1107:8721 178.24716:41650 246.05626:8071 248.01981:8416 290.0874:201569 331.09097:9365 592.56879:13151 1207.771:22479"},{"Metabolite":"GM3 42:2;2O","Alignment ID":"5495","Average Rt(min)":"11.3","Average Mz":"1261.81116","Adduct type":"[M-H]-","Fill %":"0.545","MS/MS assigned":"TRUE","Reference RT":"9.39","Reference m/z":"1261.81543","Formula":"C65H118N2O21","Ontology":"GM3","INCHIKEY":"YELSLZSHXIMPRZ-UHFFFAOYSA-N","SMILES":"O=C(O)C1(OC2C(O)C(OC(CO)C2O)OC3C(O)C(O)C(OCC(NC(=O)CCCCCCCCCCCCCCCC=CCCCCCCCCCC)C(O)C=CCCCCCCCCC)OC3CO)OC(C(O)C(O)CO)C(N=C(O)C)C(O)C1","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"86.4","RT similarity":"100","Dot product":"24.6","Reverse dot product":"37.5","Fragment presence %":"100","S/N average":"421","Spectrum reference file name":"210226_Hamze_MM-1835_062n","MS1 isotopic spectrum":"1261.8125:1161933 1262.81585:2873251 1263.81921:1367899","MS/MS spectrum":"101.02402:9932 103.62542:6136 113.02366:18915 115.85068:6291 117.60413:6679 119.03431:5902 121.86855:6394 126.05559:13430 138.05484:16777 142.05127:36262 144.75414:8002 154.05014:12089 165.23848:7226 168.06569:15481 170.04573:13471 178.2702:65448 245.94446:8758 290.08746:411486 646.61987:31570 759.75897:11170 970.73273:11934 1004.79138:10611 1216.01526:12070 1261.79614:37711"},{"Metabolite":"HexCer 34:1;2O|HexCer 18:1;2O/16:0","Alignment ID":"2246","Average Rt(min)":"11.109","Average Mz":"698.55627","Adduct type":"[M-H]-","Fill %":"0.731","MS/MS assigned":"TRUE","Reference RT":"9.21","Reference m/z":"698.55762","Formula":"C40H77NO8","Ontology":"HexCer_NS","INCHIKEY":"VJLLLMIZEJJZTE-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"59.3","Reverse dot product":"43.3","Fragment presence %":"100","S/N average":"1410.43","Spectrum reference file name":"210226_Hamze_MM-1835_014n","MS1 isotopic spectrum":"698.55853:26462026 699.56188:29713460 700.56524:6811928","MS/MS spectrum":"101.02399:101422 113.02363:195127 119.03567:8952 125.02406:9074 131.0352:18130 143.03429:37695 149.0452:9804 152.99622:11812 159.03108:13476 161.04613:40116 178.27271:16306 179.05733:27195 203.22472:8139 220.12444:10825 237.22177:180221 254.2493:140831 255.23152:266245 256.23706:36751 263.23871:136495 268.26199:23052 279.23502:109468 280.26489:480416 281.24985:19870 296.25812:115585 298.27216:14432 308.25598:12277 426.33676:9610 488.48517:116389 500.49106:15242 504.48199:77910 506.49527:158544 518.49023:65271 536.50299:1552011 562.98181:9825 601.36969:9413 698.56158:12575"},{"Metabolite":"HexCer 37:1;2O|HexCer 17:1;2O/20:0","Alignment ID":"2682","Average Rt(min)":"12.349","Average Mz":"740.6037","Adduct type":"[M-H]-","Fill %":"0.683","MS/MS assigned":"TRUE","Reference RT":"10.92","Reference m/z":"740.60461","Formula":"C43H83NO8","Ontology":"HexCer_NS","INCHIKEY":"QBVJFFADFXSLBO-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"95.6","RT similarity":"100","Dot product":"45.9","Reverse dot product":"30.4","Fragment presence %":"100","S/N average":"14.25","Spectrum reference file name":"210226_Hamze_MM-1835_063n","MS1 isotopic spectrum":"740.60431:1178744 741.60766:793690 742.61102:178988","MS/MS spectrum":"90.78193:5044 93.73184:5175 101.02396:26686 113.0236:26858 119.03424:19835 148.92801:13127 178.26755:17002 179.68146:7371 223.20708:9407 279.22992:92775 280.23459:11553 281.24976:20798 290.00244:8943 297.27899:16423 305.24481:27942 306.24933:13815 322.31064:12649 336.3269:19512 353.59351:9268 463.63669:9688 548.53632:18580 578.55786:148323 582.94562:9500"},{"Metabolite":"HexCer 38:0;2O|HexCer 18:0;2O/20:0","Alignment ID":"2826","Average Rt(min)":"13.136","Average Mz":"756.63745","Adduct type":"[M-H]-","Fill %":"0.848","MS/MS assigned":"TRUE","Reference RT":"11.87","Reference m/z":"756.63593","Formula":"C44H87NO8","Ontology":"HexCer_NDS","INCHIKEY":"JMHGBISEAGEKAI-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"41.3","Reverse dot product":"72","Fragment presence %":"100","S/N average":"665.78","Spectrum reference file name":"210226_Hamze_MM-1835_143n","MS1 isotopic spectrum":"756.63745:20664692 757.6408:18330256 758.64416:5788553","MS/MS spectrum":"95.01337:9110 101.0239:302543 113.02352:220843 115.03947:8143 119.03416:101782 125.02394:10425 126.00378:6899 131.03346:35848 136.30547:7151 140.01195:21438 143.03415:61573 149.04506:19892 152.99608:9786 161.04378:90153 165.80762:7811 168.04208:7898 179.0546:49668 188.98579:8754 223.11388:9251 239.23497:19460 262.01379:8921 269.25043:14166 279.22977:90679 281.24957:47016 283.26581:8727 293.28561:21315 298.18341:9187 305.24463:41289 306.24915:57952 307.25284:35423 311.29382:75171 336.32669:101301 352.31888:29238 546.56879:37970 562.55127:52237 576.57538:35366 594.58673:507013 756.61993:82419"},{"Metabolite":"HexCer 38:1;2O|HexCer 18:1;2O/20:0","Alignment ID":"2813","Average Rt(min)":"12.797","Average Mz":"754.61914","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"11.38","Reference m/z":"754.62018","Formula":"C44H85NO8","Ontology":"HexCer_NS","INCHIKEY":"DFELABABMXOKTD-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"30.2","Reverse dot product":"48.9","Fragment presence %":"100","S/N average":"1230.86","Spectrum reference file name":"210226_Hamze_MM-1835_073n","MS1 isotopic spectrum":"754.62:9076679 755.62335:8227776 756.62671:2258819","MS/MS spectrum":"101.02396:108489 112.9849:7392 113.0236:94965 113.73392:7248 119.03424:78720 131.03355:9744 143.03424:15232 149.04517:8464 159.02888:7907 161.04388:17829 179.0547:8459 197.42609:7790 237.22171:40948 241.05714:9422 263.23862:52894 268.26663:12670 279.22995:13704 293.28583:40560 303.23355:22902 304.23383:23913 305.23911:12920 307.26462:72738 308.26752:20063 310.31155:64936 311.29404:79539 334.28329:17157 336.3269:226583 352.31912:47924 362.4296:10013 493.03748:9318 544.54425:56327 560.53711:53087 562.55164:78084 574.55939:26863 592.5686:660263 754.61334:13533"},{"Metabolite":"HexCer 39:1;2O|HexCer 17:1;2O/22:0","Alignment ID":"2941","Average Rt(min)":"13.291","Average Mz":"768.63721","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"11.93","Reference m/z":"768.63593","Formula":"C45H87NO8","Ontology":"HexCer_NS","INCHIKEY":"XTLMNQSTQDQRNX-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"19.6","Reverse dot product":"52.3","Fragment presence %":"100","S/N average":"948.36","Spectrum reference file name":"210226_Hamze_MM-1835_108n","MS1 isotopic spectrum":"768.63513:3927818 769.63848:3226636 770.64184:791375","MS/MS spectrum":"101.02402:86380 113.02366:58394 119.03431:58167 124.37223:6650 140.01033:9465 143.03432:11036 144.65509:7176 147.5984:7937 161.04617:9296 168.0423:9553 178.2421:10541 179.05737:7899 203.02895:8584 223.2072:12493 249.22365:9860 255.2316:53405 263.23877:20095 279.23511:119225 281.24991:46934 283.26614:91738 284.26697:12684 291.30612:30836 292.30695:12337 303.2337:28135 304.23401:48715 305.2507:371843 321.31906:16696 324.327:20080 325.31381:14088 333.28171:14255 338.34265:22219 339.32706:25187 350.33957:54102 364.35611:52028 366.33551:18789 380.35153:13193 411.08777:10135 413.95749:9579 418.13046:9618 458.27109:16480 558.56207:28300 567.42554:10469 574.55969:20851 576.57605:45421 588.57788:13005 606.58118:377129 659.10284:10384 684.81219:9545 768.6275:12758"},{"Metabolite":"HexCer 40:0;2O|HexCer 18:0;2O/22:0","Alignment ID":"3081","Average Rt(min)":"14.103","Average Mz":"784.66699","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"12.69","Reference m/z":"784.66718","Formula":"C46H91NO8","Ontology":"HexCer_NDS","INCHIKEY":"BCRCIDJHDMYLDJ-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"59.7","Reverse dot product":"34","Fragment presence %":"100","S/N average":"334.57","Spectrum reference file name":"210226_Hamze_MM-1835_097n","MS1 isotopic spectrum":"784.66736:5725011 785.67071:4292972 786.67407:3724868","MS/MS spectrum":"101.02396:100443 113.02358:83044 119.03423:59001 131.03354:9127 143.03423:7884 168.04218:34816 179.05469:11415 239.23906:20211 279.22992:58343 281.24466:10271 297.27896:13568 300.28995:18474 305.25052:18710 306.2493:13750 309.28113:11347 321.31885:36955 333.28149:32277 334.28326:27382 335.28296:21672 337.30914:12725 338.34244:9789 339.32684:64888 364.35587:184718 380.35129:47863 401.30524:9441 574.58893:47764 590.59106:85063 604.59668:31033 622.61096:957231 784.63702:40169"},{"Metabolite":"HexCer 40:1;2O|HexCer 18:1;2O/22:0","Alignment ID":"3061","Average Rt(min)":"13.757","Average Mz":"782.65088","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"12.4","Reference m/z":"782.65149","Formula":"C46H89NO8","Ontology":"HexCer_NS","INCHIKEY":"YIGARKIIFOHVPF-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"34.9","Reverse dot product":"64","Fragment presence %":"100","S/N average":"5180.68","Spectrum reference file name":"210226_Hamze_MM-1835_127n","MS1 isotopic spectrum":"782.6507:97666608 783.65405:100121384 784.65741:29439942","MS/MS spectrum":"101.02397:32360 113.02361:25234 113.38182:6216 119.03425:23299 125.60088:5766 125.61298:6978 143.14084:7373 156.2012:8511 178.24712:33093 213.76445:8949 236.86122:9205 237.22171:16498 263.23865:12157 279.23495:41390 280.23462:12879 282.72931:9101 303.23355:19873 304.23956:25338 305.24484:24898 321.31891:10402 335.2962:17028 336.30045:23694 337.30255:9679 338.3425:21382 339.3269:19014 364.35593:47059 380.35135:13832 503.52213:9162 588.57758:15053 590.59113:23580 602.59064:9249 620.5976:182993 782.63513:18533"},{"Metabolite":"HexCer 40:2;2O|HexCer 18:1;2O/22:1","Alignment ID":"3049","Average Rt(min)":"12.863","Average Mz":"780.63562","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"11.47","Reference m/z":"780.63593","Formula":"C46H87NO8","Ontology":"HexCer_NS","INCHIKEY":"XDWFOSIXGINYNC-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"26.3","Reverse dot product":"50.4","Fragment presence %":"100","S/N average":"1366.12","Spectrum reference file name":"210226_Hamze_MM-1835_127n","MS1 isotopic spectrum":"780.63574:7906666 781.63909:7905255 782.64245:2222396","MS/MS spectrum":"101.02397:50314 113.02361:91279 119.03564:6975 131.03517:14008 140.01025:14834 143.03426:14907 147.56754:8083 161.0439:12588 178.24712:42657 179.05472:16399 205.73619:8974 237.22171:59455 259.24469:26032 263.23865:84012 286.25842:12251 297.27902:117147 303.23355:268281 305.25055:54274 319.30005:52495 329.24863:53811 330.25159:79244 331.25266:37589 333.27502:9183 336.32693:63766 337.3092:84325 362.34073:289737 362.45926:11422 378.33643:52022 468.33481:13632 494.33304:12734 570.55835:51370 586.55902:53326 588.57758:86387 600.57861:33227 618.57745:598149 780.61737:13592"},{"Metabolite":"HexCer 40:2;2O|HexCer 18:2;2O/22:0","Alignment ID":"3048","Average Rt(min)":"12.864","Average Mz":"780.63519","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"11.67","Reference m/z":"780.63593","Formula":"C46H87NO8","Ontology":"HexCer_NS","INCHIKEY":"LWOBEIHJFQUNNQ-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"98.9","RT similarity":"100","Dot product":"17.5","Reverse dot product":"35.7","Fragment presence %":"100","S/N average":"551.92","Spectrum reference file name":"210226_Hamze_MM-1835_144n","MS1 isotopic spectrum":"780.63586:2549489 781.63921:2901493 782.64257:505009","MS/MS spectrum":"92.72665:4865 93.4557:4595 101.02392:25861 110.30373:6429 113.02354:15638 113.41028:7898 119.03418:14780 139.97995:6187 161.41309:7339 175.6116:7401 187.44987:7325 196.0365:11545 205.80898:7889 235.20636:12185 259.24454:21634 279.2348:12486 290.30478:12518 297.27887:47338 298.84799:8470 303.2334:153448 305.2504:52579 306.25494:9226 321.31873:12472 331.26541:108492 332.26459:136928 333.27484:201231 334.28314:146132 335.28943:62292 338.33563:16221 339.32672:11156 359.29401:23577 360.29788:27944 361.306:16071 364.35571:42905 445.14032:9697 447.30612:15507 463.30435:15498 464.3125:22702 465.31314:13752 466.32782:11297 570.57269:11351 588.57727:18235 618.57709:123703 759.7807:10568 780.57013:10370"},{"Metabolite":"HexCer 41:1;2O|HexCer 18:1;2O/23:0","Alignment ID":"3186","Average Rt(min)":"14.259","Average Mz":"796.66766","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"12.87","Reference m/z":"796.66718","Formula":"C47H91NO8","Ontology":"HexCer_NS","INCHIKEY":"SJGWLQDELUWRDA-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"32.8","Reverse dot product":"58.7","Fragment presence %":"100","S/N average":"2178.79","Spectrum reference file name":"210226_Hamze_MM-1835_052n","MS1 isotopic spectrum":"796.66589:28536606 797.66924:25016172 798.6726:7680907","MS/MS spectrum":"100.39459:6817 101.02396:42744 101.04578:4741 113.0236:40514 116.63241:5646 119.03424:30813 161.04388:7969 168.04221:11289 237.22171:13403 240.93663:9910 250.6916:8529 263.23862:15596 281.24976:12325 283.26599:31105 305.25055:68761 312.99936:9496 333.28152:21103 335.33572:14460 352.36172:21051 353.34378:35297 378.37592:58218 385.25659:9444 394.37036:18071 397.9856:9372 586.60474:12572 592.86298:10469 602.59058:22803 604.59674:26244 634.60797:211428 796.64319:13907"},{"Metabolite":"HexCer 41:2;2O|HexCer 17:1;2O/24:1","Alignment ID":"3161","Average Rt(min)":"13.301","Average Mz":"794.65045","Adduct type":"[M-H]-","Fill %":"0.966","MS/MS assigned":"TRUE","Reference RT":"11.96","Reference m/z":"794.65149","Formula":"C47H89NO8","Ontology":"HexCer_NS","INCHIKEY":"ILBZMQBETYDISD-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"25.4","Reverse dot product":"54.2","Fragment presence %":"100","S/N average":"615.49","Spectrum reference file name":"210226_Hamze_MM-1835_063n","MS1 isotopic spectrum":"794.65094:5431102 795.65429:4842165 796.65765:1699001","MS/MS spectrum":"101.02396:61932 109.71532:5643 113.0236:61143 119.03424:33880 126.49582:6760 143.6386:7131 168.04219:9395 179.0547:8233 185.46263:7420 205.19228:8326 223.20708:33692 233.89131:8492 237.22169:10065 249.22351:24682 259.24466:17020 283.26086:78390 303.23352:161239 311.29404:42243 331.26556:56036 347.33139:17744 351.32715:16763 364.3559:29388 365.3436:28189 376.36093:32430 390.37326:93692 406.36765:26075 465.24869:14811 466.25238:13984 584.58118:34189 600.57855:27509 602.59058:50832 614.58282:13629 632.60443:309220 722.99243:11256 794.64313:10701"},{"Metabolite":"HexCer 41:2;2O|HexCer 18:2;2O/23:0","Alignment ID":"3162","Average Rt(min)":"13.487","Average Mz":"794.65253","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"12.05","Reference m/z":"794.65149","Formula":"C47H89NO8","Ontology":"HexCer_NS","INCHIKEY":"LIFQWWUBGFSGFL-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"93","RT similarity":"100","Dot product":"16.7","Reverse dot product":"32.7","Fragment presence %":"100","S/N average":"107.35","Spectrum reference file name":"210226_Hamze_MM-1835_061n","MS1 isotopic spectrum":"794.65063:1118336 795.65398:999275 796.65734:383497","MS/MS spectrum":"101.02402:8743 102.18964:6231 112.98496:8262 113.02366:9196 167.06889:8259 168.04228:9199 178.27275:15136 209.69279:8280 224.069:9588 235.2066:10368 259.24481:16072 281.24991:14035 283.26102:107155 303.2337:197667 305.245:21590 311.29419:10514 331.26575:44331 373.28357:9216 378.3761:16012 465.24896:26996 466.25262:18905 632.6048:40018 769.22272:9582"},{"Metabolite":"HexCer 42:0;2O|HexCer 18:0;2O/24:0","Alignment ID":"3322","Average Rt(min)":"15.114","Average Mz":"812.69879","Adduct type":"[M-H]-","Fill %":"0.966","MS/MS assigned":"TRUE","Reference RT":"13.12","Reference m/z":"812.69849","Formula":"C48H95NO8","Ontology":"HexCer_NDS","INCHIKEY":"SNPQGCDJHZAVOB-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"65.8","Reverse dot product":"34.4","Fragment presence %":"100","S/N average":"162.25","Spectrum reference file name":"210226_Hamze_MM-1835_056n","MS1 isotopic spectrum":"812.69946:12314742 813.70281:14848423 814.70617:4632956","MS/MS spectrum":"101.024:110574 113.02364:91472 119.03429:73385 123.87334:7481 131.0336:13987 143.0343:10995 149.04521:8987 161.04395:20962 179.05478:12568 213.7813:10485 227.15065:8536 239.23521:19090 298.60989:9618 300.2901:21979 309.27545:12269 333.28168:10277 334.28342:19424 335.2897:11030 349.34888:44247 366.37311:10135 367.35391:59319 392.38525:210329 408.38062:40613 602.62256:59520 618.61066:80038 625.7254:9452 632.63892:26790 650.64606:1029966 705.12964:10375 812.67023:15736"},{"Metabolite":"HexCer 42:1;2O|HexCer 18:1;2O/24:0","Alignment ID":"3306","Average Rt(min)":"14.748","Average Mz":"810.68231","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"13.05","Reference m/z":"810.6828","Formula":"C48H93NO8","Ontology":"HexCer_NS","INCHIKEY":"POQRWMRXUOPCLD-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"FALSE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"59.6","Reverse dot product":"46.1","Fragment presence %":"100","S/N average":"4951.46","Spectrum reference file name":"210226_Hamze_MM-1835_003n","MS1 isotopic spectrum":"810.68231:32330336 811.68566:39607492 812.68902:11906111","MS/MS spectrum":"95.01441:19304 101.02396:519039 113.02359:241451 119.03423:211098 125.02402:13859 131.03516:57672 143.03424:71938 149.04515:35500 159.02887:27204 161.04607:81190 162.47302:7846 179.05727:63527 237.22168:303138 239.23907:12043 245.76219:9245 250.2532:14507 260.75256:9483 263.23862:338108 266.24945:13835 268.2619:41379 279.23492:208149 280.2648:31423 281.24976:20250 298.27759:34331 349.34872:285538 361.31351:14104 366.37292:414271 367.3613:450524 392.3934:1286256 408.38043:331301 420.38843:30049 530.3913:18492 548.41217:19948 600.61017:324652 612.60815:26603 616.59991:251455 618.61041:473842 630.61035:141762 648.63678:3383650 649.63123:12714 810.68353:33520"},{"Metabolite":"HexCer 42:2;2O|HexCer 18:1;2O/24:1","Alignment ID":"3291","Average Rt(min)":"13.763","Average Mz":"808.6687","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"12.55","Reference m/z":"808.66718","Formula":"C48H91NO8","Ontology":"HexCer_NS","INCHIKEY":"PPSREVDUNDPZIG-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"27.7","Reverse dot product":"51.1","Fragment presence %":"100","S/N average":"6977.78","Spectrum reference file name":"210226_Hamze_MM-1835_082n","MS1 isotopic spectrum":"808.66541:32213684 809.66876:31817556 810.67212:9653010","MS/MS spectrum":"101.02396:111076 113.0236:98703 119.03424:75607 124.18622:6616 125.76578:6532 131.03355:11484 143.03424:8182 149.04515:11217 161.04388:14907 178.2701:50292 179.0547:10294 214.0365:8301 237.22169:49333 263.23862:51977 297.27899:10903 303.23352:63621 304.23383:19081 305.23907:21590 329.2486:45378 330.25156:59023 331.25909:28406 347.33139:37276 357.26996:9977 364.3559:59653 365.3436:78660 390.37326:193399 406.36765:57698 415.68079:10486 495.36127:15019 598.59235:40646 614.58282:22041 616.59991:74796 628.59192:20024 646.61951:432632 808.65521:10215"},{"Metabolite":"HexCer 42:2;2O|HexCer 18:2;2O/24:0","Alignment ID":"3290","Average Rt(min)":"13.968","Average Mz":"808.66797","Adduct type":"[M-H]-","Fill %":"0.703","MS/MS assigned":"TRUE","Reference RT":"12.69","Reference m/z":"808.66718","Formula":"C48H91NO8","Ontology":"HexCer_NS","INCHIKEY":"RVHBZEQSKCGIES-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"46.2","Reverse dot product":"35.6","Fragment presence %":"100","S/N average":"535.53","Spectrum reference file name":"210226_Hamze_MM-1835_097n","MS1 isotopic spectrum":"808.66589:3655926 809.66924:3393389 810.6726:1234100","MS/MS spectrum":"101.02396:11480 113.02358:25662 125.56913:5830 132.57698:6998 141.00449:6949 152.13625:7158 163.3549:8228 171.71727:7312 178.27264:14800 187.91374:7668 190.716:7572 235.20645:18806 261.22336:17219 279.23492:55305 303.23349:12376 305.24478:10417 306.2493:13621 349.34869:12700 359.29413:59509 360.29803:73275 361.30612:76014 366.37292:14751 367.36127:25139 390.37323:11641 392.39337:68585 614.58276:10208 616.59985:20830 646.61945:186423"},{"Metabolite":"HexCer 42:3;2O|HexCer 18:1;2O/24:2","Alignment ID":"3274","Average Rt(min)":"13.02","Average Mz":"806.65021","Adduct type":"[M-H]-","Fill %":"0.876","MS/MS assigned":"TRUE","Reference RT":"11.73","Reference m/z":"806.65149","Formula":"C48H89NO8","Ontology":"HexCer_NS","INCHIKEY":"HERULGHEQVQXKL-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCC=CCC=CCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"14.9","Reverse dot product":"53.1","Fragment presence %":"100","S/N average":"543.28","Spectrum reference file name":"210226_Hamze_MM-1835_047n","MS1 isotopic spectrum":"806.65045:8236506 807.6538:8494955 808.65716:2849139","MS/MS spectrum":"101.02393:114582 113.02356:96741 119.0342:34442 131.03511:16907 143.03419:23627 161.04602:23403 179.05464:14296 235.20641:27747 237.22162:29991 255.23137:1504633 261.2233:24243 263.23853:24640 281.24966:10153 283.2659:160433 284.1741:9023 303.23343:13933 309.28107:11847 329.2485:19916 331.26547:36384 345.3176:20692 347.3313:18348 355.26266:14774 356.27136:22910 357.26984:16891 359.29407:65436 362.34061:28373 363.32755:39382 364.35577:24263 365.34348:42759 388.36032:124721 390.37314:108773 404.35208:17457 405.27908:13730 406.36752:28868 464.31256:11424 466.32788:15198 476.34729:66302 494.35645:144102 596.58453:54885 612.57544:50908 614.58264:58547 626.58295:21473 644.59381:498950 732.58368:179701 806.63416:16631"},{"Metabolite":"HexCer 43:2;2O|HexCer 18:1;2O/25:1","Alignment ID":"3387","Average Rt(min)":"14.241","Average Mz":"822.68097","Adduct type":"[M-H]-","Fill %":"0.897","MS/MS assigned":"TRUE","Reference RT":"12.86","Reference m/z":"822.6828","Formula":"C49H93NO8","Ontology":"HexCer_NS","INCHIKEY":"ZJIKLHKQNGPXHK-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"52.9","Reverse dot product":"35.8","Fragment presence %":"100","S/N average":"100.05","Spectrum reference file name":"210226_Hamze_MM-1835_058n","MS1 isotopic spectrum":"822.68152:1296675 823.68487:902878 824.68823:267173","MS/MS spectrum":"101.02399:32632 103.19071:5390 110.32621:5324 110.7392:5240 113.02363:23946 115.19209:6371 115.22661:8497 118.69477:5502 119.03428:22162 121.92487:5625 171.8624:7255 178.24716:24221 237.22177:14896 244.09955:9260 251.23807:9310 263.23871:12795 297.39471:9014 361.35052:11367 378.37601:14457 379.35782:15844 390.37338:18067 404.38727:32671 612.6084:14589 630.6106:19850 642.61322:9279 660.63147:146311 714.32568:9428 818.34619:9478"},{"Metabolite":"HexCer 44:1;2O|HexCer 18:1;2O/26:0","Alignment ID":"3541","Average Rt(min)":"15.709","Average Mz":"838.71204","Adduct type":"[M-H]-","Fill %":"0.883","MS/MS assigned":"TRUE","Reference RT":"13.23","Reference m/z":"838.71411","Formula":"C50H97NO8","Ontology":"HexCer_NS","INCHIKEY":"DOIOUJPHIXRQFM-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"95.9","RT similarity":"100","Dot product":"49.3","Reverse dot product":"32.7","Fragment presence %":"100","S/N average":"21.63","Spectrum reference file name":"210226_Hamze_MM-1835_063n","MS1 isotopic spectrum":"838.71271:552179 839.71606:252087 840.71942:0","MS/MS spectrum":"93.84204:5219 101.02396:8461 103.89545:6054 107.45578:5993 113.0236:9107 124.60929:6295 145.60675:7414 178.26755:16653 178.85934:9841 208.46571:7075 222.5426:9087 237.22169:8471 263.23862:11456 281.95502:10258 312.45309:8629 352.43985:9899 353.52213:9934 395.38135:10152 420.42548:21395 450.31793:9934 644.64673:9609 676.66913:48479"},{"Metabolite":"HexCer 44:2;2O|HexCer 20:1;2O/24:1","Alignment ID":"3520","Average Rt(min)":"14.71","Average Mz":"836.69751","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"13.08","Reference m/z":"836.69849","Formula":"C50H95NO8","Ontology":"HexCer_NS","INCHIKEY":"LFWAQJQXRQWPNZ-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=1023","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"95.2","RT similarity":"100","Dot product":"44.2","Reverse dot product":"31.8","Fragment presence %":"100","S/N average":"46.22","Spectrum reference file name":"210226_Hamze_MM-1835_096n","MS1 isotopic spectrum":"836.69995:952631 837.7033:1121981 838.70666:299829","MS/MS spectrum":"92.88316:4947 101.02396:24921 113.02488:15294 119.03423:8672 127.62453:6142 132.68359:6294 145.33171:7133 178.2701:46306 186.50017:8288 265.25406:8753 303.23352:78479 304.23383:11491 344.19739:8193 358.2872:10497 390.37323:21107 418.40573:17223 550.43097:18538 642.61304:10972 644.64673:15528 674.65137:104446 764.29828:10363"},{"Metabolite":"LPA 16:1","Alignment ID":"418","Average Rt(min)":"6.748","Average Mz":"407.22006","Adduct type":"[M-H]-","Fill %":"0.931","MS/MS assigned":"TRUE","Reference RT":"5.41","Reference m/z":"407.2204","Formula":"C19H37O7P","Ontology":"LPA","INCHIKEY":"GLGQZYWTNAOWHT-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)O)CCCCCCCC=CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"52.4","Reverse dot product":"70.4","Fragment presence %":"100","S/N average":"25.63","Spectrum reference file name":"210226_Hamze_MM-1835_102n","MS1 isotopic spectrum":"407.21997:580428 408.22332:159620 409.22668:38975","MS/MS spectrum":"119.11098:6037 121.1566:6577 122.00439:7092 152.99619:183126 160.40942:8090 177.74228:8114 178.24455:24216 236.91211:8517 407.22217:9200"},{"Metabolite":"LPA 18:1","Alignment ID":"519","Average Rt(min)":"7.658","Average Mz":"435.25015","Adduct type":"[M-H]-","Fill %":"0.952","MS/MS assigned":"TRUE","Reference RT":"6.15","Reference m/z":"435.25171","Formula":"C21H41O7P","Ontology":"LPA","INCHIKEY":"WRGQSWVCFNIUNZ-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)O)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"73.7","Reverse dot product":"86","Fragment presence %":"100","S/N average":"761.94","Spectrum reference file name":"210226_Hamze_MM-1835_017n","MS1 isotopic spectrum":"435.25134:2590448 436.25469:839821 437.25805:120213","MS/MS spectrum":"124.00668:65682 152.99625:182911 178.24208:11539 194.15538:7518 249.80762:8682 435.24518:111406"},{"Metabolite":"LPA 18:2","Alignment ID":"512","Average Rt(min)":"7.1","Average Mz":"433.23535","Adduct type":"[M-H]-","Fill %":"0.724","MS/MS assigned":"TRUE","Reference RT":"5.78","Reference m/z":"433.23611","Formula":"C21H39O7P","Ontology":"LPA","INCHIKEY":"ZQTAMPRZFOOEEP-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)O)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"FALSE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"56.7","Reverse dot product":"79.9","Fragment presence %":"100","S/N average":"96.47","Spectrum reference file name":"210226_Hamze_MM-1835_135n","MS1 isotopic spectrum":"433.23535:2365609 434.2387:1053747 435.24206:282846","MS/MS spectrum":"98.07465:5625 100.49084:5589 109.23329:4961 118.84767:5410 122.3016:5276 124.00668:304003 124.63475:6454 125.01058:25359 152.99626:268750 171.00687:14340 178.27275:19428 196.5061:8393 205.03784:8493 230.16882:8260 238.01625:8582 297.24063:9449 433.2244:375189 433.33093:60682"},{"Metabolite":"LPA 19:0","Alignment ID":"582","Average Rt(min)":"8.261","Average Mz":"451.28226","Adduct type":"[M-H]-","Fill %":"0.814","MS/MS assigned":"TRUE","Reference RT":"7.12","Reference m/z":"451.28299","Formula":"C22H45O7P","Ontology":"LPA","INCHIKEY":"YAERNOYIELLICR-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)O)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"57.6","Reverse dot product":"62","Fragment presence %":"100","S/N average":"14.67","Spectrum reference file name":"210226_Hamze_MM-1835_109n","MS1 isotopic spectrum":"451.28299:520255 452.28634:1564156 453.2897:452558","MS/MS spectrum":"138.10536:6979 152.99423:66965 156.90161:6764 178.24464:28541 231.64185:8824 240.26758:10226 244.29218:8448 255.23158:24889 283.26102:27490 309.39816:8111 451.26361:697106"},{"Metabolite":"LPA 20:1","Alignment ID":"641","Average Rt(min)":"8.644","Average Mz":"463.28891","Adduct type":"[M-H]-","Fill %":"0.952","MS/MS assigned":"TRUE","Reference RT":"7.06","Reference m/z":"463.28299","Formula":"C23H45O7P","Ontology":"LPA","INCHIKEY":"OAYFHKCHTMNTLM-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)O)CCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"90.3","RT similarity":"100","Dot product":"48.9","Reverse dot product":"54.2","Fragment presence %":"100","S/N average":"83.82","Spectrum reference file name":"210226_Hamze_MM-1835_092n","MS1 isotopic spectrum":"463.28793:3495130 464.29128:1392541 465.29464:1779466","MS/MS spectrum":"96.959:44055 100.56438:5410 107.45579:6020 124.4571:6875 152.99416:8139 157.51103:7783 163.03261:23033 178.24712:32035 185.03491:7317 189.0473:21409 283.26089:12498 463.28329:454398"},{"Metabolite":"LPA 22:4","Alignment ID":"744","Average Rt(min)":"7.358","Average Mz":"485.26712","Adduct type":"[M-H]-","Fill %":"0.917","MS/MS assigned":"TRUE","Reference RT":"6.12","Reference m/z":"485.2674","Formula":"C25H43O7P","Ontology":"LPA","INCHIKEY":"KARLIJKROVESIP-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)O)CCCCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"89.3","RT similarity":"100","Dot product":"16","Reverse dot product":"38.3","Fragment presence %":"100","S/N average":"25.8","Spectrum reference file name":"210226_Hamze_MM-1835_060n","MS1 isotopic spectrum":"485.26724:236551 486.27059:124762 487.27395:0","MS/MS spectrum":"107.64625:5868 114.25538:6095 123.01043:6248 135.51286:7047 140.84471:6533 141.65399:7849 152.99422:30172 163.06396:9238 178.24719:31121 180.65004:7971 183.04594:8002 195.66588:8661 374.43222:10594"},{"Metabolite":"LPG 17:1","Alignment ID":"797","Average Rt(min)":"7.058","Average Mz":"495.27264","Adduct type":"[M-H]-","Fill %":"0.566","MS/MS assigned":"TRUE","Reference RT":"5.69","Reference m/z":"495.2728","Formula":"C23H45O9P","Ontology":"LPG","INCHIKEY":"HSPWLAMZJUXRME-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"74.9","Reverse dot product":"89.4","Fragment presence %":"100","S/N average":"71.41","Spectrum reference file name":"210226_Hamze_MM-1835_136n","MS1 isotopic spectrum":"495.27289:342493 496.27624:1262686 497.2796:352773","MS/MS spectrum":"92.95821:5668 95.58482:4584 119.93034:6523 136.80934:8055 142.44289:6405 143.24576:7324 152.99625:18763 159.01819:6643 162.80939:6870 245.03999:10011 245.3533:7833 267.23187:179944 303.52301:10075 355.24136:9847 495.27863:15403"},{"Metabolite":"LPG 18:0","Alignment ID":"876","Average Rt(min)":"8.115","Average Mz":"511.30414","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"6.58","Reference m/z":"511.30411","Formula":"C24H49O9P","Ontology":"LPG","INCHIKEY":"HFJVKBVEKQHVTO-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"97.2","Reverse dot product":"98.4","Fragment presence %":"100","S/N average":"616.13","Spectrum reference file name":"210226_Hamze_MM-1835_040n","MS1 isotopic spectrum":"511.30423:1732875 512.30758:688732 513.31094:158886","MS/MS spectrum":"111.9744:6367 114.30785:6336 120.90218:6111 152.99625:96053 161.66895:6836 227.03307:49119 245.03999:17055 268.465:8466 272.29807:9215 283.26611:814784 511.30249:226355"},{"Metabolite":"LPG 18:1","Alignment ID":"868","Average Rt(min)":"7.48","Average Mz":"509.28821","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"6.07","Reference m/z":"509.28851","Formula":"C24H47O9P","Ontology":"LPG","INCHIKEY":"FQQQKGAFQIIGLQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"94.8","Reverse dot product":"95.2","Fragment presence %":"100","S/N average":"5914.09","Spectrum reference file name":"210226_Hamze_MM-1835_069n","MS1 isotopic spectrum":"509.28824:99455032 510.29159:48743976 511.29495:9204600","MS/MS spectrum":"152.99622:509612 171.00682:63086 172.27924:9230 196.00717:6966 227.03304:240058 245.04407:90958 261.37766:8938 281.24985:6205632 282.25015:25058 356.45215:9620 417.24127:24617 435.25485:14781 509.28497:840331"},{"Metabolite":"LPG 18:3","Alignment ID":"839","Average Rt(min)":"6.221","Average Mz":"505.25717","Adduct type":"[M-H]-","Fill %":"0.883","MS/MS assigned":"TRUE","Reference RT":"5.17","Reference m/z":"505.2572","Formula":"C24H43O9P","Ontology":"LPG","INCHIKEY":"AZCURGXIIHFART-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"73.8","Reverse dot product":"84.5","Fragment presence %":"100","S/N average":"90.7","Spectrum reference file name":"210226_Hamze_MM-1835_111n","MS1 isotopic spectrum":"505.25726:883022 506.26061:362110 507.26397:70052","MS/MS spectrum":"152.99626:8958 178.26764:51869 215.43535:8106 232.23347:7807 243.74376:7854 245.04002:9314 277.21707:232335 505.26166:11596"},{"Metabolite":"LPG 19:1","Alignment ID":"930","Average Rt(min)":"7.807","Average Mz":"523.30463","Adduct type":"[M-H]-","Fill %":"0.683","MS/MS assigned":"TRUE","Reference RT":"6.42","Reference m/z":"523.30408","Formula":"C25H49O9P","Ontology":"LPG","INCHIKEY":"XEYMIBOUJRVPFY-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"85.4","Reverse dot product":"89.5","Fragment presence %":"100","S/N average":"17.35","Spectrum reference file name":"210226_Hamze_MM-1835_131n","MS1 isotopic spectrum":"523.30347:1257618 524.30682:8506132 525.31018:2210047","MS/MS spectrum":"95.88252:4845 97.96524:4874 115.67949:5487 140.32391:6762 143.62387:6444 152.99423:37817 178.24719:16621 227.03308:14185 229.70462:9195 284.26694:18336 295.26422:476669 336.10202:10610 523.30255:44825"},{"Metabolite":"LPG 20:1","Alignment ID":"1002","Average Rt(min)":"8.089","Average Mz":"537.32025","Adduct type":"[M-H]-","Fill %":"0.91","MS/MS assigned":"TRUE","Reference RT":"6.69","Reference m/z":"537.31982","Formula":"C26H51O9P","Ontology":"LPG","INCHIKEY":"DSSLARKCOKEORS-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(O)CO)CCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"90.4","Reverse dot product":"91.2","Fragment presence %":"100","S/N average":"490.28","Spectrum reference file name":"210226_Hamze_MM-1835_019n","MS1 isotopic spectrum":"537.32031:2186724 538.32366:1263256 539.32702:238439","MS/MS spectrum":"96.95904:13044 152.99422:64228 171.00687:13616 187.23256:8568 227.03308:25497 245.04413:27061 309.28131:1136308 319.03693:10186 320.62137:8877 523.46967:9269 537.31787:85240"},{"Metabolite":"LPG 20:2","Alignment ID":"990","Average Rt(min)":"7.678","Average Mz":"535.3042","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"6.22","Reference m/z":"535.30408","Formula":"C26H49O9P","Ontology":"LPG","INCHIKEY":"ALJXGNMOATZBMV-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(O)CO)CCCCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"82.5","Reverse dot product":"88.1","Fragment presence %":"100","S/N average":"245.92","Spectrum reference file name":"210226_Hamze_MM-1835_099n","MS1 isotopic spectrum":"535.30414:1070194 536.30749:452478 537.31085:71616","MS/MS spectrum":"90.35529:4501 93.31136:4698 98.51508:4701 101.12322:5125 110.21674:5166 120.50201:6031 124.23821:6494 150.42218:6524 152.99411:32714 200.78935:7268 206.18361:9002 227.03293:12412 245.04395:10705 307.26456:690020 489.55316:9841 535.30389:38527 535.39697:15515"},{"Metabolite":"LPG 20:3","Alignment ID":"977","Average Rt(min)":"7.262","Average Mz":"533.28729","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"5.84","Reference m/z":"533.28851","Formula":"C26H47O9P","Ontology":"LPG","INCHIKEY":"DOAHYXIAGJMIQT-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(O)CO)CCCCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"86.4","Reverse dot product":"90.7","Fragment presence %":"100","S/N average":"984.97","Spectrum reference file name":"210226_Hamze_MM-1835_006n","MS1 isotopic spectrum":"533.28857:1338163 534.29192:791700 535.29528:94376","MS/MS spectrum":"90.34883:5218 98.70644:4920 109.96993:5416 111.90057:5745 122.75294:5734 125.21935:6309 128.77939:6353 152.99413:32562 156.08804:8055 227.03293:18579 245.04396:15013 304.33636:8543 305.25049:668615 335.84393:10633 475.06625:9356 533.28833:46747"},{"Metabolite":"LPG 20:5","Alignment ID":"958","Average Rt(min)":"6.288","Average Mz":"529.25714","Adduct type":"[M-H]-","Fill %":"0.917","MS/MS assigned":"TRUE","Reference RT":"5.12","Reference m/z":"529.2572","Formula":"C26H43O9P","Ontology":"LPG","INCHIKEY":"UBJZUYNJJSKNCQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(O)CO)CCCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"60.1","Reverse dot product":"61.1","Fragment presence %":"100","S/N average":"40.71","Spectrum reference file name":"210226_Hamze_MM-1835_054n","MS1 isotopic spectrum":"529.25739:630902 530.26074:254396 531.2641:35732","MS/MS spectrum":"108.90427:6771 133.96626:7451 138.29721:6352 141.22412:7301 152.99419:10637 157.51532:7447 257.22638:12471 301.2197:80743 354.27994:11082 519.13733:10073"},{"Metabolite":"LPG 22:4","Alignment ID":"1109","Average Rt(min)":"7.55","Average Mz":"559.30377","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"5.93","Reference m/z":"559.30408","Formula":"C28H49O9P","Ontology":"LPG","INCHIKEY":"KJSNLKUMZOSQGP-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(O)CO)CCCCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"91.3","Reverse dot product":"98","Fragment presence %":"100","S/N average":"1799.67","Spectrum reference file name":"210226_Hamze_MM-1835_047n","MS1 isotopic spectrum":"559.30493:4821454 560.30828:1989936 561.31164:385533","MS/MS spectrum":"113.4557:5875 140.72084:7123 145.85226:7391 152.99409:44444 171.00673:7525 222.36797:8951 222.59601:9172 227.0329:22254 245.04393:12279 287.27505:18258 331.26547:385684 559.29932:68885"},{"Metabolite":"LPG O-17:0","Alignment ID":"739","Average Rt(min)":"6.513","Average Mz":"483.31461","Adduct type":"[M-H]-","Fill %":"0.566","MS/MS assigned":"TRUE","Reference RT":"6.7","Reference m/z":"483.3092","Formula":"C23H49O8P","Ontology":"EtherLPG","INCHIKEY":"AOZFLIIFFAIKGP-UHFFFAOYSA-N","SMILES":"O=P(O)(OCC(O)CO)OCC(O)COCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"87.9","RT similarity":"100","Dot product":"60.3","Reverse dot product":"70.8","Fragment presence %":"100","S/N average":"12.41","Spectrum reference file name":"210226_Hamze_MM-1835_129n","MS1 isotopic spectrum":"483.3139:225292 484.31725:120024 485.32061:44965","MS/MS spectrum":"119.84576:6269 120.72395:6068 125.80066:5962 126.03885:6624 152.9942:19664 163.36171:7243 178.24461:18109 255.22278:10953 335.65915:7938 354.10822:10526 483.31033:66979"},{"Metabolite":"LPI 16:0","Alignment ID":"1203","Average Rt(min)":"7.183","Average Mz":"571.28784","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"5.51","Reference m/z":"571.28888","Formula":"C25H49O12P","Ontology":"LPI","INCHIKEY":"UOXRPRZMAROFPH-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"83.4","Reverse dot product":"93.5","Fragment presence %":"100","S/N average":"11413.48","Spectrum reference file name":"210226_Hamze_MM-1835_137n","MS1 isotopic spectrum":"571.28937:56037764 572.29272:28165130 573.29608:5913300","MS/MS spectrum":"107.28619:5915 125.58279:6225 152.00545:7117 152.99623:294249 156.71394:8183 156.94591:14819 157.91727:7348 158.86972:7493 174.95645:123946 223.00322:12149 241.01303:258331 255.23154:480607 295.40042:8718 315.04877:236868 333.05966:8789 376.87115:12055 391.22778:75408 394.88394:33175 555.41455:9177 571.29089:795350"},{"Metabolite":"LPI 17:0","Alignment ID":"1295","Average Rt(min)":"7.616","Average Mz":"585.30487","Adduct type":"[M-H]-","Fill %":"0.952","MS/MS assigned":"TRUE","Reference RT":"5.91","Reference m/z":"585.3045","Formula":"C26H51O12P","Ontology":"LPI","INCHIKEY":"KNQQEDTUCAXLKN-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"85.4","Reverse dot product":"92","Fragment presence %":"100","S/N average":"623.63","Spectrum reference file name":"210226_Hamze_MM-1835_082n","MS1 isotopic spectrum":"585.30487:5634179 586.30822:2548266 587.31158:548769","MS/MS spectrum":"105.33262:6476 122.18834:6202 150.5808:7216 152.99414:109442 178.27266:18996 178.82339:7549 241.00893:108777 259.94522:18389 269.24585:221667 303.23352:13270 315.04865:107811 382.18979:9274 405.24417:38242 585.31024:359729"},{"Metabolite":"LPI 18:0","Alignment ID":"1404","Average Rt(min)":"7.959","Average Mz":"599.31903","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"6.19","Reference m/z":"599.32019","Formula":"C27H53O12P","Ontology":"LPI","INCHIKEY":"MXAFDFDAIFZFET-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"89.3","Reverse dot product":"92.3","Fragment presence %":"100","S/N average":"30881.49","Spectrum reference file name":"210226_Hamze_MM-1835_075n","MS1 isotopic spectrum":"599.32056:508114528 600.32391:228691072 601.32727:50560464","MS/MS spectrum":"152.99615:7168716 171.00674:86987 179.05467:39726 222.99951:308696 241.01289:7546952 259.02069:187364 283.26593:15454313 315.04858:6269266 333.05948:242506 419.2616:2306959 437.27008:253694 599.31622:22157210"},{"Metabolite":"LPI 18:1","Alignment ID":"1394","Average Rt(min)":"7.401","Average Mz":"597.30536","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"5.61","Reference m/z":"597.3045","Formula":"C27H51O12P","Ontology":"LPI","INCHIKEY":"UGDOFRYHDCDVHD-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"90","Reverse dot product":"92.5","Fragment presence %":"100","S/N average":"1766.33","Spectrum reference file name":"210226_Hamze_MM-1835_062n","MS1 isotopic spectrum":"597.30377:36505020 598.30712:16927572 599.31048:3651826","MS/MS spectrum":"139.00719:12202 152.99423:1901787 171.00688:34229 178.24721:28441 179.05481:13822 222.99968:67028 241.01308:2058382 259.02087:47751 281.24991:4469296 315.04883:1727348 333.05972:62985 417.24142:653732 435.255:58547 597.30536:5943337"},{"Metabolite":"LPI 18:3","Alignment ID":"1357","Average Rt(min)":"5.977","Average Mz":"593.27417","Adduct type":"[M-H]-","Fill %":"0.634","MS/MS assigned":"TRUE","Reference RT":"4.92","Reference m/z":"593.27319","Formula":"C27H47O12P","Ontology":"LPI","INCHIKEY":"MLBWOYIGPAJIRN-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"56.5","Reverse dot product":"91.6","Fragment presence %":"100","S/N average":"22.85","Spectrum reference file name":"210226_Hamze_MM-1835_120n","MS1 isotopic spectrum":"593.27417:617396 594.27752:305239 595.28088:59435","MS/MS spectrum":"138.34082:6644 139.64984:6683 152.48743:7047 152.99615:30847 156.94583:13481 174.95636:63441 180.42073:7242 191.36523:8351 241.01291:35154 277.21689:91941 315.04858:17620 394.88376:29702 413.20764:8985 416.86621:58252 593.28156:77803"},{"Metabolite":"LPI 19:0","Alignment ID":"1531","Average Rt(min)":"8.238","Average Mz":"613.33569","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"6.47","Reference m/z":"613.33582","Formula":"C28H55O12P","Ontology":"LPI","INCHIKEY":"DKQHHQKSUPFNHU-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"87.3","Reverse dot product":"92.7","Fragment presence %":"100","S/N average":"3369.43","Spectrum reference file name":"210226_Hamze_MM-1835_120n","MS1 isotopic spectrum":"613.33569:10313312 614.33904:3690677 615.3424:866399","MS/MS spectrum":"152.99615:252972 178.24197:8634 241.01291:242229 279.23492:20924 292.1351:8830 297.27896:521366 315.04858:199577 433.27252:82324 493.53146:9607 580.24988:9925 613.34143:672599"},{"Metabolite":"LPI 19:1","Alignment ID":"1518","Average Rt(min)":"7.77","Average Mz":"611.31927","Adduct type":"[M-H]-","Fill %":"0.959","MS/MS assigned":"TRUE","Reference RT":"5.95","Reference m/z":"611.32019","Formula":"C28H53O12P","Ontology":"LPI","INCHIKEY":"USRBSGCIOAIXMX-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCC=CCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"64.1","Reverse dot product":"95.4","Fragment presence %":"100","S/N average":"334.21","Spectrum reference file name":"210226_Hamze_MM-1835_133n","MS1 isotopic spectrum":"611.31879:640130 612.32214:272382 613.3255:0","MS/MS spectrum":"96.52077:5025 119.29969:7143 121.0851:5911 127.85248:5886 136.24756:6577 152.00749:6573 152.99626:38118 178.2702:23262 241.01308:42263 259.94537:18709 276.16943:9353 280.05353:10450 295.26425:85504 307.50781:8725 315.04883:20965 358.83417:8649 431.2561:12519 437.09375:10375 587.84265:10176 611.32446:112237 611.48682:15140"},{"Metabolite":"LPI 20:0","Alignment ID":"1640","Average Rt(min)":"8.517","Average Mz":"627.35114","Adduct type":"[M-H]-","Fill %":"0.855","MS/MS assigned":"TRUE","Reference RT":"6.76","Reference m/z":"627.3515","Formula":"C29H57O12P","Ontology":"LPI","INCHIKEY":"PEXRQSSMRCDBAO-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"84.4","Reverse dot product":"95.4","Fragment presence %":"100","S/N average":"12423.75","Spectrum reference file name":"210226_Hamze_MM-1835_138n","MS1 isotopic spectrum":"627.3512:2659092 628.35455:1113515 629.35791:219949","MS/MS spectrum":"95.91477:5954 101.47138:4895 141.51108:6416 145.39198:7118 151.98532:7428 152.9942:91356 173.9594:7196 176.28333:7618 176.60039:7377 178.27272:12277 241.009:93687 311.29413:217824 315.04874:79245 373.12866:10426 447.28619:29013 627.34186:287381"},{"Metabolite":"LPI 20:1","Alignment ID":"1625","Average Rt(min)":"8.056","Average Mz":"625.33539","Adduct type":"[M-H]-","Fill %":"0.938","MS/MS assigned":"TRUE","Reference RT":"6.35","Reference m/z":"625.33582","Formula":"C29H55O12P","Ontology":"LPI","INCHIKEY":"ZKGGMMGBNKHRSC-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"74.6","Reverse dot product":"94.6","Fragment presence %":"100","S/N average":"3386.33","Spectrum reference file name":"210226_Hamze_MM-1835_114n","MS1 isotopic spectrum":"625.33527:1200887 626.33862:632159 627.34198:93262","MS/MS spectrum":"106.04076:5409 114.1741:5337 132.56065:6766 151.98129:6778 152.9942:48871 153.99879:8309 178.24716:36195 241.01302:49397 309.28125:116753 315.04874:40512 359.08963:16615 360.09268:13745 361.09253:12624 441.01505:9504 445.27179:17864 571.80438:9918 625.33905:198436"},{"Metabolite":"LPI 20:2","Alignment ID":"1608","Average Rt(min)":"7.611","Average Mz":"623.32092","Adduct type":"[M-H]-","Fill %":"0.91","MS/MS assigned":"TRUE","Reference RT":"5.8","Reference m/z":"623.32019","Formula":"C29H53O12P","Ontology":"LPI","INCHIKEY":"YXHJYKSYLCWEIZ-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"85.6","Reverse dot product":"92.9","Fragment presence %":"100","S/N average":"4438.22","Spectrum reference file name":"210226_Hamze_MM-1835_098n","MS1 isotopic spectrum":"623.32086:2491809 624.32421:1287417 625.32757:250698","MS/MS spectrum":"90.78191:4771 104.09014:5388 112.85605:6038 152.99615:19716 235.33818:8759 241.01291:18468 275.41684:10229 307.26456:63335 315.04858:21716 623.3288:45757"},{"Metabolite":"LPI 20:5","Alignment ID":"1562","Average Rt(min)":"5.74","Average Mz":"617.27283","Adduct type":"[M-H]-","Fill %":"0.924","MS/MS assigned":"TRUE","Reference RT":"4.95","Reference m/z":"617.27319","Formula":"C29H47O12P","Ontology":"LPI","INCHIKEY":"NAVULVNLGJVPQU-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"52.3","Reverse dot product":"90.3","Fragment presence %":"100","S/N average":"23.79","Spectrum reference file name":"210226_Hamze_MM-1835_113n","MS1 isotopic spectrum":"617.27307:369164 618.27642:156069 619.27978:27564","MS/MS spectrum":"97.07497:4541 121.98128:6046 123.17024:5973 128.22112:6337 140.18478:8157 152.99623:22375 167.82962:8034 178.24461:20080 241.01303:18872 269.81134:8623 278.73471:9433 301.21411:23314 315.04874:10656 562.63782:8981 617.27472:18284"},{"Metabolite":"LPI 22:3","Alignment ID":"1815","Average Rt(min)":"7.791","Average Mz":"649.33466","Adduct type":"[M-H]-","Fill %":"0.614","MS/MS assigned":"TRUE","Reference RT":"6.16","Reference m/z":"649.33582","Formula":"C31H55O12P","Ontology":"LPI","INCHIKEY":"CWJJECLSZQDEPA-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCC=CCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"73.2","Reverse dot product":"92.2","Fragment presence %":"100","S/N average":"395.73","Spectrum reference file name":"210226_Hamze_MM-1835_077n","MS1 isotopic spectrum":"649.33636:1072510 650.33971:584580 651.34307:0","MS/MS spectrum":"92.64999:4500 97.30429:5161 99.44867:4596 109.33867:5005 121.29411:5529 152.59459:7357 152.99611:43265 165.78471:8162 178.24701:13098 194.65286:8087 241.0088:16060 295.97339:8662 315.04849:29847 333.28137:51656 649.3288:34223"},{"Metabolite":"LPI 22:4","Alignment ID":"1798","Average Rt(min)":"7.35","Average Mz":"647.32007","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"5.6","Reference m/z":"647.32019","Formula":"C31H53O12P","Ontology":"LPI","INCHIKEY":"SPBHPXJUCMIVGQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"82.7","Reverse dot product":"92.2","Fragment presence %":"100","S/N average":"20512.61","Spectrum reference file name":"210226_Hamze_MM-1835_012n","MS1 isotopic spectrum":"647.32031:1876372 648.32366:1277264 649.32702:300306","MS/MS spectrum":"104.29344:5212 139.94804:7861 145.65962:6669 152.99622:215917 164.43405:9807 171.00682:13474 222.99962:22422 241.013:87434 315.04871:104801 331.26566:250940 647.32642:151079"},{"Metabolite":"LPS 16:0","Alignment ID":"799","Average Rt(min)":"7.185","Average Mz":"496.26718","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"5.42","Reference m/z":"496.2681","Formula":"C22H44NO9P","Ontology":"LPS","INCHIKEY":"XIVOBOJQPNEUSC-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"84.9","Reverse dot product":"83.5","Fragment presence %":"100","S/N average":"923.22","Spectrum reference file name":"210226_Hamze_MM-1835_141n","MS1 isotopic spectrum":"496.26822:4788630 497.27157:1873868 498.27493:397433","MS/MS spectrum":"103.81817:5917 126.68239:6356 128.22729:6845 130.91606:5969 142.60542:6153 152.99617:825848 171.00438:21668 255.23145:16904 271.23007:66835 409.23242:353649 496.27399:12658"},{"Metabolite":"LPS 18:0","Alignment ID":"935","Average Rt(min)":"7.967","Average Mz":"524.30005","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"6.2","Reference m/z":"524.29938","Formula":"C24H48NO9P","Ontology":"LPS","INCHIKEY":"ZPDQFUYPBVXUKS-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"89","Reverse dot product":"83.2","Fragment presence %":"100","S/N average":"1302.76","Spectrum reference file name":"210226_Hamze_MM-1835_113n","MS1 isotopic spectrum":"524.29919:66107696 525.30254:26062508 526.3059:7644689","MS/MS spectrum":"96.96928:12774 150.98042:7695 152.99623:5120988 171.00684:234680 178.24461:20558 219.73573:8751 229.19707:8362 236.30258:10070 283.26608:100370 419.26181:16978 437.27032:2917041 438.27344:9301 524.30646:45343"},{"Metabolite":"LPS 18:2","Alignment ID":"903","Average Rt(min)":"6.532","Average Mz":"520.26788","Adduct type":"[M-H]-","Fill %":"0.966","MS/MS assigned":"TRUE","Reference RT":"5.25","Reference m/z":"520.26813","Formula":"C24H44NO9P","Ontology":"LPS","INCHIKEY":"HLISFLFEEBTXRV-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"70.8","Reverse dot product":"76.1","Fragment presence %":"100","S/N average":"11.67","Spectrum reference file name":"210226_Hamze_MM-1835_113n","MS1 isotopic spectrum":"520.26862:539323 521.27197:197091 522.27533:33777","MS/MS spectrum":"102.6046:4984 152.99623:41645 174.61406:8560 175.58926:8641 193.54681:8263 433.23401:17508"},{"Metabolite":"LPS 20:0","Alignment ID":"1067","Average Rt(min)":"8.525","Average Mz":"552.33075","Adduct type":"[M-H]-","Fill %":"0.924","MS/MS assigned":"TRUE","Reference RT":"6.65","Reference m/z":"552.33069","Formula":"C26H52NO9P","Ontology":"LPS","INCHIKEY":"JRLGKCGUDLONSO-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"92.9","Reverse dot product":"75.9","Fragment presence %":"100","S/N average":"742.57","Spectrum reference file name":"210226_Hamze_MM-1835_037n","MS1 isotopic spectrum":"552.33081:638113 553.33416:134850 554.33752:246055","MS/MS spectrum":"102.09543:4813 120.02771:6025 136.34322:6925 152.99626:122746 465.3028:65480"},{"Metabolite":"LPS 20:1","Alignment ID":"1056","Average Rt(min)":"8.056","Average Mz":"550.31586","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"6.31","Reference m/z":"550.315","Formula":"C26H50NO9P","Ontology":"LPS","INCHIKEY":"WQWSUENXYNSINA-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"81.8","Reverse dot product":"82.6","Fragment presence %":"100","S/N average":"1219.32","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"550.31586:2127306 551.31921:1248867 552.32257:189872","MS/MS spectrum":"93.19341:5221 94.68018:5240 99.724:5254 119.84852:6745 141.75171:6606 152.99615:593149 171.00676:17659 178.24707:84122 197.46181:8384 309.2811:11941 388.90329:8547 463.28317:275733"},{"Metabolite":"LPS 20:5","Alignment ID":"1018","Average Rt(min)":"5.715","Average Mz":"542.25275","Adduct type":"[M-H]-","Fill %":"0.938","MS/MS assigned":"TRUE","Reference RT":"4.85","Reference m/z":"542.25238","Formula":"C26H42NO9P","Ontology":"LPS","INCHIKEY":"GXWJRGLFYSTLKU-UHFFFAOYSA-N","SMILES":"O=C(O)C(N)COP(=O)(O)OCC(O)COC(=O)CCCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"41.9","Reverse dot product":"74.5","Fragment presence %":"100","S/N average":"42.56","Spectrum reference file name":"210226_Hamze_MM-1835_089n","MS1 isotopic spectrum":"542.25281:110635 543.25616:46555 544.25952:0","MS/MS spectrum":"93.78839:4098 99.57663:4246 112.71075:6310 127.84465:6301 152.99416:36167 183.46939:8668 192.34679:7755 194.14369:7665 204.28642:7537 220.10686:8240 316.13821:8401 455.22098:10184"},{"Metabolite":"LPS 22:1","Alignment ID":"1240","Average Rt(min)":"8.594","Average Mz":"578.34711","Adduct type":"[M-H]-","Fill %":"0.952","MS/MS assigned":"TRUE","Reference RT":"6.75","Reference m/z":"578.34631","Formula":"C28H54NO9P","Ontology":"LPS","INCHIKEY":"CVHFVHZXUUCIIZ-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"79.6","Reverse dot product":"83.1","Fragment presence %":"100","S/N average":"182.55","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"578.34711:4617276 579.35046:1923374 580.35382:402381","MS/MS spectrum":"115.03953:16409 121.05927:8086 144.86255:7442 152.99615:862180 153.89207:6877 171.00676:30662 178.26752:47296 188.70168:8355 279.23489:35101 283.26596:31713 310.42892:8667 320.1409:11969 337.30911:20427 396.00668:9902 477.05139:10041 491.31403:412145"},{"Metabolite":"LPS 22:2","Alignment ID":"1224","Average Rt(min)":"8.158","Average Mz":"576.33099","Adduct type":"[M-H]-","Fill %":"0.952","MS/MS assigned":"TRUE","Reference RT":"6.45","Reference m/z":"576.33069","Formula":"C28H52NO9P","Ontology":"LPS","INCHIKEY":"DSUKBLPUEMZQIX-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"70","Reverse dot product":"75.5","Fragment presence %":"100","S/N average":"823.79","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"576.33075:667982 577.3341:244508 578.33746:154055","MS/MS spectrum":"99.62143:4569 110.71163:6544 121.33001:5928 134.4704:7511 134.50223:6406 147.54633:7139 152.99615:86362 190.12352:9526 295.95709:10238 489.29742:49692 542.65265:8730"},{"Metabolite":"LPS 22:4","Alignment ID":"1207","Average Rt(min)":"7.35","Average Mz":"572.29889","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"5.71","Reference m/z":"572.29938","Formula":"C28H48NO9P","Ontology":"LPS","INCHIKEY":"ZZTAHCVZBCTVLB-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"74.9","Reverse dot product":"74.3","Fragment presence %":"100","S/N average":"1611.32","Spectrum reference file name":"210226_Hamze_MM-1835_097n","MS1 isotopic spectrum":"572.30023:1180290 573.30358:762121 574.30694:101054","MS/MS spectrum":"112.98489:7084 118.15094:6210 143.60161:7441 144.06836:6187 152.99617:420897 171.00676:22509 331.272:10121 485.27832:45726 572.28888:11713"},{"Metabolite":"PA 15:0_18:1(d7)","Alignment ID":"1970","Average Rt(min)":"10.119","Average Mz":"666.50958","Adduct type":"[M-H]-","Fill %":"0.593","MS/MS assigned":"TRUE","Reference RT":"8.65","Reference m/z":"666.50977","Formula":"C36H62D7O8P","Ontology":"PA","INCHIKEY":"NKHIVFXDPYZIBK-ZYYJJESQNA-N","SMILES":"[C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C\\CCCCCC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O)COC(CCCCCCCCCCCCCC)=O","Annotation tag (VS1.0)":"430","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"94.3","RT similarity":"100","Dot product":"92.4","Reverse dot product":"75.2","Fragment presence %":"100","S/N average":"471.51","Spectrum reference file name":"210226_Hamze_MM-1835_129n","MS1 isotopic spectrum":"666.50983:2887531 667.51318:2317989 668.51654:721454","MS/MS spectrum":"96.96928:31361 134.98425:12908 152.99623:1232895 171.00684:34462 241.21805:3331067 242.21872:34300 287.28571:15925 288.29214:1340538 377.20917:457570 395.22116:374607 424.28384:59503 442.29065:29851 666.50439:29095"},{"Metabolite":"PA 24:1|PA 8:0_16:1","Alignment ID":"979","Average Rt(min)":"8.637","Average Mz":"533.32532","Adduct type":"[M-H]-","Fill %":"0.662","MS/MS assigned":"TRUE","Reference RT":"7.08","Reference m/z":"533.32489","Formula":"C27H51O8P","Ontology":"PA","INCHIKEY":"PSFAHNINQUMEGF-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP(=O)(O)O)CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"25.1","Reverse dot product":"56.3","Fragment presence %":"100","S/N average":"267.5","Spectrum reference file name":"210226_Hamze_MM-1835_012n","MS1 isotopic spectrum":"533.3252:2464078 534.32855:960268 535.33191:225252","MS/MS spectrum":"115.07536:87961 143.10777:114618 152.99622:106891 171.13896:9655 178.27271:15219 251.06712:28445 253.21649:54583 269.07999:25365 279.09979:20756 281.24985:297621 282.25015:24946 297.10855:13893 309.28125:69263 340.7475:10243"},{"Metabolite":"PA 26:1|PA 8:0_18:1","Alignment ID":"1129","Average Rt(min)":"8.988","Average Mz":"561.35583","Adduct type":"[M-H]-","Fill %":"0.938","MS/MS assigned":"TRUE","Reference RT":"7.48","Reference m/z":"561.3562","Formula":"C29H55O8P","Ontology":"PA","INCHIKEY":"VFNANMJRDULDLW-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)O)CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"71.7","Reverse dot product":"81.1","Fragment presence %":"100","S/N average":"161.05","Spectrum reference file name":"210226_Hamze_MM-1835_088n","MS1 isotopic spectrum":"561.35663:910193 562.35998:379168 563.36334:0","MS/MS spectrum":"94.81189:4085 99.91891:5654 110.96474:6790 115.91089:5503 121.23396:6756 143.10774:87334 152.59467:7532 152.99416:56064 253.21643:10937 279.09973:24121 281.24979:54220 291.15121:9354 297.11398:13002 393.24609:10471 561.37878:12028"},{"Metabolite":"PA 26:2|PA 8:0_18:2","Alignment ID":"1110","Average Rt(min)":"8.704","Average Mz":"559.34027","Adduct type":"[M-H]-","Fill %":"0.855","MS/MS assigned":"TRUE","Reference RT":"7.14","Reference m/z":"559.34052","Formula":"C29H53O8P","Ontology":"PA","INCHIKEY":"WJSFVDGBZMMEIP-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)O)CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"74.8","Reverse dot product":"62.7","Fragment presence %":"100","S/N average":"450.88","Spectrum reference file name":"210226_Hamze_MM-1835_122n","MS1 isotopic spectrum":"559.34027:3225930 560.34362:1458104 561.34698:212034","MS/MS spectrum":"143.10767:558124 152.99609:257282 175.78413:8681 178.27255:31001 198.63478:7950 255.23131:32582 279.09958:117285 279.2348:262446 281.2496:50145 295.03525:8717 297.10831:77603 415.22595:15473 477.29739:14107 532.06055:9468 559.46967:25628"},{"Metabolite":"PA 28:1|PA 10:0_18:1","Alignment ID":"1328","Average Rt(min)":"9.342","Average Mz":"589.38824","Adduct type":"[M-H]-","Fill %":"0.959","MS/MS assigned":"TRUE","Reference RT":"7.9","Reference m/z":"589.38751","Formula":"C31H59O8P","Ontology":"PA","INCHIKEY":"HSZCRHXWOFIAQO-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)O)CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"69.4","Reverse dot product":"62.3","Fragment presence %":"100","S/N average":"461.16","Spectrum reference file name":"210226_Hamze_MM-1835_047n","MS1 isotopic spectrum":"589.38824:4708324 590.39159:3148212 591.39495:718740","MS/MS spectrum":"131.12857:6884 144.03305:6528 152.99612:237690 171.00673:14557 171.13885:434586 178.2726:23784 199.17094:115137 253.22067:51796 281.24966:202724 307.13156:94946 325.14349:65787 335.16425:17024 335.29605:12660 358.61499:8919 400.37457:8805 417.25018:10256 422.5343:9070 492.50879:9854"},{"Metabolite":"PA 28:2|PA 10:0_18:2","Alignment ID":"1312","Average Rt(min)":"9.062","Average Mz":"587.37067","Adduct type":"[M-H]-","Fill %":"0.959","MS/MS assigned":"TRUE","Reference RT":"7.74","Reference m/z":"587.37183","Formula":"C31H57O8P","Ontology":"PA","INCHIKEY":"ZMOZFPNKQHCPRP-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)O)CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"82.8","Reverse dot product":"63","Fragment presence %":"100","S/N average":"706.39","Spectrum reference file name":"210226_Hamze_MM-1835_002n","MS1 isotopic spectrum":"587.3725:2609675 588.37585:1437860 589.37921:259161","MS/MS spectrum":"100.83456:5400 125.3037:6210 129.42203:6366 135.33685:8040 152.99622:178621 166.09007:7824 171.13896:413542 178.24715:33382 178.78236:8417 197.15538:12006 277.12283:8770 279.23502:191954 307.13171:91651 325.14368:53113 415.23535:9908 562.63776:10692"},{"Metabolite":"PA 30:0|PA 14:0_16:0","Alignment ID":"1581","Average Rt(min)":"10.212","Average Mz":"619.43378","Adduct type":"[M-H]-","Fill %":"0.938","MS/MS assigned":"TRUE","Reference RT":"8.5","Reference m/z":"619.43439","Formula":"C33H65O8P","Ontology":"PA","INCHIKEY":"AELHWNFBBREZDX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O)CCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"74.1","Reverse dot product":"71.6","Fragment presence %":"100","S/N average":"156.66","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"619.43347:1313397 620.43682:692031 621.44018:66479","MS/MS spectrum":"135.76891:6329 152.99615:87792 178.27008:94611 209.79376:7424 227.20198:127824 235.02838:8165 250.67877:9008 255.23141:208541 303.23349:11974 363.19379:17102 381.2049:13010 391.22757:30162 409.23236:11322 437.42722:9438 619.48682:12668"},{"Metabolite":"PA 30:1|PA 12:0_18:1","Alignment ID":"1567","Average Rt(min)":"9.776","Average Mz":"617.41827","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"8.28","Reference m/z":"617.41882","Formula":"C33H63O8P","Ontology":"PA","INCHIKEY":"USISMMHLWIDRBP-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)O)CCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"56.2","Reverse dot product":"65.7","Fragment presence %":"100","S/N average":"1046.67","Spectrum reference file name":"210226_Hamze_MM-1835_048n","MS1 isotopic spectrum":"617.41949:6055750 618.42284:2983892 619.4262:601117","MS/MS spectrum":"96.96921:7657 117.22834:6775 129.82759:7440 134.98416:7675 152.99612:386614 155.77023:7326 171.00671:11657 178.27258:37766 199.17093:687435 225.18573:11704 227.20193:200762 253.21632:103164 255.23572:32962 281.24963:280948 296.2579:12486 308.26157:22287 309.26352:26257 311.27621:14731 335.16425:112488 353.17255:91532 363.1937:29989 381.2048:21891 383.7507:9563 417.241:11798 435.25458:12360 535.48999:39978 538.25476:11800 548.3844:10257 617.47186:57530"},{"Metabolite":"PA 30:2|PA 14:1_16:1","Alignment ID":"1550","Average Rt(min)":"9.448","Average Mz":"615.40302","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"8.1","Reference m/z":"615.40308","Formula":"C33H61O8P","Ontology":"PA","INCHIKEY":"BLWZFAQEWKJMSQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP(=O)(O)O)CCCCCCCC=CCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"46.5","Reverse dot product":"69.5","Fragment presence %":"100","S/N average":"2839.15","Spectrum reference file name":"210226_Hamze_MM-1835_015n","MS1 isotopic spectrum":"615.40356:3519107 616.40691:1410417 617.41027:304139","MS/MS spectrum":"99.11101:5349 124.4169:6112 125.30522:7619 132.12584:6504 151.62787:6861 152.99623:199243 178.24718:30852 187.55756:9120 197.12866:7240 197.15541:21670 199.17108:228282 225.18591:145115 253.21652:197357 279.23505:91388 281.24988:11180 335.16449:47034 343.55396:8767 346.21527:9168 353.17282:37852 361.18097:18135 379.19131:18821 389.20834:14509 407.22229:19944 429.60687:10481 433.23401:11126 439.15155:10645 580.31024:9221"},{"Metabolite":"PA 30:3|PA 12:0_18:3","Alignment ID":"1533","Average Rt(min)":"9.233","Average Mz":"613.38751","Adduct type":"[M-H]-","Fill %":"0.89","MS/MS assigned":"TRUE","Reference RT":"7.89","Reference m/z":"613.38751","Formula":"C33H59O8P","Ontology":"PA","INCHIKEY":"UIMQMJBZEPOHRY-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"34.9","Reverse dot product":"56.8","Fragment presence %":"100","S/N average":"162.78","Spectrum reference file name":"210226_Hamze_MM-1835_002n","MS1 isotopic spectrum":"613.388:921855 614.39135:609459 615.39471:192415","MS/MS spectrum":"98.12887:4602 99.17247:6002 103.10185:5785 104.3701:5708 108.00567:5742 123.54829:6682 136.60852:6365 139.40392:7210 152.99622:52054 171.13896:8709 171.30975:7640 197.15538:77429 199.17105:48599 223.77393:8096 277.21698:23827 279.23502:26151 281.24982:10032 333.151:9403 335.16446:10551 353.17279:9182 376.6434:9377 552.05695:9657"},{"Metabolite":"PA 30:4|PA 10:0_20:4","Alignment ID":"1520","Average Rt(min)":"9.023","Average Mz":"611.37195","Adduct type":"[M-H]-","Fill %":"0.814","MS/MS assigned":"TRUE","Reference RT":"7.63","Reference m/z":"611.37183","Formula":"C33H57O8P","Ontology":"PA","INCHIKEY":"NZAARXHBAQUXCJ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"9.8","Reverse dot product":"56.4","Fragment presence %":"100","S/N average":"217.07","Spectrum reference file name":"210226_Hamze_MM-1835_055n","MS1 isotopic spectrum":"611.37177:1012317 612.37512:702497 613.37848:303332","MS/MS spectrum":"120.86507:7259 126.65948:6780 152.9942:79292 169.1375:7561 171.13898:157868 224.06897:69820 225.07347:17905 242.07712:18915 244.55472:8995 274.61887:7877 303.23364:46169 307.13177:20317 311.29416:345145 312.29907:703439 325.14374:24019 502.48062:10352 536.36963:28227 537.37134:308339"},{"Metabolite":"PA 32:0|PA 16:0_16:0","Alignment ID":"1801","Average Rt(min)":"10.851","Average Mz":"647.46478","Adduct type":"[M-H]-","Fill %":"0.517","MS/MS assigned":"TRUE","Reference RT":"8.66","Reference m/z":"647.4657","Formula":"C35H69O8P","Ontology":"PA","INCHIKEY":"PORPENFLTBBHSG-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"99.7","Reverse dot product":"70.9","Fragment presence %":"100","S/N average":"1254.74","Spectrum reference file name":"210226_Hamze_MM-1835_016n","MS1 isotopic spectrum":"647.46478:7226236 648.46813:4411676 649.47149:654672","MS/MS spectrum":"121.52835:7212 128.37872:7006 134.98428:9397 145.07442:8052 152.99625:381848 171.00687:13672 178.2753:12007 185.91371:7323 248.11214:8605 255.23157:1574662 258.86426:8321 348.27872:9086 391.22781:179689 406.491:9134 409.23264:118771 647.46808:13472"},{"Metabolite":"PA 32:1|PA 14:0_18:1","Alignment ID":"1787","Average Rt(min)":"10.308","Average Mz":"645.45056","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"8.58","Reference m/z":"645.45007","Formula":"C35H67O8P","Ontology":"PA","INCHIKEY":"IZDWXHIHOWRUTO-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)O)CCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"69.1","Reverse dot product":"73.7","Fragment presence %":"100","S/N average":"2777.55","Spectrum reference file name":"210226_Hamze_MM-1835_021n","MS1 isotopic spectrum":"645.45038:13701799 646.45373:7968338 647.45709:1555858","MS/MS spectrum":"96.9693:16251 134.98428:10513 152.99626:702731 171.00688:15615 178.24464:38179 220.55292:10254 227.20215:1375151 253.21657:202650 255.2316:512713 281.24994:542038 363.19406:203583 381.20517:154251 389.21667:13686 391.22787:70759 407.22238:10282 409.23267:42116 417.24142:28611 435.24524:11147 563.513:9555 645.47388:11275"},{"Metabolite":"PA 32:2|PA 16:1_16:1","Alignment ID":"1777","Average Rt(min)":"9.896","Average Mz":"643.43512","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"8.35","Reference m/z":"643.43439","Formula":"C35H65O8P","Ontology":"PA","INCHIKEY":"YLDMPBGXNLGSQO-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP(=O)(O)O)CCCCCCCC=CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"68.9","Reverse dot product":"73.8","Fragment presence %":"100","S/N average":"3326.76","Spectrum reference file name":"210226_Hamze_MM-1835_012n","MS1 isotopic spectrum":"643.43323:13302932 644.43658:8087057 645.43994:1645368","MS/MS spectrum":"117.26932:6177 124.2234:7035 134.98425:9816 152.99622:280185 225.18588:50629 253.21649:1031352 281.24985:58339 302.80884:8995 389.20831:114302 407.22226:80641 643.43604:14219"},{"Metabolite":"PA 32:3|PA 14:1_18:2","Alignment ID":"1757","Average Rt(min)":"9.577","Average Mz":"641.41992","Adduct type":"[M-H]-","Fill %":"0.697","MS/MS assigned":"TRUE","Reference RT":"8.17","Reference m/z":"641.41882","Formula":"C35H63O8P","Ontology":"PA","INCHIKEY":"IMNOYYRGXCPRHO-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)O)CCCCCCCC=CCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"83.1","Reverse dot product":"64.3","Fragment presence %":"100","S/N average":"258.18","Spectrum reference file name":"210226_Hamze_MM-1835_002n","MS1 isotopic spectrum":"641.41992:4652039 642.42327:2465225 643.42663:523898","MS/MS spectrum":"96.96927:8812 120.82226:6980 131.07385:6730 132.85281:6516 136.82994:7110 152.99622:377702 172.54904:7296 178.24715:32979 188.34045:8673 199.17105:10323 225.18587:832162 227.20207:12080 251.19957:68538 253.21648:38402 277.21698:10762 279.23502:339637 361.18091:112230 379.19125:80149 415.21719:19445 641.47778:12508"},{"Metabolite":"PA 32:4|PA 12:0_20:4","Alignment ID":"1744","Average Rt(min)":"9.391","Average Mz":"639.40173","Adduct type":"[M-H]-","Fill %":"0.945","MS/MS assigned":"TRUE","Reference RT":"8.09","Reference m/z":"639.40308","Formula":"C35H61O8P","Ontology":"PA","INCHIKEY":"YYSQZICWUXXXMD-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"67.8","Reverse dot product":"57.1","Fragment presence %":"100","S/N average":"46.41","Spectrum reference file name":"210226_Hamze_MM-1835_133n","MS1 isotopic spectrum":"639.40332:1780837 640.40667:984573 641.41003:226617","MS/MS spectrum":"119.54911:5565 129.06868:6354 134.54755:7542 152.99626:141941 199.17113:307922 223.16783:11724 271.24942:8661 279.23511:22143 281.24994:14263 303.2337:90521 328.6019:9832 335.16455:56880 340.32928:19680 353.17291:37570 414.23798:8526 416.9122:9484 417.17737:8872 507.30417:11945"},{"Metabolite":"PA 33:2|PA 15:0_18:2","Alignment ID":"1879","Average Rt(min)":"10.143","Average Mz":"657.44897","Adduct type":"[M-H]-","Fill %":"0.8","MS/MS assigned":"TRUE","Reference RT":"8.46","Reference m/z":"657.45007","Formula":"C36H67O8P","Ontology":"PA","INCHIKEY":"NJIRKJKFJLKBRS-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)O)CCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"26.6","Reverse dot product":"75.1","Fragment presence %":"100","S/N average":"390.59","Spectrum reference file name":"210226_Hamze_MM-1835_124n","MS1 isotopic spectrum":"657.4502:1020942 658.45355:547117 659.45691:30421","MS/MS spectrum":"92.48647:4815 94.20025:5119 99.11621:4749 101.64711:5518 119.94433:5568 151.22359:7550 152.99609:20101 178.24701:50542 206.15811:7734 241.21782:65253 269.03238:18880 277.18207:27947 278.18567:40588 279.18469:20206 279.2348:19963 347.22699:15718 348.22952:23521 349.2294:20527 393.18726:10267 395.22083:8964 396.25201:10864 438.25333:43420 439.25983:52081 465.24844:20548 657.32526:61882 657.43384:70480"},{"Metabolite":"PA 34:1|PA 16:0_18:1","Alignment ID":"2018","Average Rt(min)":"10.962","Average Mz":"673.47925","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"8.75","Reference m/z":"673.48138","Formula":"C37H71O8P","Ontology":"PA","INCHIKEY":"OPVZUEPSMJNLOM-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)O)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"93.3","Reverse dot product":"77.5","Fragment presence %":"100","S/N average":"4128.55","Spectrum reference file name":"210226_Hamze_MM-1835_016n","MS1 isotopic spectrum":"673.48108:63208356 674.48443:43313932 675.48779:7751599","MS/MS spectrum":"96.96929:37308 134.98428:23155 152.99422:1344552 168.04228:8161 171.00687:29918 212.79137:7581 222.41444:8912 253.22087:11479 255.23157:3769069 281.24991:1629247 283.26614:29254 300.2287:7693 349.94559:8786 381.92535:9280 391.22781:525830 409.23264:343634 417.24139:107338 435.25494:58909 673.50549:37559"},{"Metabolite":"PA 34:2|PA 16:1_18:1","Alignment ID":"2007","Average Rt(min)":"10.443","Average Mz":"671.46606","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"8.53","Reference m/z":"671.4657","Formula":"C37H69O8P","Ontology":"PA","INCHIKEY":"HDXXGJAGUJYVES-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)O)CCCCCCCC=CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"96.3","Reverse dot product":"79.6","Fragment presence %":"100","S/N average":"5044.4","Spectrum reference file name":"210226_Hamze_MM-1835_048n","MS1 isotopic spectrum":"671.46625:40612012 672.4696:19210428 673.47296:6676327","MS/MS spectrum":"96.96921:23207 134.98584:19674 152.99612:1127640 171.00671:30049 190.50967:7598 203.69821:8266 225.76007:8546 253.21632:2895020 255.23134:19170 281.24963:1719840 301.01752:9669 389.20804:352208 407.22198:254410 417.241:120897 417.75394:9438 435.25458:77830 671.46417:28896"},{"Metabolite":"PA 34:3|PA 16:1_18:2","Alignment ID":"1994","Average Rt(min)":"10.023","Average Mz":"669.45062","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"8.35","Reference m/z":"669.45007","Formula":"C37H67O8P","Ontology":"PA","INCHIKEY":"ROISGXJHEWMJAP-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)O)CCCCCCCC=CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"93.3","Reverse dot product":"77.6","Fragment presence %":"100","S/N average":"2285.62","Spectrum reference file name":"210226_Hamze_MM-1835_007n","MS1 isotopic spectrum":"669.4505:11006419 670.45385:6156347 671.45721:1701844","MS/MS spectrum":"96.96923:8776 112.82774:5963 139.25731:6471 142.64746:7302 152.99615:444189 154.60994:7606 171.00676:16325 253.21638:1170289 279.23489:504617 284.61188:8289 389.20816:125788 407.22211:103562 415.2261:31593 433.2338:19613 511.61267:10036 551.4306:9000 603.24219:11364 669.45129:11181"},{"Metabolite":"PA 34:4|PA 16:1_18:3","Alignment ID":"1979","Average Rt(min)":"9.741","Average Mz":"667.4353","Adduct type":"[M-H]-","Fill %":"0.841","MS/MS assigned":"TRUE","Reference RT":"8.33","Reference m/z":"667.43439","Formula":"C37H65O8P","Ontology":"PA","INCHIKEY":"RSPKLLUFTBQLDN-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCC=CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"59.1","Reverse dot product":"83.4","Fragment presence %":"100","S/N average":"4214.7","Spectrum reference file name":"210226_Hamze_MM-1835_002n","MS1 isotopic spectrum":"667.43414:7152735 668.43749:3229484 669.44085:811598","MS/MS spectrum":"96.96927:6124 117.34024:6990 136.15535:6811 152.99622:366310 154.36053:7232 166.64996:7801 171.00443:8618 178.27269:16758 251.13974:10505 251.19957:328196 252.3233:10687 253.21648:444127 277.21698:455305 279.23502:123923 387.19629:24380 389.20828:41885 405.20047:22400 407.22223:30852 413.20779:43074 431.2175:33119 667.44751:12244"},{"Metabolite":"PA 34:5|PA 14:1_20:4","Alignment ID":"1962","Average Rt(min)":"9.49","Average Mz":"665.41846","Adduct type":"[M-H]-","Fill %":"0.793","MS/MS assigned":"TRUE","Reference RT":"8.11","Reference m/z":"665.41882","Formula":"C37H63O8P","Ontology":"PA","INCHIKEY":"KCXVFBOEXHONIE-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCC=CCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"48.3","Reverse dot product":"55.4","Fragment presence %":"100","S/N average":"604.77","Spectrum reference file name":"210226_Hamze_MM-1835_139n","MS1 isotopic spectrum":"665.41846:1230171 666.42181:752996 667.42517:74729","MS/MS spectrum":"129.46945:6081 152.99622:108326 158.68066:7246 211.20383:7743 225.18587:148040 249.18555:26634 251.19957:35918 253.21648:33461 277.21698:16915 279.23502:17680 303.23361:34816 361.17355:12827 366.34293:19121 379.19125:10148 403.1937:10774 466.59857:10226"},{"Metabolite":"PA 35:3|PA 17:1_18:2","Alignment ID":"2093","Average Rt(min)":"10.268","Average Mz":"683.4657","Adduct type":"[M-H]-","Fill %":"0.862","MS/MS assigned":"TRUE","Reference RT":"8.37","Reference m/z":"683.4657","Formula":"C38H69O8P","Ontology":"PA","INCHIKEY":"ABRCHFUQHPPSAP-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)O)CCCCCCCC=CCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"74.8","Reverse dot product":"66.4","Fragment presence %":"100","S/N average":"140.53","Spectrum reference file name":"210226_Hamze_MM-1835_024n","MS1 isotopic spectrum":"683.46594:1266804 684.46929:581731 685.47265:340490","MS/MS spectrum":"100.70206:5115 119.06078:5505 128.05136:8551 132.87421:8945 143.77737:6943 148.89684:10471 148.9183:23838 152.9942:76230 178.66182:8243 265.21704:12337 267.23184:213461 279.23505:89647 403.22852:23128 415.22632:9997 421.2413:17743 421.71512:11186 623.56311:20965"},{"Metabolite":"PA 36:1|PA 18:0_18:1","Alignment ID":"2278","Average Rt(min)":"11.134","Average Mz":"701.51202","Adduct type":"[M-H]-","Fill %":"0.924","MS/MS assigned":"TRUE","Reference RT":"9.73","Reference m/z":"701.5127","Formula":"C39H75O8P","Ontology":"PA","INCHIKEY":"HHMKVXGZZUOMHM-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)O)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"93.2","Reverse dot product":"75.2","Fragment presence %":"100","S/N average":"2955.22","Spectrum reference file name":"210226_Hamze_MM-1835_129n","MS1 isotopic spectrum":"701.51184:18852840 702.51519:8759717 703.51855:2597290","MS/MS spectrum":"96.96928:94279 134.98425:80662 150.98042:14504 152.99623:5126429 168.04225:27913 171.00684:127407 255.23154:19569 278.10126:14392 281.24985:5168288 282.25018:27852 283.26608:14750920 284.26691:19082 288.57089:12300 309.28128:23345 330.0842:11953 417.24133:253951 419.25259:1511082 435.25491:94854 437.27032:1316646 701.52478:125752"},{"Metabolite":"PA 36:2|PA 18:1_18:1","Alignment ID":"2255","Average Rt(min)":"11.153","Average Mz":"699.49573","Adduct type":"[M-H]-","Fill %":"0.89","MS/MS assigned":"TRUE","Reference RT":"8.77","Reference m/z":"699.49701","Formula":"C39H73O8P","Ontology":"PA","INCHIKEY":"MHUWZNTUIIFHAS-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)O)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"98.9","Reverse dot product":"70.1","Fragment presence %":"100","S/N average":"732.51","Spectrum reference file name":"210226_Hamze_MM-1835_021n","MS1 isotopic spectrum":"699.49646:19805850 700.49981:9296265 701.50317:15448096","MS/MS spectrum":"96.9693:23220 108.38998:6174 134.44539:7267 151.83057:7086 152.99626:690976 171.00688:17422 255.2316:38432 271.14871:9634 279.23511:18587 280.23981:15142 281.24994:2667864 298.12851:9860 417.24142:266689 435.255:209516 615.77911:10873 699.49445:19212"},{"Metabolite":"PA 36:3|PA 18:1_18:2","Alignment ID":"2235","Average Rt(min)":"10.535","Average Mz":"697.48126","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"8.45","Reference m/z":"697.48138","Formula":"C39H71O8P","Ontology":"PA","INCHIKEY":"MVSJLGUSXDKOAR-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)O)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"98.8","Reverse dot product":"80.4","Fragment presence %":"100","S/N average":"2790.56","Spectrum reference file name":"210226_Hamze_MM-1835_128n","MS1 isotopic spectrum":"697.48138:30960478 698.48473:21462436 699.48809:10718082","MS/MS spectrum":"96.96926:33899 130.09651:7226 134.98424:20017 141.54541:7310 152.99622:1197693 171.00682:24510 249.09265:9037 255.23151:12752 256.23264:11146 279.23499:2089397 281.24982:2503197 283.26605:9568 318.89618:8303 390.94537:9608 415.22626:203560 417.24127:258291 426.6015:8817 433.23395:150282 435.25482:179971 697.49225:21671"},{"Metabolite":"PA 36:4|PA 18:2_18:2","Alignment ID":"2213","Average Rt(min)":"9.991","Average Mz":"695.46619","Adduct type":"[M-H]-","Fill %":"0.614","MS/MS assigned":"TRUE","Reference RT":"8.2","Reference m/z":"695.4657","Formula":"C39H69O8P","Ontology":"PA","INCHIKEY":"OBXRDFNCKFWKNY-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)O)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"68.7","Reverse dot product":"70.6","Fragment presence %":"100","S/N average":"1324.47","Spectrum reference file name":"210226_Hamze_MM-1835_122n","MS1 isotopic spectrum":"695.46552:16332859 696.46887:9292841 697.47223:1755068","MS/MS spectrum":"96.96919:20551 123.41854:7755 134.98582:9839 152.99609:815078 171.00668:18830 178.24701:56254 193.03593:12570 253.21628:41439 255.23131:154316 277.21677:550419 279.23477:1959057 281.2496:319952 303.23337:28004 305.25037:13480 308.13373:11537 323.61914:8875 391.22742:15380 407.22192:10748 409.24109:13610 413.20746:47833 415.22595:151857 417.24094:16830 431.22678:31153 433.23361:115498 435.25449:11988 560.5083:9685 695.45905:17556"},{"Metabolite":"PA 36:5|PA 16:1_20:4","Alignment ID":"2190","Average Rt(min)":"9.908","Average Mz":"693.4502","Adduct type":"[M-H]-","Fill %":"0.883","MS/MS assigned":"TRUE","Reference RT":"8.47","Reference m/z":"693.45007","Formula":"C39H67O8P","Ontology":"PA","INCHIKEY":"DXOQPODYOQFBOM-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCC=CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"56.4","Reverse dot product":"80.6","Fragment presence %":"100","S/N average":"769.67","Spectrum reference file name":"210226_Hamze_MM-1835_011n","MS1 isotopic spectrum":"693.44983:6125868 694.45318:3504321 695.45654:0","MS/MS spectrum":"134.9859:8612 140.91467:7094 142.29146:7679 152.99619:403967 171.00679:30876 193.30125:8498 227.20204:598201 242.04066:8443 253.21645:960162 255.23148:284497 259.24469:20784 279.22995:20360 303.23355:209530 389.20825:86440 391.22766:18222 407.22217:75937 457.24036:11818 483.27597:12436 574.75171:9454 693.47485:65200"},{"Metabolite":"PA 36:5|PA 18:2_18:3","Alignment ID":"2189","Average Rt(min)":"9.757","Average Mz":"693.44983","Adduct type":"[M-H]-","Fill %":"0.772","MS/MS assigned":"TRUE","Reference RT":"8.39","Reference m/z":"693.45007","Formula":"C39H67O8P","Ontology":"PA","INCHIKEY":"AQTVREATJUABJU-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"92.4","Reverse dot product":"77.5","Fragment presence %":"100","S/N average":"949.02","Spectrum reference file name":"210226_Hamze_MM-1835_035n","MS1 isotopic spectrum":"693.44952:6792120 694.45287:4712283 695.45623:1027823","MS/MS spectrum":"96.96929:12391 152.99626:481408 184.47687:7425 232.96858:8870 255.23158:32484 265.56525:9202 270.53613:9021 277.21707:1287290 279.23508:562412 292.66141:11223 357.08896:11167 413.20792:140836 415.22638:33429 431.21762:101409 433.2341:15995 557.03442:9580 693.43597:12388"},{"Metabolite":"PA 36:6|PA 16:2_20:4","Alignment ID":"2170","Average Rt(min)":"9.721","Average Mz":"691.43475","Adduct type":"[M-H]-","Fill %":"0.71","MS/MS assigned":"TRUE","Reference RT":"8.23","Reference m/z":"691.43439","Formula":"C39H65O8P","Ontology":"PA","INCHIKEY":"JBDUXLWVKXXXPL-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCC=CCC=CCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"99.8","RT similarity":"100","Dot product":"47.9","Reverse dot product":"50.2","Fragment presence %":"100","S/N average":"223.41","Spectrum reference file name":"210226_Hamze_MM-1835_122n","MS1 isotopic spectrum":"691.43433:849278 692.43768:0 693.44104:3047631","MS/MS spectrum":"152.70392:6684 152.99609:75693 159.66808:7315 173.89275:7542 178.27:34701 183.16547:7185 251.20366:91696 253.21628:21465 277.21677:32678 303.23337:18015 387.19598:11663 672.08099:9501"},{"Metabolite":"PA 37:4|PA 17:0_20:4","Alignment ID":"2354","Average Rt(min)":"10.268","Average Mz":"709.48224","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"8.62","Reference m/z":"709.48138","Formula":"C40H71O8P","Ontology":"PA","INCHIKEY":"PKXVAYFRZVYIJD-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"88.5","Reverse dot product":"68.7","Fragment presence %":"100","S/N average":"846.71","Spectrum reference file name":"210226_Hamze_MM-1835_001n","MS1 isotopic spectrum":"709.48059:2156039 710.48394:2772735 711.4873:1232984","MS/MS spectrum":"96.96932:20480 134.98433:15773 140.72997:7268 152.99631:985258 153.70177:8869 171.00693:28852 182.63457:9419 196.9476:8054 205.1956:11071 226.70296:8155 258.7392:8422 259.24487:38389 269.24609:2744146 277.18246:19140 303.2338:609029 405.24451:249267 415.172:9471 423.25375:262089 439.22092:18941 457.24069:12234 476.76111:9233 607.40021:13466 709.49255:12335"},{"Metabolite":"PA 38:2|PA 18:1_20:1","Alignment ID":"2545","Average Rt(min)":"11.19","Average Mz":"727.52661","Adduct type":"[M-H]-","Fill %":"0.593","MS/MS assigned":"TRUE","Reference RT":"10.66","Reference m/z":"727.52832","Formula":"C41H77O8P","Ontology":"PA","INCHIKEY":"OMPOTTJARNULEB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCCCCCCCC)COP(=O)(O)O)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"77.3","Reverse dot product":"71.7","Fragment presence %":"100","S/N average":"1218.4","Spectrum reference file name":"210226_Hamze_MM-1835_015n","MS1 isotopic spectrum":"727.52734:25712706 728.53069:21686680 729.53405:0","MS/MS spectrum":"96.96928:24737 116.03429:19504 125.00006:129169 152.99623:916607 153.99879:18503 155.00089:18746 158.0452:15164 171.00444:20739 178.27272:29975 181.02602:121750 196.03667:20382 199.03836:15803 241.21805:26205 242.21873:13840 253.21652:78951 254.22322:29319 255.23155:79016 262.09149:15605 265.21707:34353 266.22159:24547 267.23184:90410 268.23843:58630 277.21704:20065 278.22079:18598 279.23505:262525 280.23471:179669 281.24988:8351935 282.25018:24423 283.26611:310846 284.26691:253591 285.27304:113711 305.25067:117904 306.08264:80329 306.24945:128588 307.08554:19871 307.26474:179523 309.28128:1968796 337.3093:72747 364.35605:33167 365.35873:22171 417.24133:38222 419.25259:12926 420.25906:16010 421.25989:14848 424.14316:46847 435.25491:24137 438.27344:23923 445.27182:190217 463.28345:275207 689.22028:28861 690.23163:21948 727.54346:74601"},{"Metabolite":"PA 38:3|PA 18:0_20:3","Alignment ID":"2523","Average Rt(min)":"10.572","Average Mz":"725.51129","Adduct type":"[M-H]-","Fill %":"0.821","MS/MS assigned":"TRUE","Reference RT":"9.47","Reference m/z":"725.5127","Formula":"C41H75O8P","Ontology":"PA","INCHIKEY":"KGDFLTPILJIQMX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"92","Reverse dot product":"73.6","Fragment presence %":"100","S/N average":"1166.09","Spectrum reference file name":"210226_Hamze_MM-1835_069n","MS1 isotopic spectrum":"725.51324:21108490 726.51659:11623397 727.51995:3901170","MS/MS spectrum":"96.96927:41286 134.98425:25348 152.99622:2011616 153.99878:9677 171.00682:54835 178.2446:13642 188.05771:9322 281.24985:13265 283.26605:5580538 284.26688:42505 285.26782:25314 303.23361:22562 304.23392:24160 305.25061:1804917 419.25256:516946 437.27029:456691 441.24384:74055 459.25211:27904 725.52484:40291"},{"Metabolite":"PA 38:4|PA 18:0_20:4","Alignment ID":"2505","Average Rt(min)":"10.536","Average Mz":"723.49597","Adduct type":"[M-H]-","Fill %":"0.966","MS/MS assigned":"TRUE","Reference RT":"8.95","Reference m/z":"723.49701","Formula":"C41H73O8P","Ontology":"PA","INCHIKEY":"QVHGUOQONXZCIX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"89.7","Reverse dot product":"69.9","Fragment presence %":"100","S/N average":"10282.44","Spectrum reference file name":"210226_Hamze_MM-1835_049n","MS1 isotopic spectrum":"723.49768:68703072 724.50103:48258372 725.50439:12380062","MS/MS spectrum":"96.96919:37504 134.98415:19741 152.99611:1786446 171.0067:45180 178.27513:19182 181.02847:14454 205.19534:18492 255.23132:132800 259.24454:110116 282.24994:13413 283.26584:4980110 284.26666:10278 290.14554:10184 303.2334:1360787 399.25864:9610 419.25223:413365 437.26996:436826 439.23022:27342 457.24008:19014 723.49329:20948"},{"Metabolite":"PA 38:5|PA 18:1_20:4","Alignment ID":"2483","Average Rt(min)":"10.056","Average Mz":"721.48071","Adduct type":"[M-H]-","Fill %":"0.855","MS/MS assigned":"TRUE","Reference RT":"8.69","Reference m/z":"721.48138","Formula":"C41H71O8P","Ontology":"PA","INCHIKEY":"DHDOIVUOVHPADT-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"FALSE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"84.1","Reverse dot product":"70.6","Fragment presence %":"100","S/N average":"853.03","Spectrum reference file name":"210226_Hamze_MM-1835_017n","MS1 isotopic spectrum":"721.48077:5575280 722.48412:5347256 723.48748:938303","MS/MS spectrum":"96.96928:64921 123.01189:30335 134.98427:39657 152.99625:2664558 171.00687:84282 205.19553:15796 253.21654:90985 254.21889:67225 255.23157:604309 256.23709:42783 257.23972:21077 259.24478:118982 279.23508:37741 280.23474:30497 281.24988:7218327 282.25021:12301 303.23367:1573926 329.24875:47112 389.28259:11877 391.22781:20055 409.2326:12381 417.24136:619697 435.25494:548823 439.23062:49565 457.24051:27255 721.49225:55564"},{"Metabolite":"PA 38:7|PA 18:3_20:4","Alignment ID":"2430","Average Rt(min)":"9.808","Average Mz":"717.448","Adduct type":"[M-H]-","Fill %":"0.959","MS/MS assigned":"TRUE","Reference RT":"8.35","Reference m/z":"717.45007","Formula":"C41H67O8P","Ontology":"PA","INCHIKEY":"ASFQCMYWUFLWPN-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"51.7","Reverse dot product":"74.8","Fragment presence %":"100","S/N average":"245.26","Spectrum reference file name":"210226_Hamze_MM-1835_067n","MS1 isotopic spectrum":"717.44843:2270468 718.45178:1700057 719.45514:646515","MS/MS spectrum":"101.52846:5960 127.39576:6493 152.99419:223118 166.89044:7370 236.10376:8870 236.8456:8531 255.23151:11375 264.92508:8470 277.21698:513769 279.22998:50799 301.21967:11551 303.23358:139067 311.2941:213230 413.20779:42338 430.54526:8911 431.2175:35414 439.22064:9170 483.34448:11657 516.68225:9598 585.18878:12387 717.43097:9767 717.59607:22591"},{"Metabolite":"PA 39:4|PA 19:0_20:4","Alignment ID":"2658","Average Rt(min)":"10.94","Average Mz":"737.51428","Adduct type":"[M-H]-","Fill %":"0.586","MS/MS assigned":"TRUE","Reference RT":"10.06","Reference m/z":"737.5127","Formula":"C42H75O8P","Ontology":"PA","INCHIKEY":"LZJXXLSUUMKTPH-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"87.9","Reverse dot product":"70.7","Fragment presence %":"100","S/N average":"563.24","Spectrum reference file name":"210226_Hamze_MM-1835_028n","MS1 isotopic spectrum":"737.5127:2411939 738.51605:26291838 739.51941:15251153","MS/MS spectrum":"96.96927:29108 134.98425:14666 152.99622:1092048 155.34953:8386 171.00684:31684 178.24715:54475 184.20808:7754 203.1563:7710 205.1955:16360 211.59656:8527 252.25018:9590 254.21884:10638 255.23152:17622 259.24475:62271 277.21701:9842 279.23502:13047 283.26608:51344 297.27908:3093849 303.23361:722618 304.23962:13941 387.00006:11148 433.27271:255380 439.22067:24435 451.28406:236851 457.24042:14276 472.91696:10220 564.69244:9279 737.50531:18706"},{"Metabolite":"PA 39:6|PA 17:0_22:6","Alignment ID":"2603","Average Rt(min)":"10.901","Average Mz":"733.48254","Adduct type":"[M-H]-","Fill %":"0.924","MS/MS assigned":"TRUE","Reference RT":"8.71","Reference m/z":"733.48138","Formula":"C42H71O8P","Ontology":"PA","INCHIKEY":"HXYAYFNZETVUAI-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"95.7","RT similarity":"100","Dot product":"6.3","Reverse dot product":"54.1","Fragment presence %":"100","S/N average":"87.78","Spectrum reference file name":"210226_Hamze_MM-1835_143n","MS1 isotopic spectrum":"733.47992:2244310 734.48327:1584892 735.48663:0","MS/MS spectrum":"105.55693:4928 116.14699:5091 148.9279:11102 152.99405:8048 168.04208:29546 178.24443:13018 242.38857:8359 255.23129:20442 267.2691:101110 269.25043:9305 283.24533:14163 319.45917:9840 327.23071:24266 328.23724:18041 358.52737:10859 389.47192:11430 403.26291:222871 421.26874:48746 421.41733:9567 423.27185:9969 733.58508:32837"},{"Metabolite":"PA 40:6|PA 18:0_22:6","Alignment ID":"2748","Average Rt(min)":"10.374","Average Mz":"747.49738","Adduct type":"[M-H]-","Fill %":"0.614","MS/MS assigned":"TRUE","Reference RT":"9","Reference m/z":"747.49701","Formula":"C43H73O8P","Ontology":"PA","INCHIKEY":"SFHGEOGVGJYLEK-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"46.2","Reverse dot product":"77.6","Fragment presence %":"100","S/N average":"10361.04","Spectrum reference file name":"210226_Hamze_MM-1835_092n","MS1 isotopic spectrum":"747.49719:44888536 748.50054:61223952 749.5039:14545357","MS/MS spectrum":"134.9859:120647 152.99619:8389037 168.04454:40163 171.00679:647988 177.16612:37671 178.27522:18568 191.18065:25784 209.02269:82430 227.03297:203489 229.19699:134094 249.1855:36595 255.1833:40654 255.23146:6579704 278.09619:19106 281.24979:19295866 283.26599:20898300 327.23096:1678489 391.22766:479000 409.24133:32464 417.24118:75416 419.26169:1601857 437.27017:1579902 463.22974:106168 465.25949:397888 481.24054:47816 483.27597:762464 491.27905:165574 509.28485:84283 673.52399:214426 747.51953:2270408"},{"Metabolite":"PA 40:8|PA 20:4_20:4","Alignment ID":"2706","Average Rt(min)":"9.643","Average Mz":"743.45929","Adduct type":"[M-H]-","Fill %":"0.724","MS/MS assigned":"TRUE","Reference RT":"8.37","Reference m/z":"743.4657","Formula":"C43H69O8P","Ontology":"PA","INCHIKEY":"ZZJHFZGBYCOAKS-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)O)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"69.5","Reverse dot product":"69","Fragment presence %":"100","S/N average":"66.14","Spectrum reference file name":"210226_Hamze_MM-1835_066n","MS1 isotopic spectrum":"743.45911:916429 744.46246:974378 745.46582:271728","MS/MS spectrum":"96.96926:47803 134.98424:23982 152.9962:1808990 171.00681:46941 178.27013:19115 205.19547:78220 251.19955:757224 253.21646:105277 255.23149:43467 259.24472:330049 277.21695:68704 279.23499:240008 281.24982:808097 285.22125:17613 303.23358:4066776 327.23099:13229 439.22061:154318 457.24039:185690 743.47644:32223"},{"Metabolite":"PC 35:1|PC 17:0_18:1","Alignment ID":"3483","Average Rt(min)":"12.131","Average Mz":"832.6076","Adduct type":"[M+CH3COO]-","Fill %":"0.641","MS/MS assigned":"TRUE","Reference RT":"10.29","Reference m/z":"832.6073","Formula":"C43H84NO8P","Ontology":"PC","INCHIKEY":"SXNXGNVZTLZDHE-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3311","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"37.8","Reverse dot product":"58.6","Fragment presence %":"100","S/N average":"4104.27","Spectrum reference file name":"210226_Hamze_MM-1835_061n","MS1 isotopic spectrum":"832.60516:27335650 833.60851:25264974 834.61187:8044612","MS/MS spectrum":"133.7518:6499 168.04228:32470 174.83479:8208 178.24464:27905 196.31105:7565 224.069:15806 242.8311:8824 253.21657:11926 255.23158:54591 267.2319:76113 269.246:124505 279.2301:27324 280.23474:23180 281.24991:350721 283.26102:33364 295.26425:100643 297.27917:27775 326.31149:9579 331.26575:37050 338.54321:9200 494.32147:16820 643.62903:8862 758.56866:37737 832.65741:15395"},{"Metabolite":"PC 35:2|PC 17:1_18:1","Alignment ID":"3465","Average Rt(min)":"11.468","Average Mz":"830.59174","Adduct type":"[M+CH3COO]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"9.6","Reference m/z":"830.59167","Formula":"C43H82NO8P","Ontology":"PC","INCHIKEY":"CWDLNVPVXRALIK-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3311","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"32.6","Reverse dot product":"64.3","Fragment presence %":"100","S/N average":"2518.27","Spectrum reference file name":"210226_Hamze_MM-1835_058n","MS1 isotopic spectrum":"830.58905:49469392 831.5924:46585956 832.59576:13353183","MS/MS spectrum":"152.9942:16030 168.04225:104164 178.24716:91090 224.06895:84515 253.21651:24158 255.23152:131571 256.23706:75530 257.23969:16771 267.23184:879270 269.24594:558944 279.23001:1741560 280.23468:42363 281.24985:1501422 282.25018:15374 283.24048:14879 295.26416:67105 305.25064:285500 306.24942:303590 307.25314:70835 309.28125:53590 310.28232:40418 327.23105:23797 337.3093:14760 338.31592:11940 351.14349:9953 474.30029:12217 476.31409:30844 480.31256:17573 488.32294:15175 492.30966:65442 494.32135:91266 506.32401:28906 653.5603:10637 659.53894:9256 756.55365:183793 770.57581:15104"},{"Metabolite":"PC 36:1|PC 18:0_18:1","Alignment ID":"3598","Average Rt(min)":"12.562","Average Mz":"846.62122","Adduct type":"[M+CH3COO]-","Fill %":"0.593","MS/MS assigned":"TRUE","Reference RT":"10.67","Reference m/z":"846.62299","Formula":"C44H86NO8P","Ontology":"PC","INCHIKEY":"ATHVAWFAEPLPPQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3311","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"38.4","Reverse dot product":"64.3","Fragment presence %":"100","S/N average":"46841.64","Spectrum reference file name":"210226_Hamze_MM-1835_098n","MS1 isotopic spectrum":"846.62384:872216832 847.62719:779673216 848.63055:240002144","MS/MS spectrum":"152.99615:16177 168.04218:231468 169.04533:12123 178.27263:26927 224.06885:148996 229.19322:14536 255.23141:1715723 267.23172:22799 279.23489:85813 280.23456:80298 281.24973:3902906 282.25003:20873 283.26596:1388205 284.26675:21595 305.25049:42920 309.2811:3641068 311.29398:132310 327.2309:48236 462.29974:38074 480.31235:145244 488.32272:14875 490.33331:37458 506.32376:26466 508.33591:163273 534.36102:30417 536.36932:12394 769.63464:10462 771.633:38605 772.60052:474672"},{"Metabolite":"PC 36:3|PC 18:1_18:2","Alignment ID":"3557","Average Rt(min)":"11.334","Average Mz":"842.58936","Adduct type":"[M+CH3COO]-","Fill %":"0.848","MS/MS assigned":"TRUE","Reference RT":"9.33","Reference m/z":"842.59167","Formula":"C44H82NO8P","Ontology":"PC","INCHIKEY":"GDWULUGDXGHJIJ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3311","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"97.2","RT similarity":"100","Dot product":"23","Reverse dot product":"74.3","Fragment presence %":"100","S/N average":"56886.48","Spectrum reference file name":"210226_Hamze_MM-1835_blank1n","MS1 isotopic spectrum":"842.59174:5748898 843.59509:5373408 844.59845:1486379","MS/MS spectrum":"90.95866:4133 99.58305:5888 105.63975:5098 106.85912:5491 117.09499:6079 137.19672:7149 144.75223:7808 160.42691:8074 162.31088:7144 168.04224:10478 255.23152:56710 279.23001:33248 281.24985:17029 305.25064:156326 362.3334:11293 654.15265:10326 768.55865:16422"},{"Metabolite":"PC 37:1|PC 18:0_19:1","Alignment ID":"3722","Average Rt(min)":"13.07","Average Mz":"860.63794","Adduct type":"[M+CH3COO]-","Fill %":"0.676","MS/MS assigned":"TRUE","Reference RT":"11.4","Reference m/z":"860.63861","Formula":"C45H88NO8P","Ontology":"PC","INCHIKEY":"FJZPGDCOKAUAQA-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3311","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"38.9","Reverse dot product":"65.9","Fragment presence %":"100","S/N average":"421.5","Spectrum reference file name":"210226_Hamze_MM-1835_075n","MS1 isotopic spectrum":"860.63739:7308172 861.64074:6633522 862.6441:1987589","MS/MS spectrum":"101.87862:5930 103.63893:5348 168.04216:24025 228.49443:8028 242.51433:8330 246.37553:8110 255.2314:12510 269.25055:25981 279.23489:16502 281.24969:174586 283.26593:75909 292.44629:8871 294.25882:9159 295.26404:218706 297.27896:59605 309.2811:63320 323.29446:10230 508.34818:11842 784.63696:12253 786.62299:44741 802.51764:10007"},{"Metabolite":"PC 38:1|PC 18:0_20:1","Alignment ID":"3835","Average Rt(min)":"13.517","Average Mz":"874.65271","Adduct type":"[M+CH3COO]-","Fill %":"0.628","MS/MS assigned":"TRUE","Reference RT":"11.97","Reference m/z":"874.6543","Formula":"C46H90NO8P","Ontology":"PC","INCHIKEY":"PDGHHNMEFVJAAM-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3311","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"56.1","Reverse dot product":"67.2","Fragment presence %":"100","S/N average":"3027.53","Spectrum reference file name":"210226_Hamze_MM-1835_137n","MS1 isotopic spectrum":"874.6532:33267240 875.65655:34921052 876.65991:10412558","MS/MS spectrum":"168.04225:267426 169.04543:16870 170.04808:20398 178.24461:17686 224.06897:114845 229.19707:12738 242.08116:9067 255.23154:372436 279.23505:13841 280.23471:15218 281.24988:960650 283.26608:1536000 307.26471:10930 307.65256:9900 309.28128:4494482 311.29416:412527 327.23105:87544 337.3093:385557 339.327:180736 368.36139:9436 480.31259:16600 490.33356:47485 508.33615:182302 516.34204:23979 534.36133:20993 536.36963:37425 544.38074:11235 562.39429:15113 564.40448:11439 797.65839:90382 798.651:48696 799.6698:76914 800.64185:692065"},{"Metabolite":"PC 38:2|PC 18:1_20:1","Alignment ID":"3819","Average Rt(min)":"12.815","Average Mz":"872.63666","Adduct type":"[M+CH3COO]-","Fill %":"0.579","MS/MS assigned":"TRUE","Reference RT":"11.03","Reference m/z":"872.63861","Formula":"C46H88NO8P","Ontology":"PC","INCHIKEY":"JLDQDLKBBDQYDE-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3311","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"63.2","Reverse dot product":"62.9","Fragment presence %":"100","S/N average":"5208.76","Spectrum reference file name":"210226_Hamze_MM-1835_097n","MS1 isotopic spectrum":"872.63904:119535944 873.64239:100823936 874.64575:30948050","MS/MS spectrum":"152.99413:14139 168.04218:170033 169.04535:14456 178.27264:22481 224.06886:61972 279.23492:28875 281.24973:2825312 283.26596:76077 284.26678:19165 305.25052:61839 306.2493:73181 307.26459:178546 309.28113:2030825 327.2309:34282 337.30914:104031 488.31116:21580 506.32379:56556 516.3418:24136 534.36102:111266 795.63007:16685 796.64307:22123 797.65802:43058 798.6264:333944"},{"Metabolite":"PC 38:4|PC 18:1_20:3","Alignment ID":"3783","Average Rt(min)":"12.79","Average Mz":"868.61115","Adduct type":"[M+CH3COO]-","Fill %":"0.6","MS/MS assigned":"TRUE","Reference RT":"9.67","Reference m/z":"868.6073","Formula":"C46H84NO8P","Ontology":"PC","INCHIKEY":"JNKAOGSDBBXHEP-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3311","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"90.8","RT similarity":"100","Dot product":"20.7","Reverse dot product":"78.3","Fragment presence %":"100","S/N average":"668.8","Spectrum reference file name":"210226_Hamze_MM-1835_052n","MS1 isotopic spectrum":"868.61267:4242850 869.61602:4557402 870.61938:4386973","MS/MS spectrum":"112.9849:19380 140.99551:7153 145.03496:7430 168.04219:8368 172.29132:7905 206.12009:8544 281.24976:10886 283.26599:58238 303.23355:98694 305.25055:11064 315.89691:8513 794.57098:11294"},{"Metabolite":"PC 38:5|PC 16:0_22:5","Alignment ID":"3763","Average Rt(min)":"11.142","Average Mz":"866.59015","Adduct type":"[M+CH3COO]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"9.18","Reference m/z":"866.59167","Formula":"C46H82NO8P","Ontology":"PC","INCHIKEY":"ARDJUHDXABDVFH-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3311","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"24.7","Reverse dot product":"73.2","Fragment presence %":"100","S/N average":"49991.25","Spectrum reference file name":"210226_Hamze_MM-1835_130n","MS1 isotopic spectrum":"866.59015:824643328 867.5935:761526208 868.59686:268665888","MS/MS spectrum":"111.22881:6024 121.61327:6663 142.9095:6790 149.67632:8381 152.99422:29308 168.04227:47068 178.24208:21132 193.65384:8296 195.52196:7355 210.06821:8239 224.06898:33184 229.19336:14312 230.20256:10192 231.21466:8392 241.00903:11945 253.21654:14483 255.23157:185889 256.02585:8682 256.23709:87884 257.23972:22176 259.2403:17976 267.77209:9569 277.21704:9280 279.23007:156524 281.24988:150549 282.25021:20098 283.24054:35204 284.24634:35797 285.24719:12352 303.23367:302178 305.25067:321819 327.23108:83084 328.23758:77114 329.24875:178881 331.26572:32600 385.93152:9521 480.31262:23924 481.3201:15410 504.29962:11649 506.32407:22928 612.7876:10111 792.55518:38437 866.57709:82112"},{"Metabolite":"PC 39:1|PC 18:0_21:1","Alignment ID":"3961","Average Rt(min)":"13.99","Average Mz":"888.66852","Adduct type":"[M+CH3COO]-","Fill %":"0.524","MS/MS assigned":"TRUE","Reference RT":"12.54","Reference m/z":"888.66992","Formula":"C47H92NO8P","Ontology":"PC","INCHIKEY":"MRFAKJKZGGILDF-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3311","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"97.5","RT similarity":"100","Dot product":"23.9","Reverse dot product":"76.3","Fragment presence %":"100","S/N average":"155.49","Spectrum reference file name":"210226_Hamze_MM-1835_047n","MS1 isotopic spectrum":"888.67059:1092279 889.67394:1100054 890.6773:427041","MS/MS spectrum":"108.67273:5131 112.08379:5885 113.61676:5742 168.04214:15309 170.96112:8542 178.27005:58680 234.63423:7966 234.76936:9347 255.23137:18629 281.24966:96772 283.26077:27958 297.2789:29821 305.25046:11448 309.28107:74616 323.29443:41680 325.31354:39853 351.32703:10144 493.19016:10207 785.65259:16026 814.63824:26823 888.59802:9362"},{"Metabolite":"PC 39:2|PC 19:0_20:2","Alignment ID":"3935","Average Rt(min)":"13.21","Average Mz":"886.65442","Adduct type":"[M+CH3COO]-","Fill %":"0.621","MS/MS assigned":"TRUE","Reference RT":"11.74","Reference m/z":"886.6543","Formula":"C47H90NO8P","Ontology":"PC","INCHIKEY":"GSSCPDJDZVDTGX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3311","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"27.1","Reverse dot product":"60.9","Fragment presence %":"100","S/N average":"511.07","Spectrum reference file name":"210226_Hamze_MM-1835_082n","MS1 isotopic spectrum":"886.65479:6287984 887.65814:5924857 888.6615:1885826","MS/MS spectrum":"90.43743:5502 128.99622:6345 144.74284:7451 178.27521:7410 207.7662:8376 224.07248:9418 226.3221:8495 241.01294:13483 243.12376:9453 279.23495:33006 280.23459:10083 281.24976:35388 283.26599:19376 295.26407:25793 297.27899:38103 303.23352:15793 304.23953:12601 305.25055:20035 306.24933:24940 307.26462:150072 309.28116:17322 323.29453:39838 361.12189:10794 368.13364:9770 522.35248:9599 582.32654:12677 722.47089:9784 734.33276:10622 812.62018:19562 886.55414:21846"},{"Metabolite":"PC 39:5|PC 19:0_20:5","Alignment ID":"3886","Average Rt(min)":"11.839","Average Mz":"880.60645","Adduct type":"[M+CH3COO]-","Fill %":"0.924","MS/MS assigned":"TRUE","Reference RT":"9.57","Reference m/z":"880.6073","Formula":"C47H84NO8P","Ontology":"PC","INCHIKEY":"YTUVRFVITPTFSM-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3311","Manually modified for quantification":"FALSE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"95.6","RT similarity":"100","Dot product":"19.8","Reverse dot product":"69.8","Fragment presence %":"100","S/N average":"164.98","Spectrum reference file name":"210226_Hamze_MM-1835_003n","MS1 isotopic spectrum":"880.6062:5066176 881.60955:5398068 882.61291:1961972","MS/MS spectrum":"105.73186:5579 107.08122:5935 128.19144:6264 138.26399:7364 143.26962:7600 146.48795:7635 153.39111:7077 178.24454:20926 224.67873:8433 236.18552:10278 269.25061:26950 283.26599:14580 285.25742:11710 297.27899:25292 301.21399:22760 303.23352:28965 305.25052:11231 329.2486:44824 331.26556:13366 354.61658:9257 537.94666:9684 625.15411:10043 806.58514:9381"},{"Metabolite":"PC 40:4|PC 20:0_20:4","Alignment ID":"4032","Average Rt(min)":"12.76","Average Mz":"896.6391","Adduct type":"[M+CH3COO]-","Fill %":"0.641","MS/MS assigned":"TRUE","Reference RT":"10.85","Reference m/z":"896.63861","Formula":"C48H88NO8P","Ontology":"PC","INCHIKEY":"DDIJTWRVGORCFN-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3311","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"34.8","Reverse dot product":"60.8","Fragment presence %":"100","S/N average":"3637.06","Spectrum reference file name":"210226_Hamze_MM-1835_068n","MS1 isotopic spectrum":"896.63593:20583204 897.63928:18632300 898.64264:5556196","MS/MS spectrum":"121.08363:5922 156.0253:7042 168.04224:14875 219.98071:8456 224.06892:15227 239.01682:8395 259.24023:13222 283.26093:67979 284.53979:9677 303.23361:148263 305.24487:11899 311.2941:69445 311.42389:8267 328.28223:8771 331.26566:181468 536.38287:12239 822.61053:19258"},{"Metabolite":"PC 40:5|PC 18:0_22:5","Alignment ID":"4011","Average Rt(min)":"12.204","Average Mz":"894.62372","Adduct type":"[M+CH3COO]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"9.92","Reference m/z":"894.62299","Formula":"C48H86NO8P","Ontology":"PC","INCHIKEY":"MAAMGQXOTCBPFS-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3311","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"96.8","RT similarity":"100","Dot product":"38.4","Reverse dot product":"55.2","Fragment presence %":"100","S/N average":"2338.23","Spectrum reference file name":"210226_Hamze_MM-1835_095n","MS1 isotopic spectrum":"894.62061:44805696 895.62396:38944024 896.62732:17470102","MS/MS spectrum":"109.49847:6717 168.04218:18772 283.26596:92191 284.24619:12276 285.25739:24620 297.27896:10671 298.28311:11958 301.21957:11144 303.23349:78214 309.28113:27392 329.24857:115787 508.33591:10825 524.84802:9044 820.58746:12447"},{"Metabolite":"PC 40:6|PC 18:1_22:5","Alignment ID":"3997","Average Rt(min)":"11.625","Average Mz":"892.60565","Adduct type":"[M+CH3COO]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"9.33","Reference m/z":"892.6073","Formula":"C48H84NO8P","Ontology":"PC","INCHIKEY":"LQILTFYUCKNMSR-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3311","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"34.3","Reverse dot product":"70.5","Fragment presence %":"100","S/N average":"76307.75","Spectrum reference file name":"210226_Hamze_MM-1835_005n","MS1 isotopic spectrum":"892.60651:282334336 893.60986:261129824 894.61322:79961352","MS/MS spectrum":"97.68882:4219 98.8709:4662 104.96329:4535 112.9011:5173 152.99411:9089 168.04214:21874 197.19095:8571 224.07242:16464 229.19319:13296 231.21072:8220 236.27902:9546 281.24969:109109 283.2659:152524 285.25732:60397 303.23346:46863 307.26453:21355 327.23083:136408 329.2485:181148 506.3237:23629 508.33582:36270 818.57196:24824 892.62177:11525"},{"Metabolite":"PC 41:6|PC 19:0_22:6","Alignment ID":"4117","Average Rt(min)":"11.929","Average Mz":"906.62","Adduct type":"[M+CH3COO]-","Fill %":"0.641","MS/MS assigned":"TRUE","Reference RT":"10.2","Reference m/z":"906.62299","Formula":"C49H86NO8P","Ontology":"PC","INCHIKEY":"MCBZZOAHAMROOU-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3311","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"99.4","RT similarity":"100","Dot product":"26.9","Reverse dot product":"55.2","Fragment presence %":"100","S/N average":"102.42","Spectrum reference file name":"210226_Hamze_MM-1835_010n","MS1 isotopic spectrum":"906.62091:2852542 907.62426:3390587 908.62762:0","MS/MS spectrum":"94.77225:5092 121.02926:10977 152.99416:14040 168.04221:11178 178.27266:19776 224.06888:12769 229.19699:15246 237.53978:8046 252.08673:8944 279.23495:33505 280.23462:14800 283.24551:60694 297.27902:118087 299.25903:14087 300.26205:13978 327.23093:101376 341.3154:12451 417.79996:9302 428.6427:10084 522.3653:15894 623.57959:30102 624.58398:72613 832.57959:11968"},{"Metabolite":"PC 42:4|PC 22:1_20:3","Alignment ID":"4271","Average Rt(min)":"13.217","Average Mz":"924.6662","Adduct type":"[M+CH3COO]-","Fill %":"0.759","MS/MS assigned":"TRUE","Reference RT":"12.04","Reference m/z":"924.66992","Formula":"C50H92NO8P","Ontology":"PC","INCHIKEY":"MAEKBGUWIARQGY-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3311","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"96.7","RT similarity":"100","Dot product":"23.3","Reverse dot product":"71.7","Fragment presence %":"100","S/N average":"135.54","Spectrum reference file name":"210226_Hamze_MM-1835_054n","MS1 isotopic spectrum":"924.67004:2735900 925.67339:2794940 926.67675:956062","MS/MS spectrum":"105.66073:5023 110.55924:5731 113.2575:6185 123.01187:6266 168.16393:7680 175.54929:9517 212.04341:8598 279.23001:36520 281.24985:38247 282.23489:9249 305.2449:29455 337.30927:10697 361.31363:31431 363.32776:14552 420.9444:9880 430.62204:12511 490.04221:9183 850.6402:10504"},{"Metabolite":"PC 42:6|PC 18:0_24:6","Alignment ID":"4238","Average Rt(min)":"12.234","Average Mz":"920.63617","Adduct type":"[M+CH3COO]-","Fill %":"0.717","MS/MS assigned":"TRUE","Reference RT":"10.32","Reference m/z":"920.63861","Formula":"C50H88NO8P","Ontology":"PC","INCHIKEY":"WZVQRCOGOKYORS-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3311","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"99.3","RT similarity":"100","Dot product":"49.9","Reverse dot product":"57.1","Fragment presence %":"100","S/N average":"102.56","Spectrum reference file name":"210226_Hamze_MM-1835_107n","MS1 isotopic spectrum":"920.63727:2141422 921.64062:1725776 922.64398:415182","MS/MS spectrum":"114.73418:5711 119.67551:5550 141.59428:6989 168.76968:9010 196.6985:7790 244.33318:8654 283.26614:75284 301.90573:8825 309.28131:16522 311.2706:24333 311.66013:9112 329.24878:19976 355.26297:134428 437.37842:9843 508.33624:14171 846.60583:15826"},{"Metabolite":"PC 44:7|PC 22:1_22:6","Alignment ID":"4462","Average Rt(min)":"12.553","Average Mz":"946.65472","Adduct type":"[M+CH3COO]-","Fill %":"0.51","MS/MS assigned":"TRUE","Reference RT":"10.9","Reference m/z":"946.6543","Formula":"C52H90NO8P","Ontology":"PC","INCHIKEY":"BMQZUVJDTYLGMN-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3311","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"46.4","Reverse dot product":"68.1","Fragment presence %":"100","S/N average":"482.86","Spectrum reference file name":"210226_Hamze_MM-1835_047n","MS1 isotopic spectrum":"946.65411:1960308 947.65746:2082637 948.66082:1078893","MS/MS spectrum":"104.16199:5042 105.96569:6197 136.42691:7584 143.28064:6679 144.99367:6766 158.64195:6839 159.06544:13332 159.10207:7415 173.15651:7978 178.24704:33321 185.08621:7399 194.99451:9247 197.42305:7837 199.84264:9331 200.53297:8324 205.2522:10101 229.19318:14957 281.24966:14161 283.2403:43181 327.23083:100670 329.13306:10697 337.30908:116861 541.29779:9734 557.54242:10134 872.60608:15062 946.67114:15530"},{"Metabolite":"PC O-24:0|PC O-9:0_15:0","Alignment ID":"1968","Average Rt(min)":"10.125","Average Mz":"666.47064","Adduct type":"[M+CH3COO]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"7.97","Reference m/z":"666.4715","Formula":"C32H66NO7P","Ontology":"EtherPC","INCHIKEY":"KGTYTMBWZBWIDU-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"37.1","Reverse dot product":"67.7","Fragment presence %":"100","S/N average":"5404.53","Spectrum reference file name":"210226_Hamze_MM-1835_116n","MS1 isotopic spectrum":"666.47119:2572423 667.47454:1483390 668.4779:0","MS/MS spectrum":"90.51508:4981 91.76028:4801 110.94844:5722 113.57133:6066 114.99322:5844 127.33558:6501 138.44576:7841 152.99622:33901 178.24458:23636 224.06894:20020 241.21802:86920 251.06284:8129 287.84067:8919 288.29211:35498 367.36139:248063 377.20911:17348 592.42932:84797"},{"Metabolite":"PC O-32:0|PC O-16:0_16:0","Alignment ID":"3029","Average Rt(min)":"12.165","Average Mz":"778.60077","Adduct type":"[M+CH3COO]-","Fill %":"0.676","MS/MS assigned":"TRUE","Reference RT":"10.28","Reference m/z":"778.59668","Formula":"C40H82NO7P","Ontology":"EtherPC","INCHIKEY":"WOTHHEHCEYHCFE-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"72.1","Reverse dot product":"64","Fragment presence %":"100","S/N average":"438.44","Spectrum reference file name":"210226_Hamze_MM-1835_083n","MS1 isotopic spectrum":"778.60077:4294760 779.60412:5350770 780.60748:1418078","MS/MS spectrum":"178.24712:88679 200.29543:8058 255.23146:1327188 259.2402:10161 283.26599:49570 303.23355:73930 331.26559:19199 389.57123:9014 423.14127:9683 448.32385:42496 466.32806:125239 704.56683:136926"},{"Metabolite":"PC O-34:1|PC O-18:1_16:0","Alignment ID":"3257","Average Rt(min)":"12.268","Average Mz":"804.61066","Adduct type":"[M+CH3COO]-","Fill %":"0.607","MS/MS assigned":"TRUE","Reference RT":"10.66","Reference m/z":"804.61243","Formula":"C42H84NO7P","Ontology":"EtherPC","INCHIKEY":"IQLHTKSHLGLPMG-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"64.3","Reverse dot product":"64.6","Fragment presence %":"100","S/N average":"4720.75","Spectrum reference file name":"210226_Hamze_MM-1835_047n","MS1 isotopic spectrum":"804.60986:34321548 805.61321:27212740 806.61657:8027281","MS/MS spectrum":"140.01198:20438 168.04214:35287 177.16353:26166 196.03947:27003 229.19691:54895 249.18542:16119 253.21634:13679 255.23137:8201982 281.24966:1288206 283.24542:319141 297.2789:340140 327.23083:456986 403.26303:62879 448.31348:47524 466.32788:125524 474.33325:340652 476.34729:71100 492.34454:746597 494.35645:174540 730.56531:854819"},{"Metabolite":"PC O-34:2|PC O-16:0_18:2","Alignment ID":"3234","Average Rt(min)":"11.619","Average Mz":"802.59576","Adduct type":"[M+CH3COO]-","Fill %":"0.552","MS/MS assigned":"TRUE","Reference RT":"9.89","Reference m/z":"802.59668","Formula":"C42H82NO7P","Ontology":"EtherPC","INCHIKEY":"IQACMFWAGALEAQ-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"14.8","Reverse dot product":"70.2","Fragment presence %":"100","S/N average":"298.82","Spectrum reference file name":"210226_Hamze_MM-1835_016n","MS1 isotopic spectrum":"802.59546:3006494 803.59881:3771626 804.60217:2562228","MS/MS spectrum":"140.01031:51378 152.99626:62150 168.04228:33471 169.86967:7803 177.16367:11796 191.18074:10213 196.03668:51896 224.06898:13865 229.1971:42465 249.18562:12008 253.21655:175010 255.23157:558424 256.23712:143518 279.23508:467818 281.24991:555078 282.25021:342013 283.24054:184419 283.58377:10048 295.26422:669231 297.27914:82346 325.31378:11206 327.23108:315769 329.24878:10258 419.25266:18663 433.2728:24532 437.27039:11788 448.32404:25084 466.32828:50744 480.30133:20428 481.32013:11560 490.33362:28381 492.30975:54151 540.85229:11001 643.15588:10053 715.51617:17914 728.55591:67544 745.54883:41478"},{"Metabolite":"PC O-35:1|PC O-19:1_16:0","Alignment ID":"3360","Average Rt(min)":"13.752","Average Mz":"818.62714","Adduct type":"[M+CH3COO]-","Fill %":"0.966","MS/MS assigned":"TRUE","Reference RT":"11.15","Reference m/z":"818.62799","Formula":"C43H86NO7P","Ontology":"EtherPC","INCHIKEY":"VAUOUJRETGLVLQ-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCC=CCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"93","RT similarity":"100","Dot product":"17.3","Reverse dot product":"59.9","Fragment presence %":"100","S/N average":"460.6","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"818.62646:2795553 819.62981:3396616 820.63317:2281194","MS/MS spectrum":"139.04053:6754 146.72807:7254 159.43443:6746 168.04218:97017 174.53967:7087 177.74478:8831 178.26752:37810 255.23141:163669 256.23694:9485 259.24014:23636 271.98459:8918 279.23489:25580 280.23456:12213 281.24973:348745 283.26596:17376 303.23349:197852 327.2309:11192 357.27716:15239 514.36963:15232 532.3772:29003 744.60938:43144 818.69781:94446"},{"Metabolite":"PC O-37:1|PC O-19:0_18:1","Alignment ID":"3600","Average Rt(min)":"14.75","Average Mz":"846.66028","Adduct type":"[M+CH3COO]-","Fill %":"0.655","MS/MS assigned":"TRUE","Reference RT":"12.49","Reference m/z":"846.6593","Formula":"C45H90NO7P","Ontology":"EtherPC","INCHIKEY":"DIUMXZNPHOYMGC-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"70.2","Reverse dot product":"63.3","Fragment presence %":"100","S/N average":"608.57","Spectrum reference file name":"210226_Hamze_MM-1835_122n","MS1 isotopic spectrum":"846.65887:4276638 847.66222:3456722 848.66558:2594377","MS/MS spectrum":"110.91323:6358 135.57033:6888 164.14903:8944 168.0421:162912 169.04762:10293 183.04842:7795 199.31584:8314 199.36116:8446 224.06876:8829 255.23129:20983 279.23477:31104 280.23444:21244 281.2496:291713 283.26584:80684 303.23337:12768 309.28098:17081 311.29385:11063 327.23709:11972 771.63269:45305 772.6463:674661 785.65234:22271 786.64636:58546 846.73718:18310"},{"Metabolite":"PC O-40:1|PC O-22:0_18:1","Alignment ID":"3962","Average Rt(min)":"14.29","Average Mz":"888.71381","Adduct type":"[M+CH3COO]-","Fill %":"0.628","MS/MS assigned":"TRUE","Reference RT":"13.31","Reference m/z":"888.7063","Formula":"C48H96NO7P","Ontology":"EtherPC","INCHIKEY":"OEWCRRXFJNOHDS-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"89","RT similarity":"100","Dot product":"30.7","Reverse dot product":"63.7","Fragment presence %":"100","S/N average":"216.64","Spectrum reference file name":"210226_Hamze_MM-1835_055n","MS1 isotopic spectrum":"888.71173:1558566 889.71508:1737842 890.71844:523952","MS/MS spectrum":"94.16305:4880 102.60014:5626 120.13083:6436 131.26259:6786 165.6772:7210 168.04227:12475 178.27017:24910 243.59261:9755 281.24988:9466 331.26569:10505 422.40405:15188 434.75809:9342 441.5625:9653 814.68878:13996"},{"Metabolite":"PC O-40:2|PC O-21:2_19:0","Alignment ID":"3936","Average Rt(min)":"13.325","Average Mz":"886.69861","Adduct type":"[M+CH3COO]-","Fill %":"0.821","MS/MS assigned":"TRUE","Reference RT":"13.09","Reference m/z":"886.69061","Formula":"C48H94NO7P","Ontology":"EtherPC","INCHIKEY":"LXYWNIQKNYEFSH-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCC=CCC=CCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"93.5","RT similarity":"100","Dot product":"14.1","Reverse dot product":"63.4","Fragment presence %":"100","S/N average":"461.81","Spectrum reference file name":"210226_Hamze_MM-1835_133n","MS1 isotopic spectrum":"886.6955:2126482 887.69885:1654770 888.70221:0","MS/MS spectrum":"112.24844:6336 129.37465:6186 152.28758:6837 156.94594:21602 168.0423:52094 170.96127:25205 174.95648:13527 188.97208:62060 224.06902:8247 241.00906:18458 279.2301:215018 281.24994:22586 283.26614:17459 284.26697:12071 288.88174:8793 297.27917:140270 303.2337:13359 304.23972:9586 305.25073:16711 306.24951:17180 307.2648:370250 309.28134:12456 311.29422:12090 321.27579:13680 323.29471:12860 325.30753:76612 327.23111:10021 329.00519:10518 335.29636:10996 371.30142:9093 408.38956:11458 420.3887:28322 522.35278:15754 550.38971:9522 664.62408:29254 771.63354:25132 772.64722:11669 797.65857:32313 798.65118:13290 812.64551:42401 886.55463:32627"},{"Metabolite":"PC O-40:6|PC O-18:0_22:6","Alignment ID":"3868","Average Rt(min)":"12.237","Average Mz":"878.6264","Adduct type":"[M+CH3COO]-","Fill %":"0.662","MS/MS assigned":"TRUE","Reference RT":"10.49","Reference m/z":"878.62799","Formula":"C48H86NO7P","Ontology":"EtherPC","INCHIKEY":"QBZALASVZLFAHF-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"53.3","Reverse dot product":"63.3","Fragment presence %":"100","S/N average":"63.42","Spectrum reference file name":"210226_Hamze_MM-1835_025n","MS1 isotopic spectrum":"878.62769:5455569 879.63104:5940490 880.6344:2060155","MS/MS spectrum":"130.94505:6985 139.06525:7500 168.04459:10787 178.2446:23361 196.03664:22383 224.06174:9495 229.19331:22627 236.02979:12281 279.23502:13231 283.24048:175108 283.29678:10074 284.26688:11094 305.25064:37134 327.23102:336979 329.24869:21959 457.18796:9135 476.34756:43881 494.35675:159918 759.73627:10291 804.59692:40050"},{"Metabolite":"PC O-40:7|PC O-18:1_22:6","Alignment ID":"3853","Average Rt(min)":"11.46","Average Mz":"876.612","Adduct type":"[M+CH3COO]-","Fill %":"0.697","MS/MS assigned":"TRUE","Reference RT":"9.86","Reference m/z":"876.61243","Formula":"C48H84NO7P","Ontology":"EtherPC","INCHIKEY":"MWJZGUPJPKCTCF-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"62.8","Reverse dot product":"77.1","Fragment presence %":"100","S/N average":"411.11","Spectrum reference file name":"210226_Hamze_MM-1835_019n","MS1 isotopic spectrum":"876.61115:3370472 877.6145:3877504 878.61786:981615","MS/MS spectrum":"101.64172:5640 115.30236:5974 143.69597:6542 156.27675:8246 178.27019:50958 196.03668:24954 229.1971:14564 236.02983:17288 246.81642:9119 281.24991:15788 283.24567:112865 305.2507:11116 327.23108:229405 474.33365:29318 492.34494:117208 802.56702:26484 876.60583:117199"},{"Metabolite":"PC O-42:5|PC O-22:1_20:4","Alignment ID":"4134","Average Rt(min)":"13.453","Average Mz":"908.6723","Adduct type":"[M+CH3COO]-","Fill %":"0.607","MS/MS assigned":"TRUE","Reference RT":"12.33","Reference m/z":"908.67499","Formula":"C50H92NO7P","Ontology":"EtherPC","INCHIKEY":"RKYSEMIYABTQRA-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"51.4","Reverse dot product":"67.1","Fragment presence %":"100","S/N average":"47.56","Spectrum reference file name":"210226_Hamze_MM-1835_137n","MS1 isotopic spectrum":"908.67499:1517494 909.67834:1285452 910.6817:469092","MS/MS spectrum":"112.98494:57913 120.99786:6069 154.83733:7174 168.04225:14664 178.24461:27045 210.65457:9015 232.32466:9577 259.2403:23368 303.23364:230343 304.23395:11367 530.4046:15830 548.41241:32671 579.33582:15406 580.34021:31847 776.5589:24159 834.64722:28096"},{"Metabolite":"PC O-42:6|PC O-20:0_22:6","Alignment ID":"4120","Average Rt(min)":"13.209","Average Mz":"906.65784","Adduct type":"[M+CH3COO]-","Fill %":"0.641","MS/MS assigned":"TRUE","Reference RT":"11.71","Reference m/z":"906.6593","Formula":"C50H90NO7P","Ontology":"EtherPC","INCHIKEY":"CMUBJJYJAQLOOD-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"71.4","Reverse dot product":"73.2","Fragment presence %":"100","S/N average":"203.2","Spectrum reference file name":"210226_Hamze_MM-1835_092n","MS1 isotopic spectrum":"906.66046:3413200 907.66381:3861933 908.66717:1158298","MS/MS spectrum":"102.2029:5036 122.32914:7230 197.8288:7513 229.19699:17013 283.24042:98025 305.25055:10573 327.23096:188834 414.96286:9860 504.38455:20464 522.39093:84619 544.5033:9487 832.63116:63598"},{"Metabolite":"PC O-42:7|PC O-20:1_22:6","Alignment ID":"4100","Average Rt(min)":"13.041","Average Mz":"904.64148","Adduct type":"[M+CH3COO]-","Fill %":"0.738","MS/MS assigned":"TRUE","Reference RT":"11.13","Reference m/z":"904.64368","Formula":"C50H88NO7P","Ontology":"EtherPC","INCHIKEY":"BEYLXEJPQOBSGC-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"53.5","Reverse dot product":"62.7","Fragment presence %":"100","S/N average":"79.57","Spectrum reference file name":"210226_Hamze_MM-1835_061n","MS1 isotopic spectrum":"904.64111:2658884 905.64446:2527011 906.64782:739487","MS/MS spectrum":"113.95047:5484 123.0119:7607 128.82185:6714 177.16368:8534 182.69283:7467 224.069:8681 229.19711:23568 275.81006:8767 283.24054:97532 303.2337:8962 327.23111:184089 339.86459:11272 371.07108:9619 502.37189:21852 520.37158:81738 654.38647:10147 830.59747:19953"},{"Metabolite":"PC O-44:5|PC O-24:1_20:4","Alignment ID":"4373","Average Rt(min)":"14.458","Average Mz":"936.70551","Adduct type":"[M+CH3COO]-","Fill %":"0.579","MS/MS assigned":"TRUE","Reference RT":"13.07","Reference m/z":"936.7063","Formula":"C52H96NO7P","Ontology":"EtherPC","INCHIKEY":"AGMNLZKCJUYNCT-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCC=CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"62.7","Reverse dot product":"64.7","Fragment presence %":"100","S/N average":"100.25","Spectrum reference file name":"210226_Hamze_MM-1835_117n","MS1 isotopic spectrum":"936.70642:961660 937.70977:1305411 938.71313:448204","MS/MS spectrum":"93.58296:5924 98.37355:4362 114.12826:5864 120.38:6042 259.24023:16877 263.50485:8797 303.23358:168988 558.43433:10415 576.44208:26361 590.49878:10852 800.66608:12034 862.67334:17124"},{"Metabolite":"PC O-44:6|PC O-24:2_20:4","Alignment ID":"4356","Average Rt(min)":"13.655","Average Mz":"934.68909","Adduct type":"[M+CH3COO]-","Fill %":"0.662","MS/MS assigned":"TRUE","Reference RT":"12.58","Reference m/z":"934.69061","Formula":"C52H94NO7P","Ontology":"EtherPC","INCHIKEY":"CLYDZGGLHUPGKJ-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCC=CCC=CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"51.4","Reverse dot product":"64.4","Fragment presence %":"100","S/N average":"20.59","Spectrum reference file name":"210226_Hamze_MM-1835_006n","MS1 isotopic spectrum":"934.68958:281010 935.69293:402012 936.69629:145110","MS/MS spectrum":"90.54463:4109 167.47293:7402 174.98618:7100 178.27518:8319 215.11641:10123 270.65063:8635 303.23349:68196 574.42621:12978 808.06281:9719 860.66339:13035 932.93738:12540"},{"Metabolite":"PC O-44:7|PC O-22:1_22:6","Alignment ID":"4335","Average Rt(min)":"13.211","Average Mz":"932.67267","Adduct type":"[M+CH3COO]-","Fill %":"0.669","MS/MS assigned":"TRUE","Reference RT":"11.99","Reference m/z":"932.67499","Formula":"C52H92NO7P","Ontology":"EtherPC","INCHIKEY":"RAGMGEMRCPOPFZ-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"45.1","Reverse dot product":"59.1","Fragment presence %":"100","S/N average":"65.83","Spectrum reference file name":"210226_Hamze_MM-1835_122n","MS1 isotopic spectrum":"932.6745:1130188 933.67785:1376412 934.68121:329840","MS/MS spectrum":"90.55199:5679 103.59473:5095 103.70803:4862 123.33467:6862 127.94862:5867 134.1795:7299 154.25751:6948 178.27255:37868 190.7838:8089 196.96513:7928 229.19685:10322 283.24536:53565 287.8876:9591 327.23074:80711 346.62338:9519 388.8208:9899 533.03699:10416 548.41187:40237 858.63342:14625"},{"Metabolite":"PE 30:0|PE 14:0_16:0","Alignment ID":"1931","Average Rt(min)":"11.003","Average Mz":"662.47614","Adduct type":"[M-H]-","Fill %":"0.648","MS/MS assigned":"TRUE","Reference RT":"8.91","Reference m/z":"662.47662","Formula":"C35H70NO8P","Ontology":"PE","INCHIKEY":"FXNACVVCWBVCGD-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"91.3","Reverse dot product":"60.9","Fragment presence %":"100","S/N average":"375.12","Spectrum reference file name":"210226_Hamze_MM-1835_120n","MS1 isotopic spectrum":"662.47559:6161216 663.47894:4337926 664.4823:885126","MS/MS spectrum":"140.01201:39568 165.50781:7821 178.23175:9200 183.53342:7386 196.03656:29876 227.202:1344977 255.23141:672461 264.85095:9539 292.27991:8752 300.2341:8852 323.94455:9086 424.24612:13580 434.27164:14600 452.27365:36465 662.49469:11706 662.62286:11314"},{"Metabolite":"PE 32:2|PE 16:1_16:1","Alignment ID":"2125","Average Rt(min)":"10.578","Average Mz":"686.47559","Adduct type":"[M-H]-","Fill %":"0.952","MS/MS assigned":"TRUE","Reference RT":"8.62","Reference m/z":"686.47662","Formula":"C37H70NO8P","Ontology":"PE","INCHIKEY":"PGPMCWZMPPZJML-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"85.1","Reverse dot product":"46.5","Fragment presence %":"100","S/N average":"190.64","Spectrum reference file name":"210226_Hamze_MM-1835_002n","MS1 isotopic spectrum":"686.47589:4469179 687.47924:2755154 688.4826:0","MS/MS spectrum":"133.16409:7119 135.83862:6786 140.01028:28355 153.33203:7290 178.24715:44322 196.03664:32208 209.05843:9857 227.20207:20883 253.21648:1682199 279.23502:51469 355.88919:9646 384.0336:9128 432.25772:15694 450.26672:31249 556.59692:9594 686.46973:9638"},{"Metabolite":"PE 33:1|PE 16:0_17:1","Alignment ID":"2287","Average Rt(min)":"11.504","Average Mz":"702.50885","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"9.66","Reference m/z":"702.50787","Formula":"C38H74NO8P","Ontology":"PE","INCHIKEY":"CBDUTJYWWDMHBN-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"46.1","Reverse dot product":"67.8","Fragment presence %":"100","S/N average":"634.74","Spectrum reference file name":"210226_Hamze_MM-1835_139n","MS1 isotopic spectrum":"702.50635:13464009 703.5097:8859835 704.51306:2242025","MS/MS spectrum":"140.01205:110939 178.24458:43479 196.03664:99726 227.20207:9461 241.218:669345 253.21648:608926 255.23151:1560382 267.23181:3210492 269.25067:198427 281.24982:898882 394.36203:11725 434.27179:29237 438.26352:16240 446.26205:12560 452.28415:93141 464.28058:15139 466.32816:10873 478.29578:20153 680.14111:11422 702.52325:72266"},{"Metabolite":"PE 33:1|PE 18:0_15:1","Alignment ID":"2286","Average Rt(min)":"10.75","Average Mz":"702.50708","Adduct type":"[M-H]-","Fill %":"0.876","MS/MS assigned":"TRUE","Reference RT":"9.63","Reference m/z":"702.50787","Formula":"C38H74NO8P","Ontology":"PE","INCHIKEY":"CIFUVBKEQYKNMK-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"38.5","Reverse dot product":"76.3","Fragment presence %":"100","S/N average":"587.96","Spectrum reference file name":"210226_Hamze_MM-1835_088n","MS1 isotopic spectrum":"702.50714:1610507 703.51049:741832 704.51385:0","MS/MS spectrum":"90.21806:5839 102.3862:6874 114.19504:5268 122.98402:212620 129.67055:7742 134.14455:6359 239.19939:17724 255.23146:21018 283.27112:12051 289.19287:8493 289.65283:9303 306.24359:11040 688.32727:10831 702.52313:49975"},{"Metabolite":"PE 33:2|PE 15:0_18:2","Alignment ID":"2266","Average Rt(min)":"11.03","Average Mz":"700.49207","Adduct type":"[M-H]-","Fill %":"0.614","MS/MS assigned":"TRUE","Reference RT":"8.92","Reference m/z":"700.49231","Formula":"C38H72NO8P","Ontology":"PE","INCHIKEY":"QAXAIGXHZKFJPP-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"85.5","Reverse dot product":"59.9","Fragment presence %":"100","S/N average":"681.13","Spectrum reference file name":"210226_Hamze_MM-1835_110n","MS1 isotopic spectrum":"700.49054:27819208 701.49389:23369394 702.49725:6335173","MS/MS spectrum":"140.0121:87573 152.99626:18170 178.26764:61124 196.0367:88057 241.21808:1215876 253.21655:55925 255.23158:56906 265.2171:98581 267.23187:34127 279.23508:3583123 281.24991:12562 283.26614:13975 396.56598:9866 420.24988:39742 438.26367:126042 458.27106:14610 574.36749:12734 700.48865:35494"},{"Metabolite":"PE 34:0|PE 16:0_18:0","Alignment ID":"2443","Average Rt(min)":"12.631","Average Mz":"718.53967","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"10.63","Reference m/z":"718.53918","Formula":"C39H78NO8P","Ontology":"PE","INCHIKEY":"RPJZYOHZALDGKI-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"66.5","Reverse dot product":"67.4","Fragment presence %":"100","S/N average":"2396.61","Spectrum reference file name":"210226_Hamze_MM-1835_058n","MS1 isotopic spectrum":"718.53937:20028502 719.54272:14669175 720.54608:4077894","MS/MS spectrum":"104.74203:6134 122.00008:8188 140.0103:85947 178.27016:33202 192.47006:9845 196.03665:58156 224.11937:7636 241.21803:13915 255.23152:3701420 269.2507:18169 283.26608:1513625 353.33676:11038 434.27182:12882 436.49576:9690 437.38815:9950 452.27386:28423 458.49225:10611 462.29996:35478 480.31256:107476 616.33716:10881 697.8089:10623 718.54645:78728"},{"Metabolite":"PE 34:2|PE 16:1_18:1","Alignment ID":"2407","Average Rt(min)":"11.326","Average Mz":"714.50702","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"9.19","Reference m/z":"714.50787","Formula":"C39H74NO8P","Ontology":"PE","INCHIKEY":"RAMNOXDFBNFSFC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"86.6","Reverse dot product":"62.9","Fragment presence %":"100","S/N average":"185157.92","Spectrum reference file name":"210226_Hamze_MM-1835_132n","MS1 isotopic spectrum":"714.5069:712204224 715.51025:531882400 716.51361:138122272","MS/MS spectrum":"140.01033:72978 178.2702:85539 196.0367:70949 253.21657:2062777 255.2316:87228 279.23511:231881 281.24994:1736625 432.24823:12334 432.32544:11064 450.26688:37695 460.28958:13533 478.29596:59353 714.51038:19262"},{"Metabolite":"PE 34:3|PE 16:1_18:2","Alignment ID":"2388","Average Rt(min)":"10.711","Average Mz":"712.49091","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"8.77","Reference m/z":"712.49231","Formula":"C39H72NO8P","Ontology":"PE","INCHIKEY":"SSRRIJSEUKHYFB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"91.2","Reverse dot product":"60","Fragment presence %":"100","S/N average":"908.04","Spectrum reference file name":"210226_Hamze_MM-1835_006n","MS1 isotopic spectrum":"712.49231:57011236 713.49566:48642152 714.49902:12590383","MS/MS spectrum":"107.40555:6140 115.40737:6565 122.00146:11662 126.65482:6412 138.53494:6966 140.01201:199546 149.69785:7721 152.79317:7118 171.41566:7208 178.24452:15341 196.03656:185617 199.06841:9053 214.04991:13802 253.21638:2944862 279.23489:7447803 414.84482:9361 432.24792:48651 450.26654:237548 458.26022:12471 476.2804:27037 580.3399:14619 632.82648:9871 712.48401:58933"},{"Metabolite":"PE 34:4|PE 14:0_20:4","Alignment ID":"2365","Average Rt(min)":"10.537","Average Mz":"710.47601","Adduct type":"[M-H]-","Fill %":"0.772","MS/MS assigned":"TRUE","Reference RT":"8.7","Reference m/z":"710.47662","Formula":"C39H70NO8P","Ontology":"PE","INCHIKEY":"MNVGUNLOWKLLFC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"78.4","Reverse dot product":"49","Fragment presence %":"100","S/N average":"97.99","Spectrum reference file name":"210226_Hamze_MM-1835_112n","MS1 isotopic spectrum":"710.47656:2838744 711.47991:2308854 712.48327:0","MS/MS spectrum":"102.62023:5640 129.30673:6487 140.0121:20250 143.73666:7542 152.47539:6952 165.28636:7699 178.24719:32343 193.83336:8370 196.03668:21568 227.20213:276094 255.23157:17921 259.24478:41542 275.2012:25952 277.21704:17015 279.23508:25007 303.23367:518257 406.23593:11531 424.24637:35450"},{"Metabolite":"PE 35:0|PE 16:0_19:0","Alignment ID":"2593","Average Rt(min)":"13.092","Average Mz":"732.55554","Adduct type":"[M-H]-","Fill %":"0.676","MS/MS assigned":"TRUE","Reference RT":"11.26","Reference m/z":"732.55487","Formula":"C40H80NO8P","Ontology":"PE","INCHIKEY":"QJMXMRBKLSGHBU-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"92.7","RT similarity":"100","Dot product":"49","Reverse dot product":"33.4","Fragment presence %":"100","S/N average":"174.36","Spectrum reference file name":"210226_Hamze_MM-1835_072n","MS1 isotopic spectrum":"732.55548:1924858 733.55883:1554002 734.56219:448653","MS/MS spectrum":"140.01027:20608 168.04222:13788 191.27153:7954 196.03662:10943 241.218:23517 255.23149:3624945 256.81934:9604 269.25067:268202 279.23499:14063 283.26605:399553 297.27905:232445 328.25665:9504 405.27927:16673 466.32812:18145 476.3475:115399 494.35669:244312 732.58405:87797"},{"Metabolite":"PE 35:2|PE 17:1_18:1","Alignment ID":"2553","Average Rt(min)":"11.723","Average Mz":"728.52277","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"9.63","Reference m/z":"728.52362","Formula":"C40H76NO8P","Ontology":"PE","INCHIKEY":"MLYDZMPNTAJTBN-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"37.6","Reverse dot product":"70.1","Fragment presence %":"100","S/N average":"8032.89","Spectrum reference file name":"210226_Hamze_MM-1835_133n","MS1 isotopic spectrum":"728.52289:136928944 729.52624:123694480 730.5296:29712514","MS/MS spectrum":"122.00011:26071 140.01033:328417 178.24466:51489 196.0367:317962 214.05008:16647 241.21809:20419 253.21657:140844 255.2316:206454 267.2319:6165254 269.24603:2278223 279.2301:6829387 281.24994:4771456 293.24823:180428 295.26425:151326 307.2648:47067 446.27234:33571 448.28333:57019 460.27899:60370 464.28076:105870 466.29587:216018 476.28073:22333 478.29596:174467 728.53491:165695"},{"Metabolite":"PE 35:3|PE 17:1_18:2","Alignment ID":"2532","Average Rt(min)":"11.069","Average Mz":"726.50635","Adduct type":"[M-H]-","Fill %":"0.952","MS/MS assigned":"TRUE","Reference RT":"9.03","Reference m/z":"726.50787","Formula":"C40H74NO8P","Ontology":"PE","INCHIKEY":"HAJJFLNUKSWRNU-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"84.2","Reverse dot product":"60.7","Fragment presence %":"100","S/N average":"1343.65","Spectrum reference file name":"210226_Hamze_MM-1835_078n","MS1 isotopic spectrum":"726.50806:16051005 727.51141:12328076 728.51477:2402900","MS/MS spectrum":"121.99998:12319 140.01196:93140 152.99609:131695 153.99866:11193 178.27257:18455 196.03648:102611 247.71373:9312 253.21629:14890 255.23131:32297 265.21683:37408 267.2316:1609430 269.25046:13216 277.21677:20886 279.2348:4037997 281.2496:20742 283.26584:199895 284.26666:155781 293.24792:22957 305.2504:63878 306.25494:38722 415.44406:9976 419.25223:17933 420.2587:15513 437.26993:10381 438.27304:17218 446.27185:28166 458.26004:11666 464.28024:115407 476.28021:21265 726.51147:32911"},{"Metabolite":"PE 35:4|PE 15:0_20:4","Alignment ID":"2513","Average Rt(min)":"10.868","Average Mz":"724.4895","Adduct type":"[M-H]-","Fill %":"0.634","MS/MS assigned":"TRUE","Reference RT":"8.96","Reference m/z":"724.49231","Formula":"C40H72NO8P","Ontology":"PE","INCHIKEY":"PNJZUQDFCCAMNB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"64.5","Reverse dot product":"50.6","Fragment presence %":"100","S/N average":"1669.98","Spectrum reference file name":"210226_Hamze_MM-1835_110n","MS1 isotopic spectrum":"724.49194:28611172 725.49529:25666416 726.49865:7493560","MS/MS spectrum":"96.96929:11758 122.0001:10453 140.0121:252938 152.99626:85600 163.07515:15070 168.04228:428516 169.04546:99207 170.04811:42642 177.09027:12617 178.02766:10913 179.18092:9503 196.0367:236889 205.19554:150241 214.05006:24241 231.21091:16293 241.21808:3111442 255.23158:19854 259.24481:639655 275.20123:9996 277.21707:11619 279.23508:12764 283.26614:126577 284.26697:93687 285.22134:50692 289.21942:49434 303.2337:5902939 304.23401:27510 305.24496:11623 420.24988:81275 438.26367:384608 482.26257:11725 500.27484:11046 724.6236:1207587"},{"Metabolite":"PE 36:1|PE 16:0_20:1","Alignment ID":"2721","Average Rt(min)":"12.773","Average Mz":"744.55438","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"10.84","Reference m/z":"744.55487","Formula":"C41H80NO8P","Ontology":"PE","INCHIKEY":"CCIRMRKPMPEIFZ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"65.5","Reverse dot product":"50.2","Fragment presence %":"100","S/N average":"44687.28","Spectrum reference file name":"210226_Hamze_MM-1835_128n","MS1 isotopic spectrum":"744.55408:592949120 745.55743:515756256 746.56079:136835712","MS/MS spectrum":"122.00151:17723 140.01205:336218 168.04224:111517 169.04539:11416 178.0276:15185 178.24715:45572 196.03662:263985 214.04999:29197 224.06892:28259 253.21648:15891 255.23151:4279268 267.23181:17806 269.24591:19768 279.23502:103110 280.23465:98104 281.24982:4164981 283.26605:1377892 284.26688:28301 285.26782:21069 295.26413:14402 309.28122:10836199 311.2941:21846 315.33109:10599 434.27179:82929 452.2738:323362 460.27881:11270 462.29993:35756 480.3125:147774 488.31131:42783 506.32394:53714 744.58783:252504"},{"Metabolite":"PE 36:1|PE 18:0_18:1","Alignment ID":"2720","Average Rt(min)":"11.666","Average Mz":"744.55402","Adduct type":"[M-H]-","Fill %":"0.959","MS/MS assigned":"TRUE","Reference RT":"10.8","Reference m/z":"744.55487","Formula":"C41H80NO8P","Ontology":"PE","INCHIKEY":"JQKOHRZNEOQNJE-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"44.8","Reverse dot product":"41.2","Fragment presence %":"100","S/N average":"56947.54","Spectrum reference file name":"210226_Hamze_MM-1835_028n","MS1 isotopic spectrum":"744.55414:552217280 745.55749:445972160 746.56085:118817984","MS/MS spectrum":"116.25872:6742 130.99815:7297 155.41609:8217 168.04224:77681 171.93983:9846 178.27016:23799 187.65962:8301 196.76955:7518 224.06894:61728 253.21649:56019 255.23152:982958 279.23502:13740 280.23468:14739 281.24985:2831744 283.26608:29514 400.46945:9112 462.29996:37945 480.31253:61804 744.56604:24369"},{"Metabolite":"PE 36:2|PE 18:0_18:2","Alignment ID":"2701","Average Rt(min)":"12.163","Average Mz":"742.53766","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"9.84","Reference m/z":"742.53918","Formula":"C41H78NO8P","Ontology":"PE","INCHIKEY":"YDTWOEYVDRKKCR-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"83.3","Reverse dot product":"60.1","Fragment presence %":"100","S/N average":"221614.94","Spectrum reference file name":"210226_Hamze_MM-1835_123n","MS1 isotopic spectrum":"742.53766:3676329216 743.54101:3420269312 744.54437:925061888","MS/MS spectrum":"122.00141:13413 140.01195:141687 168.0421:79466 178.2751:21137 196.03647:113631 214.04982:11809 224.06874:17331 253.2206:9109 255.23129:313692 279.23477:6185488 280.23444:18260 281.2496:244144 283.26581:1938838 286.41953:12002 307.26443:34319 370.67953:13658 402.23889:9402 458.27054:13917 462.29956:42588 476.28018:16685 480.31213:221460 563.36877:10755 742.54083:57744"},{"Metabolite":"PE 36:2|PE 18:1_18:1","Alignment ID":"2702","Average Rt(min)":"11.095","Average Mz":"742.54034","Adduct type":"[M-H]-","Fill %":"0.924","MS/MS assigned":"TRUE","Reference RT":"9.93","Reference m/z":"742.53918","Formula":"C41H78NO8P","Ontology":"PE","INCHIKEY":"MWRBNPKJOOWZPW-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"1.2","Reverse dot product":"89.6","Fragment presence %":"100","S/N average":"59336.2","Spectrum reference file name":"210226_Hamze_MM-1835_107n","MS1 isotopic spectrum":"742.53839:471735680 743.54174:361952736 744.5451:97780224","MS/MS spectrum":"140.01033:27309 152.99423:20914 168.04228:696745 196.0367:21147 197.04254:12335 206.05667:12512 224.069:550463 242.08121:52231 253.21655:188678 255.23158:8141938 256.23712:243660 257.23975:221878 258.23935:75249 259.24481:35720 260.24713:52672 261.22354:21147 261.25073:36106 274.16504:21254 277.84256:15374 279.23007:22117756 280.23474:21268 281.24991:406834 284.43686:16406 303.2337:185225 304.23401:391959 305.23926:419371 306.24374:213851 307.24744:54827 406.27112:11360 409.15265:12562 430.27695:12922 453.27734:13531 454.28409:27591 455.28378:25899 462.30008:145472 478.29593:11005 480.31265:649845 486.30179:39333 504.31183:50211 742.54169:158594"},{"Metabolite":"PE 36:3|PE 18:1_18:2","Alignment ID":"2678","Average Rt(min)":"11.437","Average Mz":"740.52203","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"9.35","Reference m/z":"740.52362","Formula":"C41H76NO8P","Ontology":"PE","INCHIKEY":"GKAFCSRKMWFPSJ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"91.4","Reverse dot product":"62","Fragment presence %":"100","S/N average":"197167.28","Spectrum reference file name":"210226_Hamze_MM-1835_126n","MS1 isotopic spectrum":"740.52417:2060191232 741.52752:1894164096 742.53088:501345696","MS/MS spectrum":"122.00146:52807 140.01201:748049 152.99615:14549 178.02754:25354 196.03951:631300 214.04993:53565 253.21638:108827 255.23141:137203 256.23694:96056 257.23956:47326 259.24463:26205 260.24695:20591 261.22336:22817 274.16486:15655 274.19409:18948 277.8374:14139 279.23489:27890314 280.23456:26760 281.24973:11461724 284.41092:20651 289.29846:27329 290.29959:15017 303.23349:152244 304.2395:190681 305.23904:124818 307.26456:277321 453.27704:15926 458.27075:102463 460.28925:222155 476.2804:114163 478.29562:943159 740.5249:277775"},{"Metabolite":"PE 36:4|PE 16:0_20:4","Alignment ID":"2665","Average Rt(min)":"11.254","Average Mz":"738.50824","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"9.16","Reference m/z":"738.50787","Formula":"C41H74NO8P","Ontology":"PE","INCHIKEY":"NQIMLWFRWGTTOZ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"86.9","Reverse dot product":"60.7","Fragment presence %":"100","S/N average":"418764.84","Spectrum reference file name":"210226_Hamze_MM-1835_144n","MS1 isotopic spectrum":"738.50769:3222045696 739.51104:3230546688 740.5144:860323904","MS/MS spectrum":"122.00143:158348 140.01196:2359414 151.14975:30033 152.99611:81764 163.07722:87309 177.09262:163461 178.02748:76206 178.27257:66235 179.18074:27963 191.10678:78358 196.03944:2328793 203.1779:28655 205.19534:1318303 214.04985:229956 217.19774:104962 219.13873:35152 225.18571:27453 231.21068:171448 241.21783:77559 242.21852:44038 255.20068:167161 255.23132:29802886 257.2262:52576 259.24454:5915366 259.77869:35091 267.21286:29295 277.2168:74884 279.2348:54963 281.24963:47073 285.22107:428687 288.2919:185144 289.29837:132615 297.50464:54763 301.21945:107773 303.2334:58678784 304.23367:54245 305.24466:27157 309.12921:55300 378.24139:37472 434.27148:791201 452.28381:3715336 482.27344:183488 500.27435:93673 738.51654:459454"},{"Metabolite":"PE 36:4|PE 18:2_18:2","Alignment ID":"2664","Average Rt(min)":"10.881","Average Mz":"738.50787","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"8.81","Reference m/z":"738.50787","Formula":"C41H74NO8P","Ontology":"PE","INCHIKEY":"SSCDRSKJTAQNNB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"90.7","Reverse dot product":"47","Fragment presence %":"100","S/N average":"29160.09","Spectrum reference file name":"210226_Hamze_MM-1835_128n","MS1 isotopic spectrum":"738.50812:402165312 739.51147:469432608 740.51483:118880184","MS/MS spectrum":"122.00151:65448 122.9855:25094 140.01205:971225 152.99622:223274 178.0276:27990 196.03662:872156 214.04999:71641 253.21648:123628 255.23151:267353 256.23703:219420 257.23523:93780 258.23035:73552 259.23575:34230 261.22345:40010 274.18445:46550 277.21698:134572 279.22998:46884604 280.23465:50286 281.24982:155895 284.4213:44223 284.52432:21264 297.27905:361521 298.2832:268032 301.21967:184088 302.22128:271113 303.22794:254420 304.23389:90817 305.25061:274022 402.2392:34104 415.22626:20369 433.27267:22639 451.28403:21294 453.27722:30084 458.2709:376526 476.28055:1132268 738.49548:283238"},{"Metabolite":"PE 36:6|PE 16:1_20:5","Alignment ID":"2616","Average Rt(min)":"10.225","Average Mz":"734.47534","Adduct type":"[M-H]-","Fill %":"0.752","MS/MS assigned":"TRUE","Reference RT":"8.43","Reference m/z":"734.47662","Formula":"C41H70NO8P","Ontology":"PE","INCHIKEY":"LEBOQMHVVYOZDX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"66","Reverse dot product":"51.3","Fragment presence %":"100","S/N average":"2557.02","Spectrum reference file name":"210226_Hamze_MM-1835_127n","MS1 isotopic spectrum":"734.47534:15823321 735.47869:17819376 736.48205:4930912","MS/MS spectrum":"111.12304:8670 122.00005:14319 140.01204:182826 149.13312:9325 151.14983:11666 152.99619:62438 163.1489:11111 168.04221:10613 171.00679:13080 177.09273:10354 183.17091:9384 191.18065:9789 196.03661:182628 203.18112:144660 209.02269:8762 214.04996:16458 215.18083:9103 223.1713:41398 229.19699:10446 241.21797:73027 242.21864:46409 251.19954:25761 253.21645:2347691 254.21878:21792 255.23146:145811 256.237:64463 257.22635:720960 263.38086:8779 267.23175:173847 268.23834:120596 269.25064:27365 270.24957:17993 277.21695:11862 279.23495:15370 281.24979:193737 282.25009:169349 283.20459:26113 298.82596:9681 301.21964:2352292 302.18741:9308 303.23355:53997 313.15402:9913 365.33612:8539 391.22766:28021 409.23245:11882 432.24802:50934 450.26666:230381 480.24463:12505 660.52191:49956 734.50378:85575"},{"Metabolite":"PE 37:1|PE 19:0_18:1","Alignment ID":"2842","Average Rt(min)":"13.193","Average Mz":"758.56989","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"11.46","Reference m/z":"758.5705","Formula":"C42H82NO8P","Ontology":"PE","INCHIKEY":"IEXMVEPNTXOSEP-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"45.2","Reverse dot product":"52.9","Fragment presence %":"100","S/N average":"1306","Spectrum reference file name":"210226_Hamze_MM-1835_127n","MS1 isotopic spectrum":"758.56982:14608096 759.57317:11324546 760.57653:2740431","MS/MS spectrum":"140.01204:69971 168.04221:409349 169.04538:32427 178.27267:14687 182.20059:7791 186.18065:8823 196.03661:45178 255.23584:13424 269.25064:112800 280.23462:13846 281.24979:1718442 283.26602:82834 295.2641:263557 297.27902:1270320 309.28119:132038 323.29456:9366 460.27875:11478 476.314:18316 478.29572:32497 494.32123:38631 758.63562:972549"},{"Metabolite":"PE 37:2|PE 18:1_19:1","Alignment ID":"2822","Average Rt(min)":"11.504","Average Mz":"756.55432","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"10.63","Reference m/z":"756.55487","Formula":"C42H80NO8P","Ontology":"PE","INCHIKEY":"VYGBMMLRWMCCRC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"16.6","Reverse dot product":"47.2","Fragment presence %":"100","S/N average":"2112.15","Spectrum reference file name":"210226_Hamze_MM-1835_056n","MS1 isotopic spectrum":"756.55267:22426912 757.55602:18134986 758.55938:3860271","MS/MS spectrum":"152.99625:9893 168.04227:280387 178.26762:50543 224.06897:225228 242.08118:20103 247.40448:9243 253.21652:66855 255.23155:25873 267.23184:2746856 269.24597:1539613 277.21704:12687 279.23505:4551680 280.23471:11702 281.24988:4439310 282.25021:10420 293.2482:20215 295.22607:111919 295.26419:60563 297.24612:32154 474.30032:28535 476.31415:30550 478.29587:10430 488.3114:16841 492.30972:95309 494.32141:149477 504.29962:13164 506.32404:28284 629.47302:9523 756.55371:83173"},{"Metabolite":"PE 37:3|PE 17:0_20:3","Alignment ID":"2806","Average Rt(min)":"11.966","Average Mz":"754.5368","Adduct type":"[M-H]-","Fill %":"0.945","MS/MS assigned":"TRUE","Reference RT":"10.15","Reference m/z":"754.53918","Formula":"C42H78NO8P","Ontology":"PE","INCHIKEY":"DGJLCEKUOUIZMG-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"67.3","Reverse dot product":"45.8","Fragment presence %":"100","S/N average":"8115.56","Spectrum reference file name":"210226_Hamze_MM-1835_099n","MS1 isotopic spectrum":"754.53925:13673981 755.5426:14141747 756.54596:4205536","MS/MS spectrum":"112.99906:5943 118.71276:6450 140.01022:15714 165.46436:7191 178.24196:7693 196.03949:12966 269.25055:157651 277.21686:38143 279.23489:44380 283.26593:23202 291.23117:53377 297.27893:19216 305.25049:475449 319.26321:21766 335.45438:9257 466.2955:9671"},{"Metabolite":"PE 37:3|PE 19:1_18:2","Alignment ID":"2807","Average Rt(min)":"11.805","Average Mz":"754.53741","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"9.89","Reference m/z":"754.53918","Formula":"C42H78NO8P","Ontology":"PE","INCHIKEY":"QXCGZZUAHLWWCF-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"66","Reverse dot product":"61.1","Fragment presence %":"100","S/N average":"1243.3","Spectrum reference file name":"210226_Hamze_MM-1835_082n","MS1 isotopic spectrum":"754.53729:33556444 755.54064:37886524 756.544:6808056","MS/MS spectrum":"122.00148:14690 140.01202:209184 152.99619:10782 178.24455:59550 196.03659:188862 255.23145:24909 260.24698:14422 267.23175:231177 269.25061:230467 270.2543:49486 271.25406:17713 277.21692:18736 279.23495:5503568 281.24976:352240 283.26599:14265 293.24808:711679 295.26407:2201251 303.23352:98461 304.23383:86704 305.25055:512687 307.26462:744466 458.27081:15023 464.28049:14030 466.29559:20550 474.30014:37905 476.28046:25175 478.29568:18454 492.30951:154144 754.54651:45877"},{"Metabolite":"PE 37:4|PE 17:0_20:4","Alignment ID":"2790","Average Rt(min)":"11.643","Average Mz":"752.52441","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"9.65","Reference m/z":"752.52362","Formula":"C42H76NO8P","Ontology":"PE","INCHIKEY":"CKWQBCHPEQMNNL-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"87","Reverse dot product":"60.3","Fragment presence %":"100","S/N average":"9739.57","Spectrum reference file name":"210226_Hamze_MM-1835_141n","MS1 isotopic spectrum":"752.52374:486029120 753.52709:512859456 754.53045:139784784","MS/MS spectrum":"122.00148:48352 140.01202:677163 152.99617:17468 163.0773:29360 168.04219:21189 177.09271:49204 178.02756:17876 178.2701:80444 179.18082:14098 191.10686:27165 196.03658:649026 205.12286:19301 205.19543:428360 214.04994:48808 217.19785:33416 231.21077:57628 255.23145:14695 259.24466:1824309 267.21298:12211 269.25061:8653741 279.22992:24545 285.22119:153668 291.23654:15446 297.41663:11847 297.50476:14624 301.2196:34733 303.23352:18074898 304.23383:16748 305.24481:17455 377.24835:14123 405.24414:12861 426.24222:11690 448.28305:159439 466.29559:805301 482.2623:46055 500.27457:25247 508.47134:12592 752.52545:134800"},{"Metabolite":"PE 37:5|PE 17:1_20:4","Alignment ID":"2778","Average Rt(min)":"11.002","Average Mz":"750.50677","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"9.09","Reference m/z":"750.50787","Formula":"C42H74NO8P","Ontology":"PE","INCHIKEY":"FTVHSCHLVOYFRH-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"87.5","Reverse dot product":"61.1","Fragment presence %":"100","S/N average":"18249.19","Spectrum reference file name":"210226_Hamze_MM-1835_135n","MS1 isotopic spectrum":"750.50677:285482944 751.51012:297051744 752.51348:77978904","MS/MS spectrum":"122.0001:36489 140.01033:389667 152.99626:60972 163.07515:13398 177.0928:25278 178.02766:16874 178.2702:31881 191.10696:10419 196.0367:408096 205.19554:225389 214.04671:36855 217.19453:20509 231.21091:29352 241.21808:53164 255.23158:58466 256.23712:20747 257.22647:11213 259.24481:939974 267.2319:5423589 279.23511:21089 281.24991:23727 283.26614:97679 284.26697:72204 285.22137:82935 289.21414:17483 297.50491:12218 301.21976:38174 303.2337:9384510 304.82169:10943 309.12369:11402 329.24878:90984 330.25174:10780 438.26367:17997 446.27231:122213 464.28073:563330 482.26257:16657 500.27484:25014 689.55078:10953 750.51294:73705"},{"Metabolite":"PE 37:6|PE 15:0_22:6","Alignment ID":"2756","Average Rt(min)":"10.717","Average Mz":"748.49109","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"8.68","Reference m/z":"748.49231","Formula":"C42H72NO8P","Ontology":"PE","INCHIKEY":"WIJRNOBSWIZHST-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"67.8","Reverse dot product":"60.6","Fragment presence %":"100","S/N average":"1953.36","Spectrum reference file name":"210226_Hamze_MM-1835_120n","MS1 isotopic spectrum":"748.4931:55666008 749.49645:52895140 750.49981:14098140","MS/MS spectrum":"117.07045:11644 119.08584:12437 121.10219:19808 122.00147:16603 133.10138:22745 135.11732:23924 140.01201:299210 143.08751:10672 147.11815:13237 149.13309:34929 152.99615:87099 161.13387:18525 163.07504:25287 163.14886:29719 168.04218:28227 175.14784:18030 177.16356:69937 178.27008:72414 189.16455:15841 191.18062:33658 196.03656:243262 203.18109:21453 214.04657:19364 229.19696:223980 241.21793:3160634 249.18547:69378 255.20953:13865 255.23579:17920 256.23694:13070 269.24582:18088 281.24973:37122 282.25006:26897 283.24036:1202315 284.26678:84150 303.23349:10622 309.22272:29633 327.2309:1879552 419.26163:12312 420.2496:90057 438.26337:386195 506.27484:11938 581.70837:10696 674.53845:12092 687.55219:38739 688.54047:88031 748.50757:30876"},{"Metabolite":"PE 38:0|PE 18:0_20:0","Alignment ID":"2991","Average Rt(min)":"14.537","Average Mz":"774.60004","Adduct type":"[M-H]-","Fill %":"0.89","MS/MS assigned":"TRUE","Reference RT":"12.65","Reference m/z":"774.60181","Formula":"C43H86NO8P","Ontology":"PE","INCHIKEY":"TZINTCMFTOUPSN-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"81.9","Reverse dot product":"49.2","Fragment presence %":"100","S/N average":"221.34","Spectrum reference file name":"210226_Hamze_MM-1835_116n","MS1 isotopic spectrum":"774.60284:7637708 775.60619:7573324 776.60955:1913440","MS/MS spectrum":"124.23678:7031 138.89284:8705 140.01205:87859 151.77028:7719 163.35944:7359 166.92749:7921 168.04224:10299 178.27271:18080 196.03664:41016 201.34659:8388 242.82697:9208 255.23151:16547 281.24982:16630 283.26605:916435 290.14044:9500 311.2941:2335075 339.32697:35926 434.08722:9111 462.29993:23896 480.31253:55139 508.33609:10857 654.27844:10880 680.57935:8883 774.4256:13146 774.63385:118688"},{"Metabolite":"PE 38:2|PE 20:0_18:2","Alignment ID":"2958","Average Rt(min)":"13.043","Average Mz":"770.57141","Adduct type":"[M-H]-","Fill %":"0.903","MS/MS assigned":"TRUE","Reference RT":"11.25","Reference m/z":"770.5705","Formula":"C43H82NO8P","Ontology":"PE","INCHIKEY":"CLPMAPXZURYSNH-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"59.7","Reverse dot product":"64","Fragment presence %":"100","S/N average":"12379.56","Spectrum reference file name":"210226_Hamze_MM-1835_076n","MS1 isotopic spectrum":"770.57153:147408368 771.57488:100430880 772.57824:28244112","MS/MS spectrum":"121.99999:61915 140.01198:867267 168.04213:48560 196.03651:766110 214.04988:70606 224.0688:20301 261.2233:30098 274.09171:21903 274.18918:24503 279.23483:34480428 280.2345:19400 281.24966:143337 283.2659:987307 284.51901:18158 305.25043:21414 307.2645:2219871 309.28104:177123 311.29391:12476723 402.23898:31745 458.27066:110298 462.29965:26023 476.2803:91091 480.31223:59739 490.33322:324325 508.34808:1180251 770.57526:500269"},{"Metabolite":"PE 38:4|PE 18:1_20:3","Alignment ID":"2924","Average Rt(min)":"11.663","Average Mz":"766.53943","Adduct type":"[M-H]-","Fill %":"0.683","MS/MS assigned":"TRUE","Reference RT":"9.97","Reference m/z":"766.53918","Formula":"C43H78NO8P","Ontology":"PE","INCHIKEY":"FHPKJOCRZAXOEW-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"89.9","Reverse dot product":"60.5","Fragment presence %":"100","S/N average":"49606.65","Spectrum reference file name":"210226_Hamze_MM-1835_137n","MS1 isotopic spectrum":"766.53918:913724608 767.54253:816897472 768.54589:227852976","MS/MS spectrum":"122.00008:345696 140.01208:5203980 178.24716:601670 196.03665:4661253 214.05003:309669 255.23154:701765 259.24475:197904 261.25977:968980 279.23505:3355113 281.24988:70467712 287.23865:385638 299.4649:156807 303.23364:1437094 305.25064:184287616 306.25522:175699 307.26471:1556808 311.20572:174542 331.26569:1828600 460.28949:1450561 478.29587:6144729 484.28149:475086 502.29926:376363 674.59521:145370 766.5495:1545575"},{"Metabolite":"PE 38:6|PE 18:2_20:4","Alignment ID":"2877","Average Rt(min)":"10.856","Average Mz":"762.50555","Adduct type":"[M-H]-","Fill %":"0.993","MS/MS assigned":"TRUE","Reference RT":"8.94","Reference m/z":"762.50787","Formula":"C43H74NO8P","Ontology":"PE","INCHIKEY":"VFHZIDQZQBGNBH-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"73.8","Reverse dot product":"62.4","Fragment presence %":"100","S/N average":"35292.28","Spectrum reference file name":"210226_Hamze_MM-1835_121n","MS1 isotopic spectrum":"762.50818:448655424 763.51153:516499968 764.51489:133260384","MS/MS spectrum":"122.00143:89147 140.01196:1162178 151.14975:21855 152.99611:201725 163.07724:36842 168.04446:250936 169.04765:24488 171.00671:24192 177.09264:63832 177.16351:19347 178.0275:22619 178.24448:26550 191.1068:38099 196.03946:1124944 203.18103:92280 205.12279:19908 205.19536:528589 214.04987:113909 217.19775:30483 223.17119:20432 227.03288:12060 229.19688:23272 231.21446:73247 253.21632:43079 255.23572:196794 256.23688:64763 257.22623:481015 259.24457:2417446 261.2233:12971 267.23163:86995 268.23822:51059 269.25049:124873 270.25421:90011 271.96524:12208 277.2168:14298 279.23483:13473744 281.24963:2100262 282.24997:271953 283.20956:13963 283.24026:29515 284.27182:12712 285.2211:180090 295.26395:272720 296.26886:244233 297.27887:200628 297.4165:20542 298.28302:167106 301.21948:1763961 301.65778:17190 303.2334:22962912 305.25043:24912 309.1059:15687 327.2308:88594 328.2373:19373 329.24847:59701 402.23895:13740 415.22601:16266 426.24203:13103 451.28375:13279 452.28384:32459 458.27063:286756 460.28912:27450 476.28027:1237703 478.29547:175924 482.27347:58193 484.28113:16932 498.29791:14511 500.27438:48821 687.552:107864 688.54028:1283154 760.95135:12462 762.53149:223646"},{"Metabolite":"PE 39:1|PE 19:0_20:1","Alignment ID":"3088","Average Rt(min)":"13.06","Average Mz":"786.59998","Adduct type":"[M-H]-","Fill %":"0.703","MS/MS assigned":"TRUE","Reference RT":"12.48","Reference m/z":"786.60181","Formula":"C44H86NO8P","Ontology":"PE","INCHIKEY":"BWERJWSATILQDA-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"94.7","RT similarity":"100","Dot product":"17.2","Reverse dot product":"42.2","Fragment presence %":"100","S/N average":"853.87","Spectrum reference file name":"210226_Hamze_MM-1835_104n","MS1 isotopic spectrum":"786.60059:5309540 787.60394:5012494 788.6073:1313239","MS/MS spectrum":"157.92366:9857 168.04225:142866 169.04541:22049 170.04568:21590 178.27016:27051 214.6329:8698 224.06895:45527 255.23154:33241 269.2507:56674 279.23505:10626 281.24985:2109094 283.26608:38912 295.26419:120544 297.27911:768995 309.28125:124531 317.60999:9513 323.29462:61354 376.80045:9543 447.37759:10609 488.31137:9295 494.32135:11364 504.34821:19484 522.3526:66889 786.64709:305455"},{"Metabolite":"PE 39:2|PE 19:1_20:1","Alignment ID":"3077","Average Rt(min)":"12.387","Average Mz":"784.586","Adduct type":"[M-H]-","Fill %":"0.655","MS/MS assigned":"TRUE","Reference RT":"11.88","Reference m/z":"784.58618","Formula":"C44H84NO8P","Ontology":"PE","INCHIKEY":"SEHASXPRKLRHPR-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"10.4","Reverse dot product":"60.8","Fragment presence %":"100","S/N average":"1222.98","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"784.5849:9261651 785.58825:7988852 786.59161:2228440","MS/MS spectrum":"168.04218:109203 178.24452:26971 196.03951:10018 223.48659:8789 224.06885:90594 254.14041:8342 267.23172:68864 269.25058:34748 279.23489:2487422 281.24973:1218301 283.26596:16592 293.21567:10480 295.26404:795272 297.27896:919024 307.26456:88704 309.2811:53784 333.27493:13397 502.34735:9808 506.32376:14329 520.3457:21658 522.35236:58787 784.58978:36481"},{"Metabolite":"PE 39:3|PE 19:0_20:3","Alignment ID":"3057","Average Rt(min)":"12.85","Average Mz":"782.56848","Adduct type":"[M-H]-","Fill %":"0.738","MS/MS assigned":"TRUE","Reference RT":"11.26","Reference m/z":"782.5705","Formula":"C44H82NO8P","Ontology":"PE","INCHIKEY":"GXYUDVMCRSHAHY-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"59.9","Reverse dot product":"61","Fragment presence %":"100","S/N average":"212.89","Spectrum reference file name":"210226_Hamze_MM-1835_076n","MS1 isotopic spectrum":"782.56866:12114784 783.57201:12258009 784.57537:3268990","MS/MS spectrum":"122.00144:9867 140.01198:109695 168.04213:31953 178.24704:49832 178.54381:8016 196.03651:108049 214.04988:8740 256.54544:9346 261.25958:26860 269.25052:10436 279.23483:31446 283.2659:39993 287.23843:16554 297.2789:1483498 303.23343:18076 305.25043:4107686 319.26315:53231 333.2814:69384 363.34241:10704 394.14328:9665 476.31378:37971 494.32101:134788 502.29889:11531 512.65784:9176 615.04095:10689 617.01093:10565 620.59735:14219 721.80389:10486 782.56427:43651"},{"Metabolite":"PE 39:3|PE 20:1_19:2","Alignment ID":"3058","Average Rt(min)":"11.591","Average Mz":"782.57141","Adduct type":"[M-H]-","Fill %":"0.641","MS/MS assigned":"TRUE","Reference RT":"11.06","Reference m/z":"782.5705","Formula":"C44H82NO8P","Ontology":"PE","INCHIKEY":"TXOJKGWNUJPBDX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"20.7","Reverse dot product":"77.1","Fragment presence %":"100","S/N average":"108.16","Spectrum reference file name":"210226_Hamze_MM-1835_047n","MS1 isotopic spectrum":"782.56891:6722547 783.57226:5358576 784.57562:1592273","MS/MS spectrum":"152.99612:12860 153.09167:13939 168.04214:99825 178.2726:13540 193.12239:13313 196.03947:17049 224.0688:88366 255.23137:126026 256.23691:37096 257.23953:18050 267.23166:39912 269.25052:140964 279.23486:2967660 281.24966:196778 283.2659:17491 293.24799:237693 295.26398:1168912 303.23343:19875 304.23373:18735 305.25046:392309 307.26453:65511 309.28107:1091243 319.22644:26242 347.26181:107387 401.24475:82374 452.27356:15405 472.2879:48927 490.29825:70597 494.32104:11999 502.33517:20759 518.3252:10583 520.34564:74832 728.11218:11525 782.56433:118400"},{"Metabolite":"PE 39:4|PE 17:0_22:4","Alignment ID":"3042","Average Rt(min)":"11.429","Average Mz":"780.55457","Adduct type":"[M-H]-","Fill %":"0.703","MS/MS assigned":"TRUE","Reference RT":"10.25","Reference m/z":"780.55487","Formula":"C44H80NO8P","Ontology":"PE","INCHIKEY":"MGLAAVXTLAIKOU-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"94.8","RT similarity":"100","Dot product":"7.1","Reverse dot product":"64.1","Fragment presence %":"100","S/N average":"1894.06","Spectrum reference file name":"210226_Hamze_MM-1835_028n","MS1 isotopic spectrum":"780.55481:14400163 781.55816:11557226 782.56152:2722872","MS/MS spectrum":"104.35294:7153 120.91929:6893 142.08032:7479 152.99622:11142 167.47301:7511 168.04224:40621 205.19865:8525 224.06894:20698 243.17268:8874 255.23152:712008 256.23706:527149 257.23969:108121 259.24026:33174 269.25067:193913 279.23001:15195 281.24985:18272 282.25015:18215 283.26096:37151 289.21936:14258 303.23361:374302 304.23392:34075 305.2449:19733 322.98276:8705 329.24869:10737 330.25165:14226 331.25919:14502 337.30927:8899 338.31589:10214 362.31119:9014 480.31253:15899 481.30869:22370 494.32132:23842 509.35904:10070 719.54016:28902 720.53589:18151 780.57068:15875"},{"Metabolite":"PE 39:5|PE 19:1_20:4","Alignment ID":"3021","Average Rt(min)":"11.722","Average Mz":"778.53925","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"9.97","Reference m/z":"778.53918","Formula":"C44H78NO8P","Ontology":"PE","INCHIKEY":"SHGLDTCYCHVFQR-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"74.3","Reverse dot product":"61.8","Fragment presence %":"100","S/N average":"3831.41","Spectrum reference file name":"210226_Hamze_MM-1835_053n","MS1 isotopic spectrum":"778.54126:40347784 779.54461:27257688 780.54797:7394994","MS/MS spectrum":"96.96927:10665 122.00151:16397 140.01205:264123 177.09276:13069 178.0276:13471 196.03664:247599 205.19548:131553 214.05:15973 231.21083:34722 255.23151:91771 259.24472:533752 269.25067:528823 281.24982:19795 283.26605:33255 285.22128:38335 285.25748:90853 295.26416:2900976 301.21967:36278 303.23361:5498155 305.24487:10753 317.24561:20772 329.24869:937074 339.03186:9556 448.28314:10400 466.29572:56547 474.30026:67348 482.2738:21328 492.30963:312688 500.28671:11165 778.53754:47429"},{"Metabolite":"PE 39:6|PE 17:0_22:6","Alignment ID":"3005","Average Rt(min)":"11.465","Average Mz":"776.52289","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"9.33","Reference m/z":"776.52362","Formula":"C44H76NO8P","Ontology":"PE","INCHIKEY":"WVGREBRFGJNLSB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"73.2","Reverse dot product":"62.1","Fragment presence %":"100","S/N average":"49897.71","Spectrum reference file name":"210226_Hamze_MM-1835_114n","MS1 isotopic spectrum":"776.52307:311724320 777.52642:298622112 778.52978:83528976","MS/MS spectrum":"117.0705:22723 119.08589:10045 121.10224:38645 122.00008:36070 123.11742:9998 133.10144:44341 135.11739:43176 137.1329:20986 140.01207:392558 143.08574:16766 147.11821:21968 149.13316:44416 151.14987:11081 152.99623:13482 161.13174:22200 163.07512:26749 163.14893:55556 168.04459:13315 175.14792:29323 177.09277:15797 177.16364:122432 178.02762:12868 181.1228:9529 189.16463:20345 191.18071:69620 196.03665:424609 201.16574:13163 203.18118:28099 214.05002:29119 215.18089:10228 217.12233:12434 219.13892:11184 227.20209:32705 229.19705:402163 231.13916:9198 241.19391:12979 249.18558:102646 253.21651:19797 255.23154:35799 269.2507:5102138 271.17261:11892 281.24985:26241 283.24048:2111096 303.23364:18404 309.22287:44522 327.23105:3212306 329.24231:14024 448.2832:99004 466.29575:472525 500.15463:9400 506.26285:19420 524.28064:12773 776.53564:46602"},{"Metabolite":"PE 39:7|PE 17:1_22:6","Alignment ID":"2986","Average Rt(min)":"10.846","Average Mz":"774.5061","Adduct type":"[M-H]-","Fill %":"0.559","MS/MS assigned":"TRUE","Reference RT":"8.95","Reference m/z":"774.50787","Formula":"C44H74NO8P","Ontology":"PE","INCHIKEY":"XOUDAZVFABMKEQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"71.3","Reverse dot product":"61.4","Fragment presence %":"100","S/N average":"2793.31","Spectrum reference file name":"210226_Hamze_MM-1835_076n","MS1 isotopic spectrum":"774.50824:73423192 775.51159:91842840 776.51495:29354756","MS/MS spectrum":"96.96921:11810 117.07043:18471 121.10216:50085 121.99999:32047 133.10135:33128 135.11729:52041 137.13281:21429 140.01198:456688 147.11812:28647 148.9299:13256 149.13306:38294 151.14777:13439 152.99612:90796 161.13383:28504 163.07501:23013 163.14882:45540 175.1478:36811 177.16353:124601 189.16451:31248 191.18057:62237 196.03651:430641 201.1656:19931 203.18105:29771 214.04988:39124 217.19777:10856 229.1969:420495 241.19777:14629 249.18541:88454 255.20947:16931 267.23166:5484097 269.25052:100212 279.23483:74727 280.2345:55012 281.24966:120711 282.25:26658 283.24542:1972961 284.26669:15861 303.23343:14440 307.2645:36979 308.2674:25614 309.22266:34630 313.21936:16596 327.2308:3013172 405.24402:38902 419.25229:17871 423.25327:19756 437.27002:13461 446.27191:104653 464.28033:582051 506.27472:19903 524.28033:20841 687.49396:14089 774.5177:47645"},{"Metabolite":"PE 40:0|PE 18:0_22:0","Alignment ID":"3236","Average Rt(min)":"15.527","Average Mz":"802.63312","Adduct type":"[M-H]-","Fill %":"0.752","MS/MS assigned":"TRUE","Reference RT":"13.07","Reference m/z":"802.63312","Formula":"C45H90NO8P","Ontology":"PE","INCHIKEY":"SBFXSLRWWDOXBJ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"54.5","Reverse dot product":"47.5","Fragment presence %":"100","S/N average":"72.9","Spectrum reference file name":"210226_Hamze_MM-1835_116n","MS1 isotopic spectrum":"802.63232:2472783 803.63567:2119670 804.63903:536218","MS/MS spectrum":"114.91515:6539 135.16797:6474 140.01205:21316 142.653:7089 149.57999:6655 156.64865:7168 162.2332:7874 168.04224:15326 173.84119:7145 196.03958:18232 255.23589:15778 263.43597:9281 279.23502:34249 281.93985:8682 283.26605:207211 303.70471:9294 311.2941:318633 339.32697:668617 368.53601:9237 405.20923:9421 462.29993:11495 480.31253:17717 508.34839:9985 802.6889:68122"},{"Metabolite":"PE 40:1|PE 18:0_22:1","Alignment ID":"3219","Average Rt(min)":"14.579","Average Mz":"800.61841","Adduct type":"[M-H]-","Fill %":"0.952","MS/MS assigned":"TRUE","Reference RT":"13.04","Reference m/z":"800.61749","Formula":"C45H88NO8P","Ontology":"PE","INCHIKEY":"KVCSFWAPYZJNRB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"15.2","Reverse dot product":"49","Fragment presence %":"100","S/N average":"1715.25","Spectrum reference file name":"210226_Hamze_MM-1835_047n","MS1 isotopic spectrum":"800.61792:7105922 801.62127:6283382 802.62463:1687708","MS/MS spectrum":"140.01198:36575 168.04214:1647222 169.0453:184323 191.1295:9675 196.03947:29745 255.23137:20114 261.21423:9197 281.24966:27942 283.2659:610788 305.11307:9416 309.28107:107472 311.29395:51256 337.30908:1800700 339.32678:19425 365.34348:33343 449.31396:18814 450.31778:21356 462.29968:22418 480.31226:55893 516.34167:11550 518.88312:10011 650.87726:9556 711.5863:14814 729.59106:40437 800.66565:4605830"},{"Metabolite":"PE 40:1|PE 20:0_20:1","Alignment ID":"3218","Average Rt(min)":"13.521","Average Mz":"800.61554","Adduct type":"[M-H]-","Fill %":"0.621","MS/MS assigned":"TRUE","Reference RT":"12.94","Reference m/z":"800.61749","Formula":"C45H88NO8P","Ontology":"PE","INCHIKEY":"QULOEXDJDJLZMT-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"99.7","RT similarity":"100","Dot product":"10.8","Reverse dot product":"50.7","Fragment presence %":"100","S/N average":"1593.37","Spectrum reference file name":"210226_Hamze_MM-1835_115n","MS1 isotopic spectrum":"800.61835:10100357 801.6217:7645417 802.62506:2173353","MS/MS spectrum":"122.9855:98279 140.01207:18809 168.04224:957088 169.04541:95463 170.04807:13454 196.03664:10917 224.06894:53764 253.21649:23045 255.23151:30630 279.23502:19659 280.23972:12390 281.24982:1814728 282.25015:102153 283.26605:243582 284.26688:42480 285.26782:10181 296.87775:9555 309.28122:608501 310.28229:33595 311.2941:626618 335.29626:84650 336.30051:121005 337.30927:236971 338.31589:235587 339.32025:126989 506.32397:10451 508.33609:20346 536.36957:49702 729.59143:14039 800.66608:2396344"},{"Metabolite":"PE 40:2|PE 18:1_22:1","Alignment ID":"3201","Average Rt(min)":"13.75","Average Mz":"798.60028","Adduct type":"[M-H]-","Fill %":"0.862","MS/MS assigned":"TRUE","Reference RT":"12.61","Reference m/z":"798.60181","Formula":"C45H86NO8P","Ontology":"PE","INCHIKEY":"HIGXQDJTUMSNNI-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"34.3","Reverse dot product":"52.3","Fragment presence %":"100","S/N average":"1384.7","Spectrum reference file name":"210226_Hamze_MM-1835_144n","MS1 isotopic spectrum":"798.60278:20326414 799.60613:18165232 800.60949:8174751","MS/MS spectrum":"122.00143:10050 140.01196:168392 168.04211:1446602 169.04529:128944 175.87177:9311 178.02748:12055 196.03944:144499 224.06877:11409 253.22063:11739 279.2348:152492 281.24963:2544503 283.26587:162151 306.25494:13001 307.26447:111981 309.28101:1598637 311.29388:66724 312.13297:10572 335.29602:441697 337.30902:4428812 363.22339:9708 365.34341:34544 449.31387:12671 460.28909:35150 478.29544:130120 506.00571:10053 506.32361:38459 516.34161:26171 534.36084:41810 727.58496:38481 778.23383:11646 798.65033:3749903"},{"Metabolite":"PE 40:2|PE 20:0_20:2","Alignment ID":"3203","Average Rt(min)":"12.822","Average Mz":"798.60187","Adduct type":"[M-H]-","Fill %":"0.641","MS/MS assigned":"TRUE","Reference RT":"12.62","Reference m/z":"798.60181","Formula":"C45H86NO8P","Ontology":"PE","INCHIKEY":"VFXVJLJURBJMAK-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"29.6","Reverse dot product":"66.4","Fragment presence %":"100","S/N average":"2071.32","Spectrum reference file name":"210226_Hamze_MM-1835_138n","MS1 isotopic spectrum":"798.60138:26698256 799.60473:22620430 800.60809:6705746","MS/MS spectrum":"122.98552:96016 152.99623:15972 168.04225:534533 178.27016:26932 224.06895:467871 242.08116:42185 253.22084:14527 255.23154:23101 261.22348:18744 279.23505:11450707 280.23471:15101 281.24985:671055 283.26608:2085627 284.26691:23527 285.27304:10895 290.30502:67957 291.31137:42188 303.23364:12465 305.24493:66086 306.24945:64877 307.26471:6093647 309.28125:423129 311.29413:4359480 312.29315:13691 335.2963:47781 337.3093:15735 486.3017:19340 490.33356:37182 504.31174:13986 506.32401:10791 508.33615:140160 518.36353:74653 536.36963:293652 668.98694:10647 798.60254:138657"},{"Metabolite":"PE 40:2|PE 22:0_18:2","Alignment ID":"3202","Average Rt(min)":"14.011","Average Mz":"798.60034","Adduct type":"[M-H]-","Fill %":"0.648","MS/MS assigned":"TRUE","Reference RT":"12.64","Reference m/z":"798.60181","Formula":"C45H86NO8P","Ontology":"PE","INCHIKEY":"UKSDTIJAYBAFLE-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"67.6","Reverse dot product":"50.4","Fragment presence %":"100","S/N average":"506.04","Spectrum reference file name":"210226_Hamze_MM-1835_076n","MS1 isotopic spectrum":"798.60101:13639327 799.60436:13274551 800.60772:3335030","MS/MS spectrum":"122.00144:8841 140.01198:116606 168.04213:252601 169.0453:19973 196.03651:93298 221.73912:10669 279.23483:4074951 281.24966:31212 283.2659:27899 307.2645:126608 309.28104:28785 311.29391:101670 335.29605:65594 337.30905:39113 339.32675:1633016 458.27066:11033 476.2803:11344 512.91968:11126 518.36322:37593 536.3692:133777 636.60358:15159 798.65045:613359"},{"Metabolite":"PE 40:3|PE 20:0_20:3","Alignment ID":"3182","Average Rt(min)":"13.336","Average Mz":"796.58746","Adduct type":"[M-H]-","Fill %":"0.862","MS/MS assigned":"TRUE","Reference RT":"12.01","Reference m/z":"796.58618","Formula":"C45H84NO8P","Ontology":"PE","INCHIKEY":"LNCFJERXSWSWDK-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"39.4","Reverse dot product":"66.8","Fragment presence %":"100","S/N average":"1547.77","Spectrum reference file name":"210226_Hamze_MM-1835_028n","MS1 isotopic spectrum":"796.58527:42908872 797.58862:38624632 798.59198:10906550","MS/MS spectrum":"122.00152:12419 140.01207:296734 168.04224:111465 178.02762:15239 196.03664:270030 214.05:14949 261.25974:43613 279.23502:42771 283.26608:1697960 287.23862:12342 289.28802:39931 303.23361:37284 304.23962:32797 305.25064:6628445 307.26471:11998 309.28125:15307 311.29413:2568900 312.29904:22250 315.271:18075 333.28162:4793247 335.29626:17267 337.30927:18823 462.29996:42101 480.31253:188157 484.28146:19057 490.33353:72976 502.29922:18016 508.33612:244076 512.30939:16568 796.59509:136252"},{"Metabolite":"PE 40:3|PE 20:1_20:2","Alignment ID":"3181","Average Rt(min)":"12.191","Average Mz":"796.58466","Adduct type":"[M-H]-","Fill %":"0.51","MS/MS assigned":"TRUE","Reference RT":"11.69","Reference m/z":"796.58618","Formula":"C45H84NO8P","Ontology":"PE","INCHIKEY":"DQPGARZMASLUJY-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"1.7","Reverse dot product":"87.9","Fragment presence %":"100","S/N average":"7063.2","Spectrum reference file name":"210226_Hamze_MM-1835_134n","MS1 isotopic spectrum":"796.58502:212966224 797.58837:206655456 798.59173:60421636","MS/MS spectrum":"140.0121:16122 152.99626:17042 168.0423:461363 178.27275:19355 196.0367:16570 207.21115:41560 224.069:429347 233.22842:21789 242.08121:47869 255.2316:58088 261.25983:227715 277.21707:44282 279.23511:137562 281.24991:24377 283.26614:5219194 284.26697:33494 287.23871:70776 303.2337:83822 304.23972:60864 305.2507:12885198 306.24951:364436 307.259:173368 309.28134:182321 310.28238:142284 311.2883:77848 333.28171:16720 490.33368:82463 508.33627:439090 512.30951:26359 530.31293:14485 796.59534:70718"},{"Metabolite":"PE 40:4|PE 20:0_20:4","Alignment ID":"3153","Average Rt(min)":"12.962","Average Mz":"794.57001","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"11.22","Reference m/z":"794.5705","Formula":"C45H82NO8P","Ontology":"PE","INCHIKEY":"MIPOZDXFSKBSGM-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"87.7","Reverse dot product":"62.4","Fragment presence %":"100","S/N average":"6223.59","Spectrum reference file name":"210226_Hamze_MM-1835_025n","MS1 isotopic spectrum":"794.57019:239134224 795.57354:246682752 796.5769:69099840","MS/MS spectrum":"122.00007:35663 140.01207:507778 152.99622:21185 163.07735:19838 177.09276:29974 178.02762:13629 178.24715:38912 191.10692:12796 196.03664:518892 205.1955:289158 214.05:52217 217.19791:16747 231.21085:32639 259.24475:1225171 273.22668:12351 283.26608:133772 285.22128:94976 287.27524:15979 297.51587:18213 301.2197:15471 303.23361:12306646 304.23392:19413 305.2449:12763 311.29413:7016784 331.26566:120633 380.31958:10671 465.24884:11191 482.2738:33814 490.33353:150762 500.27472:29386 508.33612:672576 794.57123:113564"},{"Metabolite":"PE 40:5|PE 20:1_20:4","Alignment ID":"3134","Average Rt(min)":"12.14","Average Mz":"792.55408","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"10.27","Reference m/z":"792.55487","Formula":"C45H80NO8P","Ontology":"PE","INCHIKEY":"DVFTWBPPIMYUEN-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"73.7","Reverse dot product":"61.9","Fragment presence %":"100","S/N average":"29740.49","Spectrum reference file name":"210226_Hamze_MM-1835_048n","MS1 isotopic spectrum":"792.55597:241792000 793.55932:225380624 794.56268:64501432","MS/MS spectrum":"122.00143:89807 140.01198:1253417 163.07724:38509 177.09264:69202 178.0275:57362 191.10962:46109 196.03946:1105520 205.19536:534141 214.04987:102314 217.19775:44158 231.21069:132144 255.23134:95222 259.24457:2433887 283.26587:2874136 285.2211:183807 285.25729:444107 303.2334:23374124 305.25043:33147 309.28104:14014744 311.23495:35396 329.24847:4766072 331.26544:40715 462.29962:79805 480.31219:264060 482.26212:64602 488.311:308431 500.27438:58660 506.32364:1275584 792.55444:189319"},{"Metabolite":"PE 40:7|PE 18:1_22:6","Alignment ID":"3105","Average Rt(min)":"11.176","Average Mz":"788.52161","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"9.36","Reference m/z":"788.52362","Formula":"C45H76NO8P","Ontology":"PE","INCHIKEY":"JZSZAGWWWKKXLO-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"74.4","Reverse dot product":"60.3","Fragment presence %":"100","S/N average":"751919.88","Spectrum reference file name":"210226_Hamze_MM-1835_107n","MS1 isotopic spectrum":"788.52386:2624736000 789.52721:2494449408 790.53057:736761408","MS/MS spectrum":"117.07053:1050753 119.08591:479678 121.10226:1466252 122.00155:1690784 131.08678:445005 133.10146:1379626 135.1174:1819130 137.13293:511914 140.0121:18967242 143.08575:490431 147.11824:1180369 149.13319:1706543 151.1479:269328 152.99626:1948687 161.13397:1070480 163.07739:1144681 163.14897:1974596 167.10599:287856 173.13219:318592 175.15045:1582093 177.0928:477413 177.16368:4215862 178.02766:443757 178.27275:397266 181.12283:354262 187.15007:331925 189.16467:941290 191.18074:2309001 193.12256:297588 196.0367:17497906 201.16577:398976 203.10661:292310 203.18123:1021226 214.05006:1833858 217.12238:350532 217.19453:359035 219.13896:254290 229.1971:16260968 231.13921:343278 241.19798:512575 243.14017:248913 245.15538:309970 249.18562:4332846 255.2097:1275749 257.15561:423687 271.17267:205224 281.24991:238816352 282.25534:572776 283.24054:80896488 286.50314:377648 297.22415:428154 309.22293:2086598 325.21933:241414 327.23111:120947984 328.23761:405949 417.24139:298724 419.25266:1554878 437.27042:636836 450.24634:229541 460.27896:4872674 478.29593:22214254 506.26294:1131634 524.28076:520140 701.5249:396006 788.52203:1600164"},{"Metabolite":"PE 40:8|PE 18:2_22:6","Alignment ID":"3087","Average Rt(min)":"10.666","Average Mz":"786.50635","Adduct type":"[M-H]-","Fill %":"0.821","MS/MS assigned":"TRUE","Reference RT":"8.56","Reference m/z":"786.50787","Formula":"C45H74NO8P","Ontology":"PE","INCHIKEY":"HIZMZVSEIXACMP-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"88.7","RT similarity":"100","Dot product":"31.1","Reverse dot product":"41.8","Fragment presence %":"100","S/N average":"58132.68","Spectrum reference file name":"210226_Hamze_MM-1835_blank2n","MS1 isotopic spectrum":"786.50873:195092 787.51208:168201 788.51544:36757","MS/MS spectrum":"103.68091:5742 119.53785:6068 135.65184:7461 143.78661:7537 149.8987:6776 253.28572:11186 279.23001:44728 283.26605:14245 327.23102:12119 351.24948:9056 419.26178:11582 439.88358:9176 711.4848:9272"},{"Metabolite":"PE 41:2|PE 21:0_20:2","Alignment ID":"3318","Average Rt(min)":"13.319","Average Mz":"812.61609","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"12.85","Reference m/z":"812.61749","Formula":"C46H88NO8P","Ontology":"PE","INCHIKEY":"OEFBWJFTNYCCGC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"43.9","Reverse dot product":"82.4","Fragment presence %":"100","S/N average":"525.18","Spectrum reference file name":"210226_Hamze_MM-1835_137n","MS1 isotopic spectrum":"812.61639:6777538 813.61974:7378293 814.6231:1178802","MS/MS spectrum":"122.98405:1655695 168.04225:66829 182.05814:25715 183.00606:43126 279.23004:219155 281.24481:25862 293.24817:11647 297.27911:94135 307.26471:249487 309.27542:10505 325.30746:85593 335.2963:10192 522.35266:10257 659.50262:9849 752.59229:33767 770.59882:35151 812.62042:326257"},{"Metabolite":"PE 41:3|PE 19:0_22:3","Alignment ID":"3305","Average Rt(min)":"12.637","Average Mz":"810.60132","Adduct type":"[M-H]-","Fill %":"0.621","MS/MS assigned":"TRUE","Reference RT":"12.27","Reference m/z":"810.60181","Formula":"C46H86NO8P","Ontology":"PE","INCHIKEY":"LBISNVAEAXGYSI-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"99.6","RT similarity":"100","Dot product":"12.1","Reverse dot product":"67.4","Fragment presence %":"100","S/N average":"57.78","Spectrum reference file name":"210226_Hamze_MM-1835_069n","MS1 isotopic spectrum":"810.6012:1789616 811.60455:1129155 812.60791:262361","MS/MS spectrum":"122.9855:23844 140.01028:27256 143.07101:7947 148.09441:7338 152.99622:19761 168.04224:44590 170.20293:7584 195.13795:12534 196.03664:20200 224.06894:19294 235.16782:13135 269.24594:9900 279.23502:19424 281.24985:48160 283.26605:276403 284.26688:10628 297.27908:316412 299.25909:30795 301.21408:15330 303.23361:63710 305.25061:836652 307.26468:43526 319.26337:112522 323.81952:9215 329.24869:60502 331.26566:92667 333.27509:19812 347.26199:240131 349.27875:37544 363.29056:10754 402.3432:9490 437.27029:11698 462.0759:8883 480.31253:19483 522.36542:21071 583.97473:9775 590.8996:10532 810.58472:33964"},{"Metabolite":"PE 41:3|PE 21:1_20:2","Alignment ID":"3304","Average Rt(min)":"12.641","Average Mz":"810.60107","Adduct type":"[M-H]-","Fill %":"0.6","MS/MS assigned":"TRUE","Reference RT":"12.47","Reference m/z":"810.60181","Formula":"C46H86NO8P","Ontology":"PE","INCHIKEY":"OWVQCLRRWSCGRP-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCCCC=CCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"98.2","RT similarity":"100","Dot product":"4.5","Reverse dot product":"83.5","Fragment presence %":"100","S/N average":"65.42","Spectrum reference file name":"210226_Hamze_MM-1835_118n","MS1 isotopic spectrum":"810.60107:2317532 811.60442:1691973 812.60778:479841","MS/MS spectrum":"149.31317:7560 152.99619:13684 168.04221:40164 178.24712:41019 224.06889:24856 279.23495:97133 283.26599:39649 297.27902:360658 303.23355:34437 304.23386:23012 305.25055:861306 307.26462:12609 312.45901:9209 323.29453:37559 331.26559:15327 349.27866:11284 493.69641:9059 522.3653:21881 657.94128:9790 694.77075:10385 810.60931:10957"},{"Metabolite":"PE 41:6|PE 19:0_22:6","Alignment ID":"3253","Average Rt(min)":"12.298","Average Mz":"804.5556","Adduct type":"[M-H]-","Fill %":"0.959","MS/MS assigned":"TRUE","Reference RT":"10.27","Reference m/z":"804.55487","Formula":"C46H80NO8P","Ontology":"PE","INCHIKEY":"PITVJCPCBXGCHJ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"68.1","Reverse dot product":"61.9","Fragment presence %":"100","S/N average":"11747.27","Spectrum reference file name":"210226_Hamze_MM-1835_072n","MS1 isotopic spectrum":"804.5556:246569376 805.55895:285980672 806.56231:82961968","MS/MS spectrum":"117.07049:97738 119.08587:44144 121.10222:198260 122.00006:118092 131.08673:38534 133.10141:164451 135.11736:162372 137.13289:68248 140.01205:1932775 143.08571:55952 147.11819:119659 149.13313:215887 152.9962:42442 153.09175:32289 159.11938:33951 161.13391:104478 163.0751:82117 163.14891:202650 167.10593:33452 175.14789:157182 177.09274:56491 177.16362:516223 178.0276:54082 178.27269:47087 181.12277:58776 187.15001:32007 189.1646:135174 191.18068:282785 193.12248:46096 196.03662:1886504 201.16571:59629 203.18115:90693 205.12291:46319 207.13744:37526 214.04663:183936 215.18086:42325 217.19446:61375 219.13889:39862 229.19702:1840978 231.13911:40512 241.19386:68947 249.18555:472581 255.23149:4275791 257.15552:51976 281.24982:1088780 283.24045:9976216 297.27905:26963194 309.22281:195787 327.23099:15134022 403.26324:35007 466.32812:61764 474.3335:175698 476.31403:675439 492.34479:348216 494.32129:2847558 506.27499:96513 524.28058:82088 730.58691:456834 804.54779:246275"},{"Metabolite":"PE 41:7|PE 19:1_22:6","Alignment ID":"3230","Average Rt(min)":"11.548","Average Mz":"802.5379","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"9.78","Reference m/z":"802.53918","Formula":"C46H78NO8P","Ontology":"PE","INCHIKEY":"JOKOSRXDBBPDJA-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"66.4","Reverse dot product":"61.3","Fragment presence %":"100","S/N average":"92789.32","Spectrum reference file name":"210226_Hamze_MM-1835_024n","MS1 isotopic spectrum":"802.53809:15540301 803.54144:16875704 804.5448:4834124","MS/MS spectrum":"121.10224:17313 122.00153:9611 135.11739:14595 140.01208:134164 148.9183:21484 152.99623:50903 163.14894:17871 175.14792:18037 177.16365:32907 178.02763:9241 191.18071:11882 196.03665:129784 214.04666:12044 223.47235:8888 229.19707:132938 249.18559:25658 253.21651:25933 255.23154:109348 266.91318:9454 267.23654:9886 279.23505:117312 280.23471:18003 281.24985:60819 282.25528:11363 283.24561:575564 295.26419:1739620 297.27911:82697 303.23364:10525 307.27051:10821 309.22287:11654 311.29413:9892 327.23105:911424 378.06802:9118 419.25259:17476 433.27274:34402 451.28409:16547 474.30032:29877 492.30969:178316 524.2807:9923 715.51611:12818 802.54254:17089"},{"Metabolite":"PE 41:8|PE 19:2_22:6","Alignment ID":"3212","Average Rt(min)":"11.007","Average Mz":"800.52283","Adduct type":"[M-H]-","Fill %":"0.676","MS/MS assigned":"TRUE","Reference RT":"9.41","Reference m/z":"800.52362","Formula":"C46H76NO8P","Ontology":"PE","INCHIKEY":"REUBBVOJAMMFSJ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCC=CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"39.6","Reverse dot product":"65.9","Fragment presence %":"100","S/N average":"9606.01","Spectrum reference file name":"210226_Hamze_MM-1835_131n","MS1 isotopic spectrum":"800.52252:6970628 801.52587:9771243 802.52923:1622298","MS/MS spectrum":"138.23615:7118 140.01031:57055 149.13319:7794 152.99423:21362 177.16368:9725 178.27275:22683 196.03668:50855 229.19337:41359 253.21655:63051 254.2189:39800 279.23007:21911 280.23474:11699 281.24991:123142 282.25024:112453 283.24054:189803 284.26694:22451 293.24823:661228 297.27914:18228 305.24496:99462 306.24948:74616 327.23111:327579 347.2482:9641 472.2883:13326 490.28702:50075 743.54205:10092 800.54468:15424"},{"Metabolite":"PE 42:1|PE 18:0_24:1","Alignment ID":"3445","Average Rt(min)":"15.525","Average Mz":"828.64862","Adduct type":"[M-H]-","Fill %":"0.834","MS/MS assigned":"TRUE","Reference RT":"13.15","Reference m/z":"828.6488","Formula":"C47H92NO8P","Ontology":"PE","INCHIKEY":"IDWSIJXOMBYGGT-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCC=CCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"33.8","Reverse dot product":"47.5","Fragment presence %":"100","S/N average":"211.94","Spectrum reference file name":"210226_Hamze_MM-1835_115n","MS1 isotopic spectrum":"828.64886:2542451 829.65221:1974942 830.65557:626653","MS/MS spectrum":"140.01207:13534 168.04224:137614 169.04541:12291 196.03664:13691 201.51848:8487 221.27556:10695 281.24982:15608 283.26605:159068 311.2941:73453 337.30927:215896 339.32697:12814 365.34369:548798 462.29993:11592 480.31253:17218 828.69855:359587"},{"Metabolite":"PE 42:1|PE 24:0_18:1","Alignment ID":"3444","Average Rt(min)":"15.724","Average Mz":"828.64594","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"13.18","Reference m/z":"828.6488","Formula":"C47H92NO8P","Ontology":"PE","INCHIKEY":"HZQGLAQCNUAUPN-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"84.6","Reverse dot product":"48.7","Fragment presence %":"100","S/N average":"575.52","Spectrum reference file name":"210226_Hamze_MM-1835_039n","MS1 isotopic spectrum":"828.64972:3144375 829.65307:2994280 830.65643:676484","MS/MS spectrum":"112.98496:6867 119.32906:6086 126.11486:8252 127.77954:6147 131.5667:6343 140.0121:11561 160.23949:7045 168.04462:9394 171.56769:9881 189.36595:7996 196.03668:14254 246.9622:9887 281.24991:758153 367.36148:280674 546.39105:12869 564.40454:18087 828.69873:18459"},{"Metabolite":"PE 42:2|PE 20:1_22:1","Alignment ID":"3423","Average Rt(min)":"14.699","Average Mz":"826.6322","Adduct type":"[M-H]-","Fill %":"0.966","MS/MS assigned":"TRUE","Reference RT":"12.87","Reference m/z":"826.63312","Formula":"C47H90NO8P","Ontology":"PE","INCHIKEY":"KAISOVOBKYEPAC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"63.1","Reverse dot product":"49.6","Fragment presence %":"100","S/N average":"386.63","Spectrum reference file name":"210226_Hamze_MM-1835_077n","MS1 isotopic spectrum":"826.63123:4844564 827.63458:3890940 828.63794:1457921","MS/MS spectrum":"122.57494:7183 140.01196:16700 168.04211:22145 178.24701:55454 196.03648:14439 279.2348:15210 281.24963:46575 301.64651:8757 309.28101:273704 337.30902:576658 340.32217:11836 347.28259:8656 365.34341:48637 413.0993:9385 506.32358:12349 516.34161:11605 670.84808:12089 826.6781:80624"},{"Metabolite":"PE 42:2|PE 24:0_18:2","Alignment ID":"3422","Average Rt(min)":"15.038","Average Mz":"826.63208","Adduct type":"[M-H]-","Fill %":"0.897","MS/MS assigned":"TRUE","Reference RT":"12.97","Reference m/z":"826.63312","Formula":"C47H90NO8P","Ontology":"PE","INCHIKEY":"QYPGZEKPAXTRRT-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"59.7","Reverse dot product":"64","Fragment presence %":"100","S/N average":"147.76","Spectrum reference file name":"210226_Hamze_MM-1835_108n","MS1 isotopic spectrum":"826.63214:8311183 827.63549:7922568 828.63885:2367415","MS/MS spectrum":"140.0121:46803 148.89297:13209 168.0423:10980 172.47368:9895 178.26764:27720 196.0367:40590 239.44597:8638 279.2301:1751370 281.24991:35645 307.26477:40775 311.29422:11440 335.29636:30121 339.32706:28664 363.32785:9686 365.34381:38405 367.36151:726296 476.28073:11818 546.39111:13499 564.40454:46739 638.21106:10473 775.56091:10252 826.6535:24005"},{"Metabolite":"PE 42:3|PE 20:0_22:3","Alignment ID":"3401","Average Rt(min)":"13.151","Average Mz":"824.61798","Adduct type":"[M-H]-","Fill %":"0.71","MS/MS assigned":"TRUE","Reference RT":"12.72","Reference m/z":"824.61749","Formula":"C47H88NO8P","Ontology":"PE","INCHIKEY":"NZUVKMHJLMIGIF-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"29.6","Reverse dot product":"61.5","Fragment presence %":"100","S/N average":"306.31","Spectrum reference file name":"210226_Hamze_MM-1835_132n","MS1 isotopic spectrum":"824.61743:7251846 825.62078:5983474 826.62414:1957197","MS/MS spectrum":"152.99423:9054 168.0423:223435 207.21117:8953 224.06902:170851 242.07718:11871 261.25983:34383 279.23511:170357 281.24994:25044 283.26614:275210 289.29868:14001 290.31042:9737 303.2337:39617 304.23972:13074 305.25073:5473940 307.2648:47784 309.28134:10638 311.29422:2361026 333.28174:725887 334.08014:8746 335.29636:13122 337.30939:69335 391.70187:9472 461.54327:9309 490.33368:11439 508.34857:16051 518.36371:34304 536.36975:145976 824.61572:45610"},{"Metabolite":"PE 42:3|PE 24:1_18:2","Alignment ID":"3400","Average Rt(min)":"14.033","Average Mz":"824.6167","Adduct type":"[M-H]-","Fill %":"0.593","MS/MS assigned":"TRUE","Reference RT":"12.77","Reference m/z":"824.61749","Formula":"C47H88NO8P","Ontology":"PE","INCHIKEY":"WUTQBRQRFGUULS-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"59.7","Reverse dot product":"62.3","Fragment presence %":"100","S/N average":"272.17","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"824.61609:10749151 825.61944:7083044 826.6228:2183939","MS/MS spectrum":"140.01201:83268 152.99615:10443 155.49094:8566 178.27008:33807 196.03656:88210 225.47632:8302 253.97084:8867 279.23489:3373964 281.24973:72707 283.26596:54674 290.63977:10906 303.23349:58095 304.2338:11866 305.25049:33102 307.26456:34426 311.29398:13574 333.28146:19578 335.29611:12449 337.30911:33584 361.31348:97124 363.32761:19399 365.34354:1369458 369.8688:9076 484.76221:9334 544.38043:30503 562.39398:103667 824.61511:43188"},{"Metabolite":"PE 42:4|PE 18:0_24:4","Alignment ID":"3383","Average Rt(min)":"13.414","Average Mz":"822.60199","Adduct type":"[M-H]-","Fill %":"0.828","MS/MS assigned":"TRUE","Reference RT":"12.16","Reference m/z":"822.60181","Formula":"C47H86NO8P","Ontology":"PE","INCHIKEY":"CNFXZBRCOHOJAB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"75","Reverse dot product":"60.8","Fragment presence %":"100","S/N average":"668.08","Spectrum reference file name":"210226_Hamze_MM-1835_113n","MS1 isotopic spectrum":"822.6026:16254180 823.60595:13938069 824.60931:3990433","MS/MS spectrum":"122.00153:10388 140.01208:114542 168.04225:41397 178.24716:31253 196.03665:96758 259.24475:12908 283.26608:1402413 303.23364:77963 305.25064:186729 309.28128:38236 311.29413:65971 312.29907:13144 315.30707:31863 329.24872:15823 330.25168:11859 331.25922:29569 333.28165:63463 337.3093:72868 359.29431:3952119 361.30627:10909 462.29999:43391 471.53973:9718 480.31259:123590 538.33563:11012 556.34326:12522 597.50903:12002 772.64703:304464 822.61066:34174"},{"Metabolite":"PE 42:4|PE 22:0_20:4","Alignment ID":"3384","Average Rt(min)":"13.93","Average Mz":"822.60236","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"12.49","Reference m/z":"822.60181","Formula":"C47H86NO8P","Ontology":"PE","INCHIKEY":"QOMNJAFKOIAYPY-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"86.6","Reverse dot product":"61.9","Fragment presence %":"100","S/N average":"1081.29","Spectrum reference file name":"210226_Hamze_MM-1835_078n","MS1 isotopic spectrum":"822.60144:11866260 823.60479:10066077 824.60815:3596504","MS/MS spectrum":"140.01196:103167 196.03648:92974 205.19533:57262 254.33618:8885 259.24454:245407 279.2348:13795 281.2496:10968 283.26584:33086 285.22107:13516 303.23337:2517031 305.24466:9070 311.29388:46149 331.26541:29356 339.32669:1457904 359.29401:24910 377.72064:9478 442.25031:10344 465.52872:8709 482.27344:12416 498.44122:9948 500.27432:11611 518.3631:34510 536.36914:139159 740.58954:10532 772.64636:16648 822.58459:18186"},{"Metabolite":"PE 42:5|PE 18:0_24:5","Alignment ID":"3371","Average Rt(min)":"11.869","Average Mz":"820.58704","Adduct type":"[M-H]-","Fill %":"0.655","MS/MS assigned":"TRUE","Reference RT":"11.07","Reference m/z":"820.58618","Formula":"C47H84NO8P","Ontology":"PE","INCHIKEY":"PILFQNXZTBZETB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"5","Reverse dot product":"61.8","Fragment presence %":"100","S/N average":"1608.88","Spectrum reference file name":"210226_Hamze_MM-1835_102n","MS1 isotopic spectrum":"820.58679:16691302 821.59014:20658822 822.5935:4514317","MS/MS spectrum":"152.99619:24929 163.07732:12112 168.04221:439350 177.09273:18088 178.27011:74787 191.10689:10364 205.19545:168300 217.19443:13115 224.06889:419734 231.2108:57633 242.0811:42077 251.19954:13558 254.22313:11255 255.23146:203740 256.237:112388 257.23962:39886 259.24469:707978 279.23495:81759 281.24979:394428 282.25009:331099 283.26602:1074350 285.22122:56720 285.25745:152369 301.21964:10168 303.23355:6559998 305.25058:38474 307.26465:20608 309.28119:4204303 311.23511:10828 329.24863:1558088 331.26559:27288 357.27722:107623 462.29987:11217 480.30115:17930 481.31992:16472 482.31921:16096 490.33344:15134 508.336:81987 510.29828:14670 516.34192:68810 528.31213:13677 534.36115:276872 746.55493:33311 748.70569:10848 820.58759:42156"},{"Metabolite":"PE 42:5|PE 20:0_22:5","Alignment ID":"3370","Average Rt(min)":"13.346","Average Mz":"820.58582","Adduct type":"[M-H]-","Fill %":"0.641","MS/MS assigned":"TRUE","Reference RT":"11.31","Reference m/z":"820.58618","Formula":"C47H84NO8P","Ontology":"PE","INCHIKEY":"YALHDMNTTOMEOD-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"47.6","Reverse dot product":"66.8","Fragment presence %":"100","S/N average":"625.79","Spectrum reference file name":"210226_Hamze_MM-1835_124n","MS1 isotopic spectrum":"820.58527:6653938 821.58862:4880639 822.59198:3387472","MS/MS spectrum":"121.74284:6506 140.01195:37359 141.98026:6839 178.27:44367 182.20049:9048 184.35835:8539 196.03648:35227 199.16788:8279 231.21066:27651 255.23131:57305 256.23685:11016 281.2496:40331 282.24994:20201 283.26071:43653 285.25726:165538 303.23337:38154 311.29385:413981 329.24841:486931 337.31564:20124 357.28427:23081 407.30133:9574 490.33313:18893 508.34799:44137 528.45526:8769 820.56189:12669"},{"Metabolite":"PE 42:5|PE 22:1_20:4","Alignment ID":"3369","Average Rt(min)":"12.996","Average Mz":"820.58533","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"11.31","Reference m/z":"820.58618","Formula":"C47H84NO8P","Ontology":"PE","INCHIKEY":"ZMGLCPZNKRMLRI-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"68.5","Reverse dot product":"62.3","Fragment presence %":"100","S/N average":"2676.92","Spectrum reference file name":"210226_Hamze_MM-1835_083n","MS1 isotopic spectrum":"820.58539:29496546 821.58874:22797874 822.5921:7333380","MS/MS spectrum":"140.01204:192420 163.07507:10412 168.04454:12587 169.04773:9188 178.27011:32587 192.59621:10435 196.03659:176217 205.19545:70305 207.28793:8775 214.04996:11058 231.2108:13798 255.23146:91698 259.24469:328595 281.24979:22812 282.25009:27575 283.26599:419875 285.22122:20484 285.25742:23593 303.23355:3251364 310.08865:10965 311.29404:162531 313.29089:72828 329.24863:285447 337.3092:1961128 357.27722:623705 462.29984:12409 480.31244:42275 482.27371:10925 508.3483:11797 516.34186:36116 534.36115:175755 759.62372:13665 820.58759:32326"},{"Metabolite":"PE 42:6|PE 20:0_22:6","Alignment ID":"3357","Average Rt(min)":"12.754","Average Mz":"818.57025","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"10.81","Reference m/z":"818.5705","Formula":"C47H82NO8P","Ontology":"PE","INCHIKEY":"WIFLVHIKWGINAQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"74","Reverse dot product":"62.2","Fragment presence %":"100","S/N average":"6228.09","Spectrum reference file name":"210226_Hamze_MM-1835_039n","MS1 isotopic spectrum":"818.57117:86160016 819.57452:94551992 820.57788:34668160","MS/MS spectrum":"117.07053:24218 119.0873:12898 121.10226:39617 122.00155:36820 133.10146:35953 135.1174:53873 137.13293:18388 140.0121:529328 143.0876:19710 147.11824:26808 149.13318:48986 151.1499:13472 161.13397:27325 163.07515:34547 163.14896:41795 168.04228:26717 175.14795:43482 177.1662:131180 178.02765:20411 178.24719:55728 189.16466:20608 191.18074:62444 196.03668:477988 203.18121:40956 214.05006:48619 217.19795:14823 229.1971:463752 241.19394:17394 243.96452:13297 249.18562:104708 255.23158:81892 257.15115:13038 281.24991:265582 283.24567:2543441 297.22412:15969 309.22293:49321 311.29419:6794304 319.36758:13305 327.23111:3840633 490.33365:158437 506.27518:45985 508.33624:728868 524.28076:16403 744.58801:29979 757.62738:15589 758.63593:27430 818.57257:63488"},{"Metabolite":"PE 42:7|PE 20:1_22:6","Alignment ID":"3342","Average Rt(min)":"11.945","Average Mz":"816.55353","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"10.23","Reference m/z":"816.55487","Formula":"C47H80NO8P","Ontology":"PE","INCHIKEY":"XRZUHOFZIRSWMJ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"75.2","Reverse dot product":"60","Fragment presence %":"100","S/N average":"7248.36","Spectrum reference file name":"210226_Hamze_MM-1835_037n","MS1 isotopic spectrum":"816.55353:145263408 817.55688:164519776 818.56024:52976732","MS/MS spectrum":"117.07052:50145 119.08591:25775 121.10226:86078 122.00154:72669 123.11744:18442 131.08678:26662 133.10146:85103 135.1174:85003 137.13293:37700 140.0121:990194 143.08575:27529 147.11824:54725 149.13318:92615 151.1479:20336 152.99625:62983 153.0918:15062 159.11728:22306 161.13397:64591 163.07515:44712 163.14896:90189 165.16551:18097 167.10831:17805 173.13463:15306 175.14795:74258 177.0928:31212 177.16367:256555 178.02765:30664 178.26764:121620 181.12282:22465 187.14732:11802 189.16466:50366 191.18074:148920 193.12254:13537 196.03668:904817 201.16577:17947 203.10971:15232 203.18121:40432 205.12297:19277 214.05005:96556 215.18092:18498 217.19452:20249 219.13895:18324 227.18375:12758 229.1971:845428 231.13919:13297 241.19394:39198 249.18562:218287 255.20969:55509 257.15558:16876 271.17267:14572 279.23508:151081 281.24991:39629 283.24567:4374902 285.26273:13824 303.39816:12831 307.26477:35006 309.28131:12741127 310.28235:15057 311.29419:97834 320.83722:13089 325.21933:16511 327.23108:6861478 329.24875:27068 447.28625:41090 465.3028:14967 488.31146:263952 506.3241:1235262 524.28076:35016 816.56464:96088"},{"Metabolite":"PE 43:4|PE 23:0_20:4","Alignment ID":"3515","Average Rt(min)":"14.429","Average Mz":"836.61639","Adduct type":"[M-H]-","Fill %":"0.966","MS/MS assigned":"TRUE","Reference RT":"12.79","Reference m/z":"836.61749","Formula":"C48H88NO8P","Ontology":"PE","INCHIKEY":"XHLIKTYKJVPVAN-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"85.9","Reverse dot product":"50.7","Fragment presence %":"100","S/N average":"59.95","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"836.61639:4520033 837.61974:5033076 838.6231:1438006","MS/MS spectrum":"140.01201:17501 148.74083:7939 154.93451:7723 178.27263:22166 196.03951:19901 202.33482:7698 211.23341:8265 259.24463:56344 303.23349:628766 353.34372:369475 532.3772:12071 550.38928:33294 832.14111:11329"},{"Metabolite":"PE 43:6|PE 21:0_22:6","Alignment ID":"3482","Average Rt(min)":"13.222","Average Mz":"832.58466","Adduct type":"[M-H]-","Fill %":"0.717","MS/MS assigned":"TRUE","Reference RT":"11.29","Reference m/z":"832.58618","Formula":"C48H84NO8P","Ontology":"PE","INCHIKEY":"YYWYJAHZRFSIIU-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"92.4","RT similarity":"100","Dot product":"20","Reverse dot product":"46.3","Fragment presence %":"100","S/N average":"154.24","Spectrum reference file name":"210226_Hamze_MM-1835_122n","MS1 isotopic spectrum":"832.58679:4089709 833.59014:3668529 834.5935:1075652","MS/MS spectrum":"121.10213:10244 122.98394:10013 133.10132:9526 140.01016:35180 149.13303:14584 149.87099:7901 161.13379:10878 163.14879:11377 168.0421:224850 169.04526:15554 175.14777:13152 177.16348:29228 191.18053:14461 196.03647:21989 203.17789:11607 222.06204:8300 229.19685:115605 249.18535:26763 255.23129:78797 279.77664:8791 281.2496:151460 283.24023:538318 296.4715:8824 309.2226:14803 309.28098:138344 325.31345:418214 327.23074:860993 417.76303:10066 433.31107:25863 466.32776:20657 504.38425:148045 520.38373:9559 522.39062:423172 549.44751:9662 757.62653:15401 758.63513:297404 771.63269:228344 772.6463:543038 832.63068:20301"},{"Metabolite":"PE 44:3|PE 24:0_20:3","Alignment ID":"3652","Average Rt(min)":"15.306","Average Mz":"852.64673","Adduct type":"[M-H]-","Fill %":"0.8","MS/MS assigned":"TRUE","Reference RT":"13.05","Reference m/z":"852.6488","Formula":"C49H92NO8P","Ontology":"PE","INCHIKEY":"BZBHLBAEGFHYHP-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"81.1","Reverse dot product":"48.8","Fragment presence %":"100","S/N average":"27.63","Spectrum reference file name":"210226_Hamze_MM-1835_110n","MS1 isotopic spectrum":"852.64948:854155 853.65283:802968 854.65619:431600","MS/MS spectrum":"148.91637:25713 167.99785:8416 172.76344:8733 196.0367:11046 305.2507:395548 333.28171:12088 367.36151:139202 398.51486:9698 546.39105:11489 564.39014:9788 800.49609:10140"},{"Metabolite":"PE 44:4|PE 24:0_20:4","Alignment ID":"3635","Average Rt(min)":"14.932","Average Mz":"850.63422","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"12.93","Reference m/z":"850.63312","Formula":"C49H90NO8P","Ontology":"PE","INCHIKEY":"XDYQJJJMHMWXMC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"86.6","Reverse dot product":"62.2","Fragment presence %":"100","S/N average":"166.62","Spectrum reference file name":"210226_Hamze_MM-1835_076n","MS1 isotopic spectrum":"850.63403:7396144 851.63738:7295372 852.64074:2172726","MS/MS spectrum":"140.01198:60679 196.03651:63840 205.19536:35574 233.3315:9447 259.24457:151373 269.79688:8447 275.44623:9164 285.2211:13357 303.23343:1526607 305.25043:10614 322.26083:8434 331.01959:8689 367.36118:851127 482.26215:12854 546.39056:22888 555.03485:9994 564.40405:101659 637.24213:10047 800.66559:23999 850.61298:13716"},{"Metabolite":"PE 44:5|PE 24:1_20:4","Alignment ID":"3618","Average Rt(min)":"13.925","Average Mz":"848.6167","Adduct type":"[M-H]-","Fill %":"0.959","MS/MS assigned":"TRUE","Reference RT":"12.55","Reference m/z":"848.61749","Formula":"C49H88NO8P","Ontology":"PE","INCHIKEY":"CORIUPZXHHSRSP-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"63.2","Reverse dot product":"60.7","Fragment presence %":"100","S/N average":"321.31","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"848.6167:36892120 849.62005:37942500 850.62341:12481485","MS/MS spectrum":"140.01201:94940 168.04218:79466 169.0477:11983 178.24707:41196 196.03951:80161 205.1954:48330 239.97179:8498 255.23141:23807 259.24463:209109 281.24973:25618 282.25513:14087 283.26596:41401 289.29846:8354 303.23349:2167085 311.29398:14949 365.34354:1252828 544.38043:31091 562.39398:116065 723.30548:9536 773.63916:25345 774.65674:196359 786.64673:21791 787.66632:205897 788.66418:158537 848.61896:18094"},{"Metabolite":"PE 44:7|PE 22:1_22:6","Alignment ID":"3576","Average Rt(min)":"12.781","Average Mz":"844.58423","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"11.2","Reference m/z":"844.58618","Formula":"C49H84NO8P","Ontology":"PE","INCHIKEY":"NBLIHSDNMICNGL-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"15.9","Reverse dot product":"67.9","Fragment presence %":"100","S/N average":"253.01","Spectrum reference file name":"210226_Hamze_MM-1835_104n","MS1 isotopic spectrum":"844.58203:3226480 845.58538:3700323 846.58874:0","MS/MS spectrum":"140.0103:29187 152.9942:24493 168.04225:133296 177.16364:13614 178.2446:25629 196.03665:29574 224.06895:20284 229.19333:23234 255.23154:22216 269.82559:8719 279.23505:760353 281.24985:314327 283.26608:199314 307.26471:33954 327.23105:218775 337.3093:419310 339.327:87043 367.36142:23351 475.3223:24614 490.3219:18178 493.33163:8887 506.32401:12756 508.33612:23959 516.35461:11930 534.36127:37460 677.89941:10874 769.63501:34010 770.62177:444999 844.59918:12454"},{"Metabolite":"PE 46:4|PE 24:0_22:4","Alignment ID":"3871","Average Rt(min)":"15.597","Average Mz":"878.6629","Adduct type":"[M-H]-","Fill %":"0.517","MS/MS assigned":"TRUE","Reference RT":"13.09","Reference m/z":"878.66443","Formula":"C51H94NO8P","Ontology":"PE","INCHIKEY":"DAZNPJGGOHUYSY-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2359","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"98.4","RT similarity":"100","Dot product":"80.5","Reverse dot product":"46.4","Fragment presence %":"100","S/N average":"12.12","Spectrum reference file name":"210226_Hamze_MM-1835_063n","MS1 isotopic spectrum":"878.66534:369665 879.66869:364170 880.67205:108547","MS/MS spectrum":"97.43329:4293 100.13588:5044 104.23854:4957 109.19524:4757 113.78082:5834 126.04792:7582 127.29236:5872 134.57094:6518 140.01025:7602 287.28036:8323 331.26556:166458 367.3613:67470 424.98834:8873 564.40424:11032"},{"Metabolite":"PE O-32:1|PE O-16:1_16:0","Alignment ID":"2030","Average Rt(min)":"12.285","Average Mz":"674.51172","Adduct type":"[M-H]-","Fill %":"0.779","MS/MS assigned":"TRUE","Reference RT":"10.23","Reference m/z":"674.513","Formula":"C37H74NO7P","Ontology":"EtherPE","INCHIKEY":"FDULCEKAOVWBTQ-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"62.7","Reverse dot product":"66.2","Fragment presence %":"100","S/N average":"863.43","Spectrum reference file name":"210226_Hamze_MM-1835_051n","MS1 isotopic spectrum":"674.51324:3111326 675.51659:4853584 676.51995:1578938","MS/MS spectrum":"96.8801:7232 121.70828:6358 124.76923:6749 131.51477:7692 140.01022:18713 141.45862:6862 172.96587:7722 194.1756:8204 221.04593:8916 232.25612:8037 240.22343:8543 255.23141:1305217 328.99854:8867 418.27707:47747 436.28021:114355 519.62006:10037 532.94476:9029 553.31232:9423 653.82916:11504 674.51965:28403"},{"Metabolite":"PE O-32:2|PE O-16:1_16:1","Alignment ID":"2012","Average Rt(min)":"11.607","Average Mz":"672.49823","Adduct type":"[M-H]-","Fill %":"0.91","MS/MS assigned":"TRUE","Reference RT":"9.53","Reference m/z":"672.49738","Formula":"C37H72NO7P","Ontology":"EtherPE","INCHIKEY":"QXSTVVHZCWJIBU-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"57.8","Reverse dot product":"65.8","Fragment presence %":"100","S/N average":"578.11","Spectrum reference file name":"210226_Hamze_MM-1835_022n","MS1 isotopic spectrum":"672.49713:10086926 673.50048:6687990 674.50384:1511559","MS/MS spectrum":"140.0103:26200 174.1221:8022 192.51022:8050 196.03667:20490 215.71739:10664 227.20212:18317 239.23918:25282 249.86696:9627 253.21652:2547205 255.23155:45638 281.24988:168273 285.7496:9480 375.23474:10633 408.25659:13997 418.27731:106808 436.28046:216244 672.51215:53952"},{"Metabolite":"PE O-33:2|PE O-17:1_16:1","Alignment ID":"2126","Average Rt(min)":"11.982","Average Mz":"686.51318","Adduct type":"[M-H]-","Fill %":"0.503","MS/MS assigned":"TRUE","Reference RT":"10.02","Reference m/z":"686.513","Formula":"C38H74NO7P","Ontology":"EtherPE","INCHIKEY":"PVOOFLKSRQGOIT-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"8.5","Reverse dot product":"83","Fragment presence %":"100","S/N average":"86.72","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"686.51349:5897975 687.51684:3373776 688.5202:1011302","MS/MS spectrum":"140.01022:25062 142.21127:7418 148.90457:23183 148.91823:26086 154.95729:8763 196.03656:22576 212.82455:8132 221.41338:8986 236.79465:9209 239.23906:9947 241.21793:294174 253.21638:234868 255.23141:292958 257.73642:8335 267.23172:1127988 281.24973:633075 282.58127:9920 404.25613:22453 418.26788:40519 422.26404:42021 430.27667:15701 432.28653:9183 436.28021:102399 448.28299:19166 450.30759:18940 457.03036:9999 462.29974:22797 686.5274:25831"},{"Metabolite":"PE O-34:2|PE O-16:1_18:1","Alignment ID":"2267","Average Rt(min)":"12.416","Average Mz":"700.5285","Adduct type":"[M-H]-","Fill %":"0.993","MS/MS assigned":"TRUE","Reference RT":"10.41","Reference m/z":"700.52869","Formula":"C39H76NO7P","Ontology":"EtherPE","INCHIKEY":"ZVVYJAAMWXATNY-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"52.4","Reverse dot product":"67.6","Fragment presence %":"100","S/N average":"3533.1","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"700.52911:653376192 701.53246:414337792 702.53582:107907600","MS/MS spectrum":"140.01201:27568 178.27263:46189 184.65442:8194 196.03656:23369 239.23906:18301 253.21638:50345 253.92305:10414 255.23141:450697 267.23172:18576 279.23489:12064 281.24973:2009815 283.26596:10010 394.03418:8408 418.26788:78650 436.28021:164481 444.28458:11256 462.29974:37042 633.44226:8713 700.52795:50545"},{"Metabolite":"PE O-34:3|PE O-16:1_18:2","Alignment ID":"2244","Average Rt(min)":"11.79","Average Mz":"698.51349","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"9.8","Reference m/z":"698.513","Formula":"C39H74NO7P","Ontology":"EtherPE","INCHIKEY":"LJVXDBWIBQQKFU-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"78.3","Reverse dot product":"60.7","Fragment presence %":"100","S/N average":"10615.17","Spectrum reference file name":"210226_Hamze_MM-1835_078n","MS1 isotopic spectrum":"698.51324:65423192 699.51659:53769328 700.51995:14361726","MS/MS spectrum":"140.01196:56359 178.26746:58251 180.16853:8670 196.03648:40588 239.23897:30180 253.21629:129708 255.23131:278240 274.1745:9006 279.2348:4192398 281.2496:56935 375.23441:10495 418.27692:161540 436.28006:380437 460.28906:15882 489.23914:9220 502.74634:9827 698.52136:41457"},{"Metabolite":"PE O-34:5|PE O-14:1_20:4","Alignment ID":"2201","Average Rt(min)":"10.898","Average Mz":"694.48175","Adduct type":"[M-H]-","Fill %":"0.848","MS/MS assigned":"TRUE","Reference RT":"9","Reference m/z":"694.48169","Formula":"C39H70NO7P","Ontology":"EtherPE","INCHIKEY":"JFCWDSVCBUBNNJ-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"54.8","Reverse dot product":"66.8","Fragment presence %":"100","S/N average":"150.15","Spectrum reference file name":"210226_Hamze_MM-1835_143n","MS1 isotopic spectrum":"694.48169:4454422 695.48504:3066329 696.4884:0","MS/MS spectrum":"121.87996:6018 124.19654:6106 129.17723:5905 140.01193:10283 149.76663:7553 157.48334:7402 196.03647:25396 205.19531:21785 211.20695:12914 225.79645:9050 233.62639:9010 240.46736:8658 259.24451:81248 290.92712:8531 303.23334:810861 390.24054:58116 395.38956:13473 408.25616:169576 694.49506:15045"},{"Metabolite":"PE O-35:2|PE O-16:1_19:1","Alignment ID":"2408","Average Rt(min)":"12.862","Average Mz":"714.54352","Adduct type":"[M-H]-","Fill %":"0.959","MS/MS assigned":"TRUE","Reference RT":"10.94","Reference m/z":"714.54431","Formula":"C40H78NO7P","Ontology":"EtherPE","INCHIKEY":"LXMOHGCMLJBKMJ-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"17.1","Reverse dot product":"92.5","Fragment presence %":"100","S/N average":"421.29","Spectrum reference file name":"210226_Hamze_MM-1835_064n","MS1 isotopic spectrum":"714.54401:1065940 715.54736:764449 716.55072:90315","MS/MS spectrum":"132.42308:7183 150.42221:8344 151.88675:7766 158.78371:8036 178.27011:46381 251.32355:8022 253.21645:16236 255.23146:25661 267.23175:70310 279.22995:37179 281.24979:488684 295.2641:89542 398.83093:9695 432.28662:17740 436.2803:10139 450.29742:35839 582.3266:16962 606.35638:9584 714.55103:31555"},{"Metabolite":"PE O-35:2|PE O-17:1_18:1","Alignment ID":"2409","Average Rt(min)":"12.73","Average Mz":"714.54352","Adduct type":"[M-H]-","Fill %":"0.6","MS/MS assigned":"TRUE","Reference RT":"10.81","Reference m/z":"714.54431","Formula":"C40H78NO7P","Ontology":"EtherPE","INCHIKEY":"FDQGSTMMGFGRFB-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"55.1","Reverse dot product":"67.3","Fragment presence %":"100","S/N average":"271.27","Spectrum reference file name":"210226_Hamze_MM-1835_128n","MS1 isotopic spectrum":"714.54462:2100093 715.54797:1408166 716.55133:416423","MS/MS spectrum":"140.01205:9598 255.23151:39917 269.25067:22679 279.23502:125597 281.24982:1189458 309.28122:14043 432.28668:40426 450.29749:112795 582.34174:27100 683.27527:11157 714.55115:27881"},{"Metabolite":"PE O-35:3|PE O-17:1_18:2","Alignment ID":"2390","Average Rt(min)":"12.223","Average Mz":"712.52783","Adduct type":"[M-H]-","Fill %":"0.903","MS/MS assigned":"TRUE","Reference RT":"10.19","Reference m/z":"712.52869","Formula":"C40H76NO7P","Ontology":"EtherPE","INCHIKEY":"ISXPJSRNZVJVPZ-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"69.8","Reverse dot product":"60.2","Fragment presence %":"100","S/N average":"278.59","Spectrum reference file name":"210226_Hamze_MM-1835_120n","MS1 isotopic spectrum":"712.52808:2161036 713.53143:2094321 714.53479:799605","MS/MS spectrum":"122.09991:7112 140.01201:11405 196.03656:10775 253.25101:11239 265.21692:17522 267.23172:12851 279.23492:1082924 281.24973:23909 318.87772:9383 331.88138:9449 383.12201:22683 384.12238:18908 432.28653:41291 450.29733:87340 579.33551:11785 580.33997:63798 712.5249:10650"},{"Metabolite":"PE O-35:5|PE O-15:1_20:4","Alignment ID":"2340","Average Rt(min)":"11.293","Average Mz":"708.49683","Adduct type":"[M-H]-","Fill %":"0.931","MS/MS assigned":"TRUE","Reference RT":"9.4","Reference m/z":"708.49738","Formula":"C40H72NO7P","Ontology":"EtherPE","INCHIKEY":"ZPZOLGIFBSLYPT-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"52.8","Reverse dot product":"62.6","Fragment presence %":"100","S/N average":"401.94","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"708.49683:7359958 709.50018:7531600 710.50354:1371351","MS/MS spectrum":"140.01201:60575 148.91237:45482 163.07729:9037 177.09268:10077 196.03656:66418 205.1954:69781 225.22208:28018 231.20697:11446 255.23141:8404 259.24463:275142 278.73956:8701 285.22116:24366 289.21924:15403 294.10715:8520 303.23349:2670799 361.21762:16305 404.25613:179784 422.26404:502000 454.58542:8674 482.26224:10330 708.49866:26878"},{"Metabolite":"PE O-36:1|PE O-16:0_20:1","Alignment ID":"2573","Average Rt(min)":"13.472","Average Mz":"730.57458","Adduct type":"[M-H]-","Fill %":"0.959","MS/MS assigned":"TRUE","Reference RT":"12.2","Reference m/z":"730.57562","Formula":"C41H82NO7P","Ontology":"EtherPE","INCHIKEY":"YUSDMPKKAHTCEL-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"38.9","Reverse dot product":"83.6","Fragment presence %":"100","S/N average":"1368.85","Spectrum reference file name":"210226_Hamze_MM-1835_136n","MS1 isotopic spectrum":"730.57477:7886110 731.57812:6478300 732.58148:1548877","MS/MS spectrum":"112.98495:26911 140.01208:12336 168.04227:40842 178.24718:19767 206.12654:8693 219.18074:8032 246.45044:8288 254.21887:11354 255.23157:109178 261.91846:8885 267.23654:8425 281.24988:914776 282.25021:198094 283.25589:116142 309.28128:959847 310.28235:10186 312.91626:9464 387.36002:8773 420.28687:41802 438.30304:94481 448.31381:44744 465.32434:10579 466.32825:67822 727.33282:9765 730.56592:105407"},{"Metabolite":"PE O-36:2|PE O-18:0_18:2","Alignment ID":"2555","Average Rt(min)":"12.791","Average Mz":"728.56","Adduct type":"[M-H]-","Fill %":"0.91","MS/MS assigned":"TRUE","Reference RT":"11.09","Reference m/z":"728.56","Formula":"C41H80NO7P","Ontology":"EtherPE","INCHIKEY":"WQEICMLVSDZVOZ-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"42.7","Reverse dot product":"85.7","Fragment presence %":"100","S/N average":"1154.1","Spectrum reference file name":"210226_Hamze_MM-1835_023n","MS1 isotopic spectrum":"728.56024:8644335 729.56359:6167160 730.56695:1470089","MS/MS spectrum":"96.83101:6051 97.95898:4600 133.23343:7216 142.06396:7483 180.83524:7960 207.00629:8168 236.57971:8556 254.17967:8321 254.45837:9587 265.03162:8812 279.23502:110972 280.18433:9503 281.04739:9005 281.24985:15740 307.26471:29094 388.3277:8841 411.49066:8759 466.32819:9977 684.966:9497 728.5769:15406"},{"Metabolite":"PE O-36:2|PE O-18:1_18:1","Alignment ID":"2554","Average Rt(min)":"13.333","Average Mz":"728.55963","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"11.38","Reference m/z":"728.56","Formula":"C41H80NO7P","Ontology":"EtherPE","INCHIKEY":"XVYPOHCSLJZFED-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"49.3","Reverse dot product":"85.9","Fragment presence %":"100","S/N average":"4323.1","Spectrum reference file name":"210226_Hamze_MM-1835_026n","MS1 isotopic spectrum":"728.55957:23575444 729.56292:11653809 730.56628:3180621","MS/MS spectrum":"122.98403:27003 135.13423:7949 139.04938:6972 140.01205:47725 145.92044:7398 154.64096:7542 168.04222:66072 172.90488:7818 178.27014:69842 196.03662:47671 243.04649:8216 255.00836:8314 255.23149:44853 279.22998:12008 281.24982:2785736 283.26605:32601 285.18506:9595 289.7005:9123 309.28122:2162158 418.26804:73599 436.28036:166021 446.30252:107487 464.31281:244127 728.57684:395882"},{"Metabolite":"PE O-36:4|PE O-16:1_20:3","Alignment ID":"2514","Average Rt(min)":"12.016","Average Mz":"724.52765","Adduct type":"[M-H]-","Fill %":"0.572","MS/MS assigned":"TRUE","Reference RT":"10.28","Reference m/z":"724.52869","Formula":"C41H76NO7P","Ontology":"EtherPE","INCHIKEY":"FUKISTPVIDDUQU-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"49","Reverse dot product":"68.7","Fragment presence %":"100","S/N average":"2113.82","Spectrum reference file name":"210226_Hamze_MM-1835_045n","MS1 isotopic spectrum":"724.52808:7872825 725.53143:5259126 726.53479:1395042","MS/MS spectrum":"117.69041:7361 152.9942:18441 178.24716:23470 196.0396:10604 216.94038:8500 277.21701:30257 279.23001:16620 283.26608:42830 284.26691:38268 305.25064:459397 418.2681:22511 436.28043:54360 508.20081:9569 723.95374:9659 724.51874:11507"},{"Metabolite":"PE O-36:5|PE O-16:1_20:4","Alignment ID":"2493","Average Rt(min)":"11.683","Average Mz":"722.51166","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"9.73","Reference m/z":"722.513","Formula":"C41H74NO7P","Ontology":"EtherPE","INCHIKEY":"YITZQGLIICATLN-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"79.3","Reverse dot product":"62.3","Fragment presence %":"100","S/N average":"243469.55","Spectrum reference file name":"210226_Hamze_MM-1835_047n","MS1 isotopic spectrum":"722.51337:876512768 723.51672:687516096 724.52008:180445920","MS/MS spectrum":"140.01198:81730 191.87784:8482 196.03653:99763 205.19537:97931 239.23901:45221 255.23137:15200 256.23691:16027 259.2446:394258 285.22113:32151 296.60315:8673 303.23343:3905320 375.22668:22709 418.27701:259899 436.28015:743426 720.36938:9799 722.51233:38455"},{"Metabolite":"PE O-36:6|PE O-16:1_20:5","Alignment ID":"2470","Average Rt(min)":"11.167","Average Mz":"720.49591","Adduct type":"[M-H]-","Fill %":"0.959","MS/MS assigned":"TRUE","Reference RT":"9.35","Reference m/z":"720.49738","Formula":"C41H72NO7P","Ontology":"EtherPE","INCHIKEY":"RLLOITCRNQRGJD-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"62.7","Reverse dot product":"60.9","Fragment presence %":"100","S/N average":"1773.93","Spectrum reference file name":"210226_Hamze_MM-1835_073n","MS1 isotopic spectrum":"720.49622:10499448 721.49957:12223724 722.50293:2957384","MS/MS spectrum":"133.64716:6827 140.01204:50516 151.14783:18220 152.99619:8573 158.27365:7369 179.19627:8637 191.10971:9604 196.03659:64955 196.75468:9063 203.18112:92417 223.17128:18084 239.23911:36345 255.23146:16080 256.237:10066 257.22632:433304 259.24469:10648 282.91824:9056 283.20969:18284 285.52142:11114 301.2196:1432846 303.23355:180729 375.23462:20831 418.26797:158639 434.26199:32644 436.2803:495643 720.4942:13312"},{"Metabolite":"PE O-36:6|PE O-16:2_20:4","Alignment ID":"2471","Average Rt(min)":"11.018","Average Mz":"720.49628","Adduct type":"[M-H]-","Fill %":"0.641","MS/MS assigned":"TRUE","Reference RT":"9.27","Reference m/z":"720.49738","Formula":"C41H72NO7P","Ontology":"EtherPE","INCHIKEY":"HOTZMPIFTDOVDL-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCC=CCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"77.5","Reverse dot product":"61.5","Fragment presence %":"100","S/N average":"305.26","Spectrum reference file name":"210226_Hamze_MM-1835_135n","MS1 isotopic spectrum":"720.49628:4846230 721.49963:3294789 722.50299:1037803","MS/MS spectrum":"114.17805:6791 140.01033:27000 152.99423:9824 174.92667:8296 196.0367:31654 205.19554:22747 237.22183:14097 255.23158:21632 256.23712:8911 259.24481:142909 270.54568:9409 285.22137:14174 298.86493:8547 301.21976:12414 303.2337:1383015 416.25485:109123 434.27191:255169 720.49457:11761"},{"Metabolite":"PE O-37:2|PE O-18:1_19:1","Alignment ID":"2703","Average Rt(min)":"13.797","Average Mz":"742.57562","Adduct type":"[M-H]-","Fill %":"0.855","MS/MS assigned":"TRUE","Reference RT":"12.49","Reference m/z":"742.57562","Formula":"C42H82NO7P","Ontology":"EtherPE","INCHIKEY":"UYQPANPYBMTDQO-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"18.6","Reverse dot product":"91.4","Fragment presence %":"100","S/N average":"34.77","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"742.57562:3869952 743.57897:3662987 744.58233:776383","MS/MS spectrum":"140.01201:13724 147.04153:7717 148.91628:34822 178.27008:18961 190.0363:7583 196.03656:19289 196.808:7934 216.26259:8235 253.21638:11218 255.23141:97169 267.23172:15600 279.23489:333004 279.86722:8612 281.24973:1201788 283.26596:31675 295.26404:277126 297.27896:20918 309.2811:64560 323.29446:20285 343.62897:10501 378.16257:8906 405.06897:9623 417.27771:11400 460.32104:49733 464.31262:28646 478.32932:110009 480.31235:14678 558.71759:9841 615.13934:10146 723.57709:8726 742.58466:77344"},{"Metabolite":"PE O-37:3|PE O-19:1_18:2","Alignment ID":"2680","Average Rt(min)":"13.125","Average Mz":"740.56042","Adduct type":"[M-H]-","Fill %":"0.621","MS/MS assigned":"TRUE","Reference RT":"11.48","Reference m/z":"740.56","Formula":"C42H80NO7P","Ontology":"EtherPE","INCHIKEY":"NWMMAEHYJLTEAJ-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"48.7","Reverse dot product":"73","Fragment presence %":"100","S/N average":"88.31","Spectrum reference file name":"210226_Hamze_MM-1835_061n","MS1 isotopic spectrum":"740.55859:710218 741.56194:714338 742.5653:264250","MS/MS spectrum":"102.73978:5494 109.80552:5558 127.61067:6343 136.62228:8500 140.0121:8572 166.22121:7325 178.24721:50787 197.04254:7565 253.21657:12443 255.23158:13355 277.21707:10939 279.2301:539724 281.24991:53143 293.24823:23792 295.26425:19852 305.245:17349 307.26477:92888 478.32965:44508 681.72479:10833 740.56866:23958"},{"Metabolite":"PE O-37:6|PE O-17:2_20:4","Alignment ID":"2619","Average Rt(min)":"11.412","Average Mz":"734.513","Adduct type":"[M-H]-","Fill %":"0.71","MS/MS assigned":"TRUE","Reference RT":"9.61","Reference m/z":"734.513","Formula":"C42H74NO7P","Ontology":"EtherPE","INCHIKEY":"JRXVMTSOQFNTJS-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCC=CCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"72.6","Reverse dot product":"60.9","Fragment presence %":"100","S/N average":"433.43","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"734.513:13103775 735.51635:10227968 736.51971:2575194","MS/MS spectrum":"140.01201:41885 151.18571:8284 167.6476:8244 196.03656:70963 205.1954:42133 208.34293:7513 231.21075:9730 245.1346:8935 251.23796:24496 255.23141:73835 259.24463:200673 285.22635:14979 285.25739:16805 289.21924:14434 301.21957:27273 303.23349:2097933 329.24857:157901 387.22885:18133 422.26404:26902 430.27667:142975 448.28299:411702 494.60446:10517 734.5036:16674"},{"Metabolite":"PE O-37:7|PE O-15:1_22:6","Alignment ID":"2589","Average Rt(min)":"11.138","Average Mz":"732.49762","Adduct type":"[M-H]-","Fill %":"0.545","MS/MS assigned":"TRUE","Reference RT":"9.23","Reference m/z":"732.49738","Formula":"C42H72NO7P","Ontology":"EtherPE","INCHIKEY":"JXPVSTHJRQBAFU-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"52.1","Reverse dot product":"48.5","Fragment presence %":"100","S/N average":"134.33","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"732.49762:10178854 733.50097:10109973 734.50433:2461720","MS/MS spectrum":"121.10218:18249 135.11731:8777 138.62251:6696 140.01201:65209 143.73473:9026 147.11815:11390 161.13387:13851 163.07504:11579 163.15109:10351 168.04218:17419 174.1837:7957 175.15033:8592 177.09268:10077 177.16356:41333 191.18062:16862 196.03656:90239 199.40961:8413 223.8817:9608 225.22208:31799 229.19695:101299 249.00395:8904 249.18546:30036 255.20952:10224 255.23578:9726 269.22684:12612 283.24548:568100 303.23349:16666 303.61371:8577 327.2309:850163 361.21762:14644 404.25613:192222 422.26404:543845 568.41327:10582"},{"Metabolite":"PE O-38:1|PE O-18:0_20:1","Alignment ID":"2846","Average Rt(min)":"14.439","Average Mz":"758.60614","Adduct type":"[M-H]-","Fill %":"0.503","MS/MS assigned":"TRUE","Reference RT":"13.02","Reference m/z":"758.60687","Formula":"C43H86NO7P","Ontology":"EtherPE","INCHIKEY":"WXYGZCLCGIRTNZ-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"58.9","Reverse dot product":"80.4","Fragment presence %":"100","S/N average":"804.04","Spectrum reference file name":"210226_Hamze_MM-1835_059n","MS1 isotopic spectrum":"758.60645:2733705 759.6098:2491735 760.61316:748052","MS/MS spectrum":"112.98495:338080 131.77596:7353 133.36565:7068 140.01031:10218 153.39528:7093 157.6024:7496 162.86516:6764 166.01201:7406 176.01726:8728 255.23157:58265 255.33667:8146 278.96472:8830 281.24988:213235 282.25021:16139 283.26099:12403 309.28128:1149961 310.28235:13843 311.29416:44053 337.30933:27524 404.3786:10060 448.32404:39603 463.90497:9415 466.32825:107840 494.36862:18433 728.55591:11280 740.20087:8957 758.61346:95730"},{"Metabolite":"PE O-38:2|PE O-20:0_18:2","Alignment ID":"2824","Average Rt(min)":"13.77","Average Mz":"756.59082","Adduct type":"[M-H]-","Fill %":"0.959","MS/MS assigned":"TRUE","Reference RT":"12.66","Reference m/z":"756.59131","Formula":"C43H84NO7P","Ontology":"EtherPE","INCHIKEY":"FUOWNRULQZKEKD-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"65.6","Reverse dot product":"73.1","Fragment presence %":"100","S/N average":"680.83","Spectrum reference file name":"210226_Hamze_MM-1835_026n","MS1 isotopic spectrum":"756.59149:5859271 757.59484:5502482 758.5982:1666446","MS/MS spectrum":"133.6505:7747 146.22943:8233 178.27269:13213 212.74799:8964 279.23499:1896088 281.24982:9168 307.26468:133161 308.26758:13426 433.3114:12216 466.32812:10535 476.34753:76751 494.35669:179784 756.59821:82837"},{"Metabolite":"PE O-38:2|PE O-20:1_18:1","Alignment ID":"2825","Average Rt(min)":"14.271","Average Mz":"756.59106","Adduct type":"[M-H]-","Fill %":"0.579","MS/MS assigned":"TRUE","Reference RT":"12.81","Reference m/z":"756.59131","Formula":"C43H84NO7P","Ontology":"EtherPE","INCHIKEY":"JAFJRYZSUHZYCC-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"47.7","Reverse dot product":"87.7","Fragment presence %":"100","S/N average":"753.77","Spectrum reference file name":"210226_Hamze_MM-1835_057n","MS1 isotopic spectrum":"756.59076:8240250 757.59411:4929724 758.59747:38005904","MS/MS spectrum":"109.68576:5903 122.02758:7441 122.98405:10697 133.84317:8433 139.00365:16349 140.0103:11886 166.99701:28448 179.34325:7529 183.06454:14814 183.30412:7640 210.05185:7725 228.31294:9740 266.58575:9090 279.23004:28193 279.83218:9556 281.24988:309294 309.28128:238232 311.29416:26651 337.3093:26711 492.34488:13200 756.59839:75288"},{"Metabolite":"PE O-38:3|PE O-18:1_20:2","Alignment ID":"2810","Average Rt(min)":"13.606","Average Mz":"754.57489","Adduct type":"[M-H]-","Fill %":"0.869","MS/MS assigned":"TRUE","Reference RT":"12.1","Reference m/z":"754.57562","Formula":"C43H82NO7P","Ontology":"EtherPE","INCHIKEY":"HLSDKIUXCZPFLL-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"27.3","Reverse dot product":"93.1","Fragment presence %":"100","S/N average":"596.65","Spectrum reference file name":"210226_Hamze_MM-1835_061n","MS1 isotopic spectrum":"754.57306:9287776 755.57641:8651531 756.57977:2208751","MS/MS spectrum":"112.98496:19107 139.3333:6580 145.85049:7595 147.94171:6937 163.61311:7719 257.44363:9425 279.2301:261613 280.57254:8946 307.26477:75656 309.28134:24232 335.29636:11421 355.4068:9969 461.49005:9841 464.31296:11680 492.35669:13564 672.10046:9247 754.59143:26366"},{"Metabolite":"PE O-38:3|PE O-18:2_20:1","Alignment ID":"2809","Average Rt(min)":"13.398","Average Mz":"754.57489","Adduct type":"[M-H]-","Fill %":"0.628","MS/MS assigned":"TRUE","Reference RT":"12.29","Reference m/z":"754.57562","Formula":"C43H82NO7P","Ontology":"EtherPE","INCHIKEY":"CJTMZOOUZQGAPV-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"67","Reverse dot product":"82.5","Fragment presence %":"100","S/N average":"535.3","Spectrum reference file name":"210226_Hamze_MM-1835_057n","MS1 isotopic spectrum":"754.57544:4480810 755.57879:3758868 756.58215:1969940","MS/MS spectrum":"122.98405:15655 140.0103:21217 148.90465:12523 168.04227:26529 196.03961:10542 274.69217:8286 279.23004:11686 281.24988:109285 303.3187:9444 305.25067:180240 307.25894:21740 309.28128:1454261 340.34268:9230 444.28482:69040 462.29999:144911 466.32822:24581 490.33359:12651 754.59131:144027"},{"Metabolite":"PE O-38:3|PE O-20:1_18:2","Alignment ID":"2808","Average Rt(min)":"11.737","Average Mz":"754.57269","Adduct type":"[M-H]-","Fill %":"0.628","MS/MS assigned":"TRUE","Reference RT":"12.2","Reference m/z":"754.57562","Formula":"C43H82NO7P","Ontology":"EtherPE","INCHIKEY":"RNRKBPIUFPHDJL-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"34.2","Reverse dot product":"60.5","Fragment presence %":"100","S/N average":"50.61","Spectrum reference file name":"210226_Hamze_MM-1835_139n","MS1 isotopic spectrum":"754.57574:738721 755.57909:598477 756.58245:0","MS/MS spectrum":"140.01205:90438 196.03664:78754 255.23151:18810 260.24704:10990 267.23181:131715 269.25067:114910 270.2496:41246 271.25412:13583 277.21698:29752 279.23502:3702188 281.24982:295888 283.26605:13578 293.24814:424812 295.26416:984962 303.23361:76674 304.23389:90559 305.24487:266010 306.24939:17024 307.26468:374291 474.33353:47060 492.34479:111305 754.56897:65330"},{"Metabolite":"PE O-38:4|PE O-16:0_22:4","Alignment ID":"2794","Average Rt(min)":"12.427","Average Mz":"752.55975","Adduct type":"[M-H]-","Fill %":"0.793","MS/MS assigned":"TRUE","Reference RT":"10.98","Reference m/z":"752.56","Formula":"C43H80NO7P","Ontology":"EtherPE","INCHIKEY":"NXDMYSFXEOZPQK-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"61.5","Reverse dot product":"69.4","Fragment presence %":"100","S/N average":"3483","Spectrum reference file name":"210226_Hamze_MM-1835_056n","MS1 isotopic spectrum":"752.55988:22426124 753.56323:20356978 754.56659:5184157","MS/MS spectrum":"140.01208:45132 178.27274:16459 233.22839:56566 259.24478:22356 283.26611:15207 287.27527:277684 303.23367:93297 304.23395:117581 305.24493:144150 306.24945:70886 307.25317:36882 313.25531:29657 329.24875:17638 331.26572:7732143 332.26489:118631 333.26862:61035 377.24854:34998 420.28683:426643 436.28046:10484 438.30301:988138 463.30478:13707 464.3129:19051 465.31354:19042 752.54797:202374"},{"Metabolite":"PE O-38:4|PE O-16:1_22:3","Alignment ID":"2796","Average Rt(min)":"12.932","Average Mz":"752.56018","Adduct type":"[M-H]-","Fill %":"0.634","MS/MS assigned":"TRUE","Reference RT":"11.39","Reference m/z":"752.56","Formula":"C43H80NO7P","Ontology":"EtherPE","INCHIKEY":"BXLKXLUOQHXHNH-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCC=CCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"39.1","Reverse dot product":"72","Fragment presence %":"100","S/N average":"3933.59","Spectrum reference file name":"210226_Hamze_MM-1835_057n","MS1 isotopic spectrum":"752.55981:9169929 753.56316:8886424 754.56652:2592173","MS/MS spectrum":"140.0103:23366 178.24461:19759 196.03667:33979 267.26938:14171 277.21701:69878 303.23364:30850 305.25067:1072698 333.28165:1340132 364.77457:10273 418.26813:45098 436.28046:149150 446.30261:41649 464.3129:108196 624.76862:11685 752.57013:47454"},{"Metabolite":"PE O-38:4|PE O-18:1_20:3","Alignment ID":"2792","Average Rt(min)":"13.192","Average Mz":"752.55853","Adduct type":"[M-H]-","Fill %":"0.51","MS/MS assigned":"TRUE","Reference RT":"11.21","Reference m/z":"752.56","Formula":"C43H80NO7P","Ontology":"EtherPE","INCHIKEY":"ADYILQKXUHGAJF-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"58.3","Reverse dot product":"48.9","Fragment presence %":"100","S/N average":"3505.71","Spectrum reference file name":"210226_Hamze_MM-1835_128n","MS1 isotopic spectrum":"752.55963:11607429 753.56298:8857002 754.56634:2196521","MS/MS spectrum":"115.08727:5955 118.07931:6508 122.98403:32857 140.01028:12591 145.2697:6757 151.79436:7486 168.94633:7485 196.03662:16617 249.34612:8834 261.25519:21779 267.26932:17360 277.21698:13595 287.23862:9091 303.23358:35829 304.23389:9506 305.25061:1081204 329.71744:9685 333.28159:27162 446.30252:57419 463.2084:11693 464.31281:148959 752.59216:212845"},{"Metabolite":"PE O-38:5|PE O-18:1_20:4","Alignment ID":"2780","Average Rt(min)":"12.551","Average Mz":"750.54224","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"10.64","Reference m/z":"750.54431","Formula":"C43H78NO7P","Ontology":"EtherPE","INCHIKEY":"ZTZQZGHJLWFLFQ-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"54.7","Reverse dot product":"69.1","Fragment presence %":"100","S/N average":"65699.99","Spectrum reference file name":"210226_Hamze_MM-1835_115n","MS1 isotopic spectrum":"750.54517:1194172800 751.54852:1079230336 752.55188:314952064","MS/MS spectrum":"140.01207:25514 178.27014:48380 196.03664:21542 205.1955:25701 259.24472:94038 267.26935:14024 286.54471:7795 303.23361:1082757 331.26566:69744 436.2804:16940 446.30255:77964 464.31284:194665 705.85382:10572 750.55688:27925"},{"Metabolite":"PE O-38:5|PE O-18:2_20:3","Alignment ID":"2781","Average Rt(min)":"12.297","Average Mz":"750.54468","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"10.6","Reference m/z":"750.54431","Formula":"C43H78NO7P","Ontology":"EtherPE","INCHIKEY":"LIWOWXVLSZURDI-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"73.3","Reverse dot product":"61","Fragment presence %":"100","S/N average":"18802.38","Spectrum reference file name":"210226_Hamze_MM-1835_128n","MS1 isotopic spectrum":"750.54425:201425840 751.5476:242873152 752.55096:62135152","MS/MS spectrum":"130.88393:7423 140.01205:32009 162.73576:8008 173.69608:7509 182.7962:7755 187.64305:8321 196.03662:26310 257.22638:36613 259.24023:12043 261.2597:18894 265.25412:25319 281.24982:19546 283.26605:45388 287.23862:10227 301.21405:110397 303.23358:98144 305.25061:2149057 307.26468:20211 309.55002:8890 329.24866:27738 331.26562:29915 439.02304:9581 444.28473:97567 448.32391:11390 462.29993:220798 466.32812:42153 473.8237:10251 750.55688:20611"},{"Metabolite":"PE O-38:6|PE O-16:1_22:5","Alignment ID":"2758","Average Rt(min)":"11.783","Average Mz":"748.52771","Adduct type":"[M-H]-","Fill %":"0.717","MS/MS assigned":"TRUE","Reference RT":"9.92","Reference m/z":"748.52869","Formula":"C43H76NO7P","Ontology":"EtherPE","INCHIKEY":"GZEZURLIXRQSDE-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"22","Reverse dot product":"75.8","Fragment presence %":"100","S/N average":"2806.9","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"748.52771:198042848 749.53106:150955072 750.53442:40281476","MS/MS spectrum":"140.01022:44615 178.27008:43114 196.03656:50975 205.1954:28438 224.1553:8620 231.21075:29483 239.23906:10340 255.23141:36959 257.22629:27272 259.24463:103577 265.25403:35164 281.24466:12842 285.25739:152504 301.21957:92255 303.23349:1075790 329.24857:558018 418.27707:50980 436.28021:157772 439.88342:11098 444.29465:88809 462.29974:212929 464.31262:38135 596.16241:10670 748.52954:30393"},{"Metabolite":"PE O-38:6|PE O-18:2_20:4","Alignment ID":"2759","Average Rt(min)":"11.783","Average Mz":"748.52893","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"9.99","Reference m/z":"748.52869","Formula":"C43H76NO7P","Ontology":"EtherPE","INCHIKEY":"UIOPUEZHKHUYIV-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"72.4","Reverse dot product":"61.7","Fragment presence %":"100","S/N average":"65102.94","Spectrum reference file name":"210226_Hamze_MM-1835_107n","MS1 isotopic spectrum":"748.52863:327042144 749.53198:242221136 750.53534:65360992","MS/MS spectrum":"140.0121:86459 152.99626:11477 178.24719:95177 196.0367:93882 205.19554:70551 231.21091:17964 255.23596:11119 259.24481:320167 265.25421:42376 282.25024:22558 283.26102:21911 284.26697:20564 285.22137:20208 285.25757:25192 301.21976:10872 303.2337:3250529 329.24878:280186 401.24509:23948 418.26819:17906 436.28052:52275 444.28488:238272 462.30008:631263 748.53009:30574"},{"Metabolite":"PE O-38:7|PE O-16:1_22:6","Alignment ID":"2736","Average Rt(min)":"11.494","Average Mz":"746.51294","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"9.52","Reference m/z":"746.513","Formula":"C43H74NO7P","Ontology":"EtherPE","INCHIKEY":"WVGALBKSWOUIEZ-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"39.1","Reverse dot product":"63.1","Fragment presence %":"100","S/N average":"169962.06","Spectrum reference file name":"210226_Hamze_MM-1835_037n","MS1 isotopic spectrum":"746.51263:210661264 747.51598:228872368 748.51934:61303032","MS/MS spectrum":"117.07052:60111 119.08591:39720 121.10226:102854 123.11744:23904 127.07681:11570 131.08678:29578 133.10146:105428 135.1174:106658 137.13293:51374 140.0121:492605 141.09091:13829 143.08575:31767 145.10257:20881 147.11824:72948 149.06085:13633 149.13318:115053 151.14989:23976 152.99625:16249 153.0918:18999 159.11728:12777 161.13397:73459 163.01703:10800 163.07515:65811 163.14896:106082 165.16324:17842 166.02579:19388 167.10831:15515 173.13463:11565 175.14795:87459 177.0928:31781 177.16367:317362 178.02765:13394 179.03421:50022 180.04414:12825 181.12282:24910 187.15007:26980 189.16466:62545 191.10696:26434 191.18074:172564 193.12254:20156 196.03668:706877 201.16577:25581 203.1066:19606 203.18121:79028 205.12297:18075 207.1375:12601 215.17754:13183 217.12236:12263 217.19452:36968 219.13895:16675 221.15198:11366 229.1971:1028376 231.13919:16133 239.23921:325409 241.19394:40933 243.14017:12818 245.15536:11127 249.18562:268056 255.20969:76835 257.15558:18557 271.17267:19143 283.24054:5415082 303.23367:39343 309.2229:121873 320.83105:10643 325.21933:11238 327.23108:8200812 333.83112:11472 375.23477:163379 393.23788:14648 418.27734:1832465 436.28049:5313742 506.26294:16226 746.51147:195272"},{"Metabolite":"PE O-38:7|PE O-18:3_20:4","Alignment ID":"2735","Average Rt(min)":"11.2","Average Mz":"746.51196","Adduct type":"[M-H]-","Fill %":"0.807","MS/MS assigned":"TRUE","Reference RT":"9.48","Reference m/z":"746.513","Formula":"C43H74NO7P","Ontology":"EtherPE","INCHIKEY":"QXCZJYCCKCJFSD-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"74.9","Reverse dot product":"61.1","Fragment presence %":"100","S/N average":"5804.48","Spectrum reference file name":"210226_Hamze_MM-1835_051n","MS1 isotopic spectrum":"746.51288:10897909 747.51623:9548553 748.51959:2765021","MS/MS spectrum":"124.01698:10013 140.01201:59763 152.99615:10926 178.27263:59636 196.03656:59172 205.1954:57248 255.23141:84768 256.23694:17215 259.24463:275911 263.23859:13179 279.23489:24046 280.23456:32804 281.24466:35791 282.24493:14871 283.24548:23515 285.22116:19494 301.21957:14939 303.23349:2620508 327.2309:36024 329.24857:18212 399.23306:16295 442.27045:188506 460.27863:459995 667.81769:9580 746.51099:22282"},{"Metabolite":"PE O-38:8|PE O-16:2_22:6","Alignment ID":"2719","Average Rt(min)":"10.865","Average Mz":"744.49658","Adduct type":"[M-H]-","Fill %":"0.793","MS/MS assigned":"TRUE","Reference RT":"9.22","Reference m/z":"744.49738","Formula":"C43H72NO7P","Ontology":"EtherPE","INCHIKEY":"AMPKKDPDCOVUSA-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCC=CCCCCCC)COP(=O)(O)OCCN)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"32.2","Reverse dot product":"48.7","Fragment presence %":"100","S/N average":"59.96","Spectrum reference file name":"210226_Hamze_MM-1835_035n","MS1 isotopic spectrum":"744.49738:1163805 745.50073:1139924 746.50409:569989","MS/MS spectrum":"94.24651:4324 111.55701:5131 140.01033:10262 145.6389:6942 178.24208:30831 203.70465:8128 229.1971:9142 279.23007:28303 280.23474:23074 283.24054:37586 303.2337:12706 327.23111:58318 336.28073:9297 416.26398:12561 434.26221:34051 687.55267:16271"},{"Metabolite":"PE O-39:5|PE O-19:1_20:4","Alignment ID":"2905","Average Rt(min)":"13.02","Average Mz":"764.55994","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"11.47","Reference m/z":"764.56","Formula":"C44H80NO7P","Ontology":"EtherPE","INCHIKEY":"BJNFZENODOCJEW-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"78.4","Reverse dot product":"61","Fragment presence %":"100","S/N average":"737.96","Spectrum reference file name":"210226_Hamze_MM-1835_121n","MS1 isotopic spectrum":"764.56006:6067769 765.56341:5933903 766.56677:2053945","MS/MS spectrum":"125.09605:21762 140.01019:32007 162.37296:7870 171.89372:8766 196.0365:32861 205.19536:27099 228.17578:9362 255.23572:13751 259.24457:130419 281.24963:44099 283.26587:9879 289.29837:21815 295.81491:8960 301.21948:11067 303.2334:1522750 331.26544:9453 460.32092:89426 478.32916:266044 544.81696:10121 764.57025:13245"},{"Metabolite":"PE O-39:6|PE O-17:1_22:5","Alignment ID":"2882","Average Rt(min)":"12.189","Average Mz":"762.54474","Adduct type":"[M-H]-","Fill %":"0.552","MS/MS assigned":"TRUE","Reference RT":"10.27","Reference m/z":"762.54431","Formula":"C44H78NO7P","Ontology":"EtherPE","INCHIKEY":"PYMLHWKEUVUNIM-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"32.5","Reverse dot product":"71","Fragment presence %":"100","S/N average":"383.33","Spectrum reference file name":"210226_Hamze_MM-1835_041n","MS1 isotopic spectrum":"762.54462:3478809 763.54797:3143442 764.55133:867657","MS/MS spectrum":"97.30748:5884 121.16811:6455 135.59082:8250 140.0121:38430 146.25035:7430 148.93002:8354 156.23691:7012 178.26762:29738 192.62213:8291 196.03668:24003 231.21089:9582 253.25548:15126 255.23157:40611 259.24033:55489 275.81497:8838 279.27014:12043 285.25754:58527 303.23367:504194 327.23108:21888 329.24875:637278 432.28677:47469 450.29761:112685 458.30264:37848 476.31418:84458 554.37604:10242 692.33929:9429 762.53217:19620"},{"Metabolite":"PE O-40:1|PE O-18:0_22:1","Alignment ID":"3093","Average Rt(min)":"15.398","Average Mz":"786.63904","Adduct type":"[M-H]-","Fill %":"0.593","MS/MS assigned":"TRUE","Reference RT":"13.23","Reference m/z":"786.63818","Formula":"C45H90NO7P","Ontology":"EtherPE","INCHIKEY":"XFXLPXVFBLJZGM-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"72.4","Reverse dot product":"92.8","Fragment presence %":"100","S/N average":"737.38","Spectrum reference file name":"210226_Hamze_MM-1835_071n","MS1 isotopic spectrum":"786.63898:1422942 787.64233:976799 788.64569:424221","MS/MS spectrum":"112.53496:5740 116.86675:6291 121.31715:5812 122.72963:6102 133.69197:6822 136.04965:7332 139.00714:9592 152.56232:7499 168.04224:42716 175.00114:9005 178.27269:11159 202.29164:9002 250.64903:8647 255.23151:11821 281.24982:10748 309.28122:95051 337.30923:310148 338.31589:18940 466.32812:34723 786.64697:134783"},{"Metabolite":"PE O-40:2|PE O-18:1_22:1","Alignment ID":"3079","Average Rt(min)":"15.22","Average Mz":"784.62134","Adduct type":"[M-H]-","Fill %":"0.566","MS/MS assigned":"TRUE","Reference RT":"13.12","Reference m/z":"784.62262","Formula":"C45H88NO7P","Ontology":"EtherPE","INCHIKEY":"RKRYLPRHFNWQBD-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"53.9","Reverse dot product":"82.9","Fragment presence %":"100","S/N average":"168.66","Spectrum reference file name":"210226_Hamze_MM-1835_103n","MS1 isotopic spectrum":"784.6236:958112 785.62695:834089 786.63031:1114741","MS/MS spectrum":"100.5146:5523 105.16222:5736 109.1524:5508 115.494:5869 134.11955:7001 136.78355:7110 140.01205:7640 168.04224:10810 178.27014:24252 277.9917:8152 279.23001:26411 283.26605:11146 309.28122:103207 337.30927:334925 339.32697:14740 365.34369:19030 446.30255:18892 464.31281:27621 492.34482:12412 784.63727:35984"},{"Metabolite":"PE O-40:2|PE O-22:0_18:2","Alignment ID":"3080","Average Rt(min)":"14.777","Average Mz":"784.62292","Adduct type":"[M-H]-","Fill %":"0.8","MS/MS assigned":"TRUE","Reference RT":"13.14","Reference m/z":"784.62262","Formula":"C45H88NO7P","Ontology":"EtherPE","INCHIKEY":"OWERZQATPMJCNH-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"69.8","Reverse dot product":"79.3","Fragment presence %":"100","S/N average":"67.61","Spectrum reference file name":"210226_Hamze_MM-1835_088n","MS1 isotopic spectrum":"784.62329:992678 785.62664:882270 786.63:222310","MS/MS spectrum":"130.95628:6681 140.01204:7520 148.77397:6824 178.27011:33826 188.43204:8401 194.74048:8860 196.87328:8228 198.84547:7538 238.0043:8705 279.23495:669379 307.26462:28401 504.38455:21270 522.39093:68658 784.63715:50454"},{"Metabolite":"PE O-40:3|PE O-18:0_22:3","Alignment ID":"3059","Average Rt(min)":"14.048","Average Mz":"782.60699","Adduct type":"[M-H]-","Fill %":"0.814","MS/MS assigned":"TRUE","Reference RT":"12.94","Reference m/z":"782.60687","Formula":"C45H86NO7P","Ontology":"EtherPE","INCHIKEY":"FNXDZKBWSLCLGM-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCC=CCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"55.5","Reverse dot product":"83.8","Fragment presence %":"100","S/N average":"233.11","Spectrum reference file name":"210226_Hamze_MM-1835_099n","MS1 isotopic spectrum":"782.60754:2681266 783.61089:3201157 784.61425:736763","MS/MS spectrum":"101.46913:5362 114.03532:5718 178.27261:25866 189.92664:7755 245.32013:7760 253.90565:9087 305.25049:162196 333.28146:355685 448.32373:20190 466.32794:44472 494.36829:22169 565.51428:9748 782.61139:38370"},{"Metabolite":"PE O-40:3|PE O-20:0_20:3","Alignment ID":"3060","Average Rt(min)":"14.347","Average Mz":"782.60767","Adduct type":"[M-H]-","Fill %":"0.641","MS/MS assigned":"TRUE","Reference RT":"13.15","Reference m/z":"782.60687","Formula":"C45H86NO7P","Ontology":"EtherPE","INCHIKEY":"NNDUYFBIZRLRNT-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"35","Reverse dot product":"84.3","Fragment presence %":"100","S/N average":"107.76","Spectrum reference file name":"210226_Hamze_MM-1835_026n","MS1 isotopic spectrum":"782.60815:1594795 783.6115:2149950 784.61486:879986","MS/MS spectrum":"96.03287:6073 108.99706:5215 112.98492:29583 149.88489:7186 163.04381:7724 178.24458:15906 189.84525:7469 281.24982:173972 301.28143:10638 305.25061:229837 309.28122:63312 333.27505:10440 337.30923:89217 363.32773:13491 494.35669:32232 582.43225:9986 598.15247:10146 620.59772:15746 664.09064:10334 782.61176:25921"},{"Metabolite":"PE O-40:4|PE O-20:0_20:4","Alignment ID":"3045","Average Rt(min)":"13.655","Average Mz":"780.58972","Adduct type":"[M-H]-","Fill %":"0.89","MS/MS assigned":"TRUE","Reference RT":"12.63","Reference m/z":"780.59131","Formula":"C45H84NO7P","Ontology":"EtherPE","INCHIKEY":"ZCGUDUFJPFKWKP-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"56.6","Reverse dot product":"66.9","Fragment presence %":"100","S/N average":"4205.3","Spectrum reference file name":"210226_Hamze_MM-1835_049n","MS1 isotopic spectrum":"780.59143:26445496 781.59478:25065808 782.59814:6995798","MS/MS spectrum":"112.98485:14096 140.01196:43466 163.07498:9775 165.16536:7357 177.09262:8462 191.42203:7513 196.03944:8168 205.19534:87384 214.78812:9780 231.21068:8593 259.24454:438593 279.2348:154749 285.22107:29770 301.21384:11145 303.2334:4673658 304.23367:27144 305.23895:14967 310.81677:8576 331.26541:41425 335.29602:88446 337.30902:9189 361.30597:11559 433.31113:41826 476.3472:312729 494.35635:941721 518.3631:9169 553.78735:10222 710.10071:9613 780.59351:96723"},{"Metabolite":"PE O-40:5|PE O-20:1_20:4","Alignment ID":"3024","Average Rt(min)":"13.5","Average Mz":"778.57373","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"12.1","Reference m/z":"778.57562","Formula":"C45H82NO7P","Ontology":"EtherPE","INCHIKEY":"QVNQNWKELAFJOX-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"42.8","Reverse dot product":"82.4","Fragment presence %":"100","S/N average":"4502.93","Spectrum reference file name":"210226_Hamze_MM-1835_050n","MS1 isotopic spectrum":"778.57581:48812416 779.57916:48690664 780.58252:13943709","MS/MS spectrum":"123.16869:6113 133.17557:7043 157.47278:8538 163.00348:9170 178.2726:12691 185.2756:8635 303.23343:107741 331.26547:79816 484.40704:9831 492.34454:20572 642.94525:11481 778.56036:10199"},{"Metabolite":"PE O-40:6|PE O-18:1_22:5","Alignment ID":"3009","Average Rt(min)":"12.924","Average Mz":"776.55945","Adduct type":"[M-H]-","Fill %":"0.8","MS/MS assigned":"TRUE","Reference RT":"10.69","Reference m/z":"776.56","Formula":"C45H80NO7P","Ontology":"EtherPE","INCHIKEY":"QIJJGYHBXLEBJV-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"33.4","Reverse dot product":"85.9","Fragment presence %":"100","S/N average":"6017.63","Spectrum reference file name":"210226_Hamze_MM-1835_045n","MS1 isotopic spectrum":"776.55969:30788264 777.56304:28624472 778.5664:8449199","MS/MS spectrum":"94.06795:4831 94.30152:4665 103.17946:5016 122.53426:5986 140.01207:7916 151.56573:6773 158.13268:6669 176.48956:7759 178.27271:22269 281.24985:11037 285.25751:29955 303.23361:72172 324.67209:12111 329.24872:121061 331.26569:26077 442.66037:9862 446.30258:10979 464.31287:27317 490.33356:13518 578.67761:9700 638.08972:9394 716.58588:24785 776.55884:16123"},{"Metabolite":"PE O-40:6|PE O-18:2_22:4","Alignment ID":"3007","Average Rt(min)":"12.435","Average Mz":"776.55896","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"10.81","Reference m/z":"776.56","Formula":"C45H80NO7P","Ontology":"EtherPE","INCHIKEY":"PDXZWDHUABEPOF-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"83.8","Reverse dot product":"62.1","Fragment presence %":"100","S/N average":"28385.94","Spectrum reference file name":"210226_Hamze_MM-1835_008n","MS1 isotopic spectrum":"776.56:24609640 777.56335:19003960 778.56671:5337853","MS/MS spectrum":"140.01202:103306 178.2701:38399 179.03668:9806 196.03658:90901 229.19698:10177 233.22829:28828 265.25406:53827 283.24039:29331 284.24622:44993 285.25223:15467 287.27512:216432 297.75284:9310 300.78226:9301 313.25516:25669 327.23093:56890 328.23743:56002 329.24219:40867 331.26556:5760435 333.27499:18512 357.27719:37769 401.24487:22452 444.28464:320458 462.2998:770977 464.31268:21548 465.31332:38382 466.32803:34539 498.07126:10520 581.58789:9140 746.33588:10728 776.55859:56851"},{"Metabolite":"PE O-40:6|PE O-20:2_20:4","Alignment ID":"3008","Average Rt(min)":"12.606","Average Mz":"776.55914","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"11.32","Reference m/z":"776.56","Formula":"C45H80NO7P","Ontology":"EtherPE","INCHIKEY":"OJBJBOSRWZMIDB-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"7.5","Reverse dot product":"93","Fragment presence %":"100","S/N average":"35159.68","Spectrum reference file name":"210226_Hamze_MM-1835_029n","MS1 isotopic spectrum":"776.55969:53206400 777.56304:55081496 778.5664:16239091","MS/MS spectrum":"140.01208:43914 147.1163:9321 168.04225:8702 175.14792:9041 177.16618:14627 196.03665:47055 229.19707:50651 231.21086:10747 233.18633:9151 247.53404:9848 249.18559:14526 259.2403:17901 267.26938:10004 281.24985:83418 282.25018:133336 283.24561:269541 284.26175:74003 285.2627:109709 286.27411:19129 287.27524:41939 303.23364:196004 305.25064:16276 313.29102:15865 327.23105:474378 328.23755:10307 329.24872:778590 331.26569:1055866 357.27734:109706 381.84518:8897 418.27728:10759 431.68906:8665 436.28043:19035 444.28479:56198 446.30261:54012 448.32397:109288 462.29999:144044 464.31287:141910 466.32822:276428 490.33356:34409 591.65607:9627 637.24255:9609 716.58588:23886 776.5589:64201"},{"Metabolite":"PE O-40:7|PE O-18:2_22:5","Alignment ID":"2988","Average Rt(min)":"12.339","Average Mz":"774.54565","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"10.06","Reference m/z":"774.54431","Formula":"C45H78NO7P","Ontology":"EtherPE","INCHIKEY":"MERDTQWSAMFCRO-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"12.4","Reverse dot product":"86.6","Fragment presence %":"100","S/N average":"51077.45","Spectrum reference file name":"210226_Hamze_MM-1835_142n","MS1 isotopic spectrum":"774.54523:259538672 775.54858:312748064 776.55194:96313648","MS/MS spectrum":"140.01196:35645 149.13304:9159 177.16605:13316 177.5439:7891 191.18056:15203 196.0365:39298 202.72159:10475 229.19688:56266 249.18539:19388 267.26917:23206 279.23483:65179 280.2345:18845 281.24457:37612 282.24997:13505 283.24539:245199 285.25729:43431 293.21021:54903 295.22583:20247 297.24585:20937 303.2334:25417 311.22314:56909 327.2308:434082 329.24847:153860 444.29453:13039 446.30225:107859 462.29962:47172 464.3125:265397 488.41528:10134 774.54077:23969"},{"Metabolite":"PE O-40:7|PE O-20:3_20:4","Alignment ID":"2987","Average Rt(min)":"11.826","Average Mz":"774.54309","Adduct type":"[M-H]-","Fill %":"0.945","MS/MS assigned":"TRUE","Reference RT":"10.17","Reference m/z":"774.54431","Formula":"C45H78NO7P","Ontology":"EtherPE","INCHIKEY":"VVVRNAHHKRLOGX-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"46.5","Reverse dot product":"93.8","Fragment presence %":"100","S/N average":"5897.49","Spectrum reference file name":"210226_Hamze_MM-1835_027n","MS1 isotopic spectrum":"774.54291:20318264 775.54626:17920730 776.54962:4263938","MS/MS spectrum":"140.01207:294659 141.01534:13183 162.13783:7104 168.04224:13295 170.40576:10522 178.27014:40991 196.03664:37197 199.00217:7300 205.1955:19665 224.06894:8029 259.24475:80589 265.25412:10027 279.23502:174810 280.23468:322845 281.23972:292163 282.24506:129780 283.26605:63043 284.26688:108366 285.22644:13876 285.26782:110307 286.27408:46701 287.27521:13464 303.23361:885851 327.23102:12894 329.24869:454920 331.26566:38233 367.16492:9526 444.28476:32981 462.29996:97602 470.29984:67325 488.31134:182444 505.28589:19730 506.28726:39352 657.28961:8698 774.56445:479392"},{"Metabolite":"PE O-40:8|PE O-18:3_22:5","Alignment ID":"2970","Average Rt(min)":"11.613","Average Mz":"772.52979","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"9.77","Reference m/z":"772.52869","Formula":"C45H76NO7P","Ontology":"EtherPE","INCHIKEY":"FSSTYLSAGJOPTB-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"4.5","Reverse dot product":"88.9","Fragment presence %":"100","S/N average":"12731.2","Spectrum reference file name":"210226_Hamze_MM-1835_057n","MS1 isotopic spectrum":"772.52765:198016768 773.531:232579056 774.53436:61076172","MS/MS spectrum":"117.07051:9023 121.10224:22342 133.10144:26994 135.11739:13079 137.13292:10727 140.0103:100440 147.1163:13356 149.13316:22926 161.13396:12703 163.07513:14805 163.14894:21788 168.04227:41492 175.15042:14781 177.16365:73849 179.03419:10767 181.1228:8629 187.15005:10642 189.16464:13873 191.18071:30123 196.03667:164948 203.1812:11512 229.19707:157422 241.19392:15959 249.18559:36790 255.23592:19176 258.77036:8901 265.25415:60280 270.24966:15643 279.23004:48584 280.23471:42828 281.24481:17161 283.24051:929669 285.25754:36734 303.22797:13909 305.24493:11816 306.24945:10313 307.25317:10952 309.22287:9644 323.64444:9077 327.23105:1328960 329.24872:144456 337.23615:10165 401.24503:30670 413.33414:8535 435.56708:8813 442.27069:12044 444.28482:331146 460.2789:41718 462.29999:909111 696.99817:9984 715.57776:214162 759.66895:10462 772.53174:27980"},{"Metabolite":"PE O-40:9|PE O-18:3_22:6","Alignment ID":"2954","Average Rt(min)":"11.029","Average Mz":"770.51111","Adduct type":"[M-H]-","Fill %":"0.959","MS/MS assigned":"TRUE","Reference RT":"9.46","Reference m/z":"770.513","Formula":"C45H74NO7P","Ontology":"EtherPE","INCHIKEY":"PGMAUSGKQUIFJI-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"21.6","Reverse dot product":"65","Fragment presence %":"100","S/N average":"3231.3","Spectrum reference file name":"210226_Hamze_MM-1835_036n","MS1 isotopic spectrum":"770.51202:9852947 771.51537:12749919 772.51873:3724066","MS/MS spectrum":"121.10226:17758 133.10312:8450 137.13293:9378 140.0121:55734 148.92809:11570 149.13319:19701 152.99423:7065 161.13179:7928 163.07739:8824 163.14897:15421 168.0423:24272 169.04782:11091 170.04811:8343 177.16368:29184 189.16467:10565 191.18076:26443 196.0367:72031 197.56625:8299 203.18123:9097 207.20155:8676 224.069:22096 225.06989:13084 226.07384:17545 229.19711:107705 249.18564:33561 255.2316:136742 256.18869:9460 256.23712:239015 257.23975:184376 258.24384:70464 259.24481:50178 260.24713:48316 261.25073:28218 262.25104:9963 283.24057:524096 303.2337:194689 304.23401:380198 305.23926:392302 306.24374:200576 307.24744:44013 309.2171:11670 312.76184:8585 327.23111:723158 345.73856:9597 399.23337:22531 442.27075:196637 460.27896:473612 482.31943:18762 483.32184:17369 484.31592:10687 770.53009:23449"},{"Metabolite":"PE O-41:3|PE O-18:2_23:1","Alignment ID":"3183","Average Rt(min)":"14.847","Average Mz":"796.62854","Adduct type":"[M-H]-","Fill %":"0.69","MS/MS assigned":"TRUE","Reference RT":"13.11","Reference m/z":"796.62262","Formula":"C46H88NO7P","Ontology":"EtherPE","INCHIKEY":"MYHDKIBAHVAMBK-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"49","Reverse dot product":"49","Fragment presence %":"100","S/N average":"56.17","Spectrum reference file name":"210226_Hamze_MM-1835_047n","MS1 isotopic spectrum":"796.62567:895303 797.62902:839841 798.63238:205699","MS/MS spectrum":"112.98486:44360 117.24471:6963 139.85913:6873 143.04706:6889 150.01494:7517 153.83261:7064 159.28105:6778 178.2726:31048 183.60547:8390 276.51447:9408 279.23486:10669 281.24966:21168 283.2659:30586 305.25046:71418 309.28107:10553 337.31573:14591 351.32703:255849 358.77545:7949 444.28452:11837 462.29968:23583 468.24756:10243 469.26096:9878"},{"Metabolite":"PE O-41:4|PE O-19:0_22:4","Alignment ID":"3156","Average Rt(min)":"13.827","Average Mz":"794.61194","Adduct type":"[M-H]-","Fill %":"0.959","MS/MS assigned":"TRUE","Reference RT":"12.81","Reference m/z":"794.60687","Formula":"C46H86NO7P","Ontology":"EtherPE","INCHIKEY":"ORCMXEAMQVWXAK-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"25.8","Reverse dot product":"83.4","Fragment presence %":"100","S/N average":"259.49","Spectrum reference file name":"210226_Hamze_MM-1835_035n","MS1 isotopic spectrum":"794.60962:1035943 795.61297:1075770 796.61633:287379","MS/MS spectrum":"93.56939:4177 104.76507:5146 107.68104:5127 112.98496:103542 119.96279:6433 136.85748:5823 156.47832:7050 159.60544:7966 192.21805:8898 193.41971:7512 259.24481:11893 283.26614:50297 303.2337:139548 311.29419:42249 331.26575:127886 427.93869:8372 465.24893:28109 465.58313:8774 466.25262:28190 480.34656:15731 702.48346:11447 794.59546:13290"},{"Metabolite":"PE O-41:4|PE O-21:0_20:4","Alignment ID":"3157","Average Rt(min)":"14.012","Average Mz":"794.61243","Adduct type":"[M-H]-","Fill %":"0.766","MS/MS assigned":"TRUE","Reference RT":"13.06","Reference m/z":"794.60687","Formula":"C46H86NO7P","Ontology":"EtherPE","INCHIKEY":"JCOWRMYCUVBXAN-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"26.9","Reverse dot product":"74.5","Fragment presence %":"100","S/N average":"166.62","Spectrum reference file name":"210226_Hamze_MM-1835_062n","MS1 isotopic spectrum":"794.61139:1315458 795.61474:1430182 796.6181:189052","MS/MS spectrum":"106.95766:5358 109.80058:5703 125.37003:6242 158.73868:6832 183.45615:7362 193.70885:8453 255.23598:11382 259.24481:22742 279.2301:15085 281.24487:10442 283.26105:65962 303.2337:244272 305.245:28864 331.26575:16898 347.29684:10070 361.31375:30218 451.08868:9407 465.24896:68180 466.25262:97400 490.36865:13951 508.37317:27317 555.80841:10043 770.27753:10991 794.59546:11612"},{"Metabolite":"PE O-41:5|PE O-21:1_20:4","Alignment ID":"3139","Average Rt(min)":"13.996","Average Mz":"792.58917","Adduct type":"[M-H]-","Fill %":"0.862","MS/MS assigned":"TRUE","Reference RT":"12.58","Reference m/z":"792.59131","Formula":"C46H84NO7P","Ontology":"EtherPE","INCHIKEY":"LBXXVPQCMRYNOZ-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"45.2","Reverse dot product":"71.3","Fragment presence %":"100","S/N average":"134.21","Spectrum reference file name":"210226_Hamze_MM-1835_071n","MS1 isotopic spectrum":"792.58954:919711 793.59289:712323 794.59625:710844","MS/MS spectrum":"99.53185:6384 111.30187:6182 117.98155:6514 142.16035:8766 165.9913:8383 190.97083:8273 192.96411:10651 206.45734:8643 255.23151:35432 259.24472:30082 275.57898:8905 281.24982:19400 283.26093:9554 303.23358:303102 324.88574:9263 382.68771:9623 463.40106:10872 482.77451:9120 488.35767:12399 506.36063:49425 620.11658:9267 673.52411:9592 792.60284:10242"},{"Metabolite":"PE O-41:7|PE O-19:1_22:6","Alignment ID":"3108","Average Rt(min)":"12.793","Average Mz":"788.55841","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"10.91","Reference m/z":"788.56","Formula":"C46H80NO7P","Ontology":"EtherPE","INCHIKEY":"LMODRHQVKHDWTE-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"45.9","Reverse dot product":"48.4","Fragment presence %":"100","S/N average":"533.99","Spectrum reference file name":"210226_Hamze_MM-1835_062n","MS1 isotopic spectrum":"788.55975:1602490 789.5631:1693528 790.56646:547760","MS/MS spectrum":"91.10697:4299 99.44665:5083 102.31843:5014 119.80354:7592 127.03377:7205 134.71191:7601 136.37401:6460 139.07936:6723 140.80704:7021 142.22958:8087 162.19998:8654 178.24721:17509 191.98079:8833 196.0367:9825 229.19711:12463 255.2316:9794 281.24991:27361 282.25024:10717 283.24057:71284 327.23111:108285 460.32138:19720 478.32965:57082"},{"Metabolite":"PE O-42:1|PE O-20:0_22:1","Alignment ID":"3334","Average Rt(min)":"16.375","Average Mz":"814.66956","Adduct type":"[M-H]-","Fill %":"0.572","MS/MS assigned":"TRUE","Reference RT":"13.36","Reference m/z":"814.66949","Formula":"C47H94NO7P","Ontology":"EtherPE","INCHIKEY":"MTPYXRVLESFUOZ-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"58.2","Reverse dot product":"85.9","Fragment presence %":"100","S/N average":"135.34","Spectrum reference file name":"210226_Hamze_MM-1835_060n","MS1 isotopic spectrum":"814.66949:637050 815.67284:580679 816.6762:0","MS/MS spectrum":"100.12086:5445 101.37708:5306 106.53019:6057 115.38748:5559 119.32766:5836 128.22891:6383 138.11755:8189 152.96375:7876 253.16031:9641 281.24484:9731 291.54645:8767 309.28131:33112 337.30933:175132 365.34375:13687 494.35684:20554 543.23706:9837 761.13239:9759 814.68884:23430"},{"Metabolite":"PE O-42:2|PE O-18:0_24:2","Alignment ID":"3320","Average Rt(min)":"15.456","Average Mz":"812.6524","Adduct type":"[M-H]-","Fill %":"0.593","MS/MS assigned":"TRUE","Reference RT":"13.29","Reference m/z":"812.65387","Formula":"C47H92NO7P","Ontology":"EtherPE","INCHIKEY":"FTKJHADKYOVNJL-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCC=CCC=CCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"53.1","Reverse dot product":"79.8","Fragment presence %":"100","S/N average":"62.26","Spectrum reference file name":"210226_Hamze_MM-1835_109n","MS1 isotopic spectrum":"812.65326:709503 813.65661:651811 814.65997:421858","MS/MS spectrum":"103.83073:6286 115.65678:5710 122.69464:6149 136.81624:5702 152.67978:7045 178.24464:11642 240.17963:9137 279.2301:11626 281.24991:126933 309.28134:9673 337.30936:27091 363.32785:274197 448.31387:12102 466.32831:25858 812.67035:21218"},{"Metabolite":"PE O-42:4|PE O-20:0_22:4","Alignment ID":"3287","Average Rt(min)":"14.346","Average Mz":"808.62061","Adduct type":"[M-H]-","Fill %":"0.945","MS/MS assigned":"TRUE","Reference RT":"13.09","Reference m/z":"808.62262","Formula":"C47H88NO7P","Ontology":"EtherPE","INCHIKEY":"YNXXHVUXDXQGCH-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"59.3","Reverse dot product":"74.8","Fragment presence %":"100","S/N average":"491.09","Spectrum reference file name":"210226_Hamze_MM-1835_079n","MS1 isotopic spectrum":"808.62305:3694960 809.6264:3717420 810.62976:1363384","MS/MS spectrum":"112.98485:7473 127.96573:6171 170.82916:7714 303.2334:12148 323.95697:10213 331.26541:316736 359.29401:29866 476.34723:20263 494.36819:45180 599.67859:10168 808.63013:14755"},{"Metabolite":"PE O-42:4|PE O-22:0_20:4","Alignment ID":"3288","Average Rt(min)":"14.663","Average Mz":"808.62244","Adduct type":"[M-H]-","Fill %":"0.966","MS/MS assigned":"TRUE","Reference RT":"13.18","Reference m/z":"808.62262","Formula":"C47H88NO7P","Ontology":"EtherPE","INCHIKEY":"DJMQQKCABHGMDM-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"46","Reverse dot product":"77.7","Fragment presence %":"100","S/N average":"326.93","Spectrum reference file name":"210226_Hamze_MM-1835_134n","MS1 isotopic spectrum":"808.62262:2085384 809.62597:2021565 810.62933:0","MS/MS spectrum":"94.19643:5285 97.26421:4740 137.90344:6177 143.09496:8179 178.2702:30783 233.46571:8429 259.24033:20773 279.20004:15088 279.23511:69215 303.2337:253979 361.31375:79396 504.37265:15901 522.39124:59064 767.75879:9860 808.63098:16494"},{"Metabolite":"PE O-42:5|PE O-18:1_24:4","Alignment ID":"3271","Average Rt(min)":"13.988","Average Mz":"806.60718","Adduct type":"[M-H]-","Fill %":"0.538","MS/MS assigned":"TRUE","Reference RT":"12.45","Reference m/z":"806.60687","Formula":"C47H86NO7P","Ontology":"EtherPE","INCHIKEY":"RVEHLKIKQWWOOD-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"81.9","Reverse dot product":"61","Fragment presence %":"100","S/N average":"1749.2","Spectrum reference file name":"210226_Hamze_MM-1835_021n","MS1 isotopic spectrum":"806.60596:5282500 807.60931:5956692 808.61267:1805195","MS/MS spectrum":"140.01212:29382 173.54385:8722 196.0367:28280 255.2316:16049 267.26944:13500 305.25073:69155 315.30115:18344 329.24878:26643 331.26575:8862 333.28171:30557 359.29437:2020263 361.30637:10445 431.36191:9759 446.3027:94039 464.31299:196980 494.36868:14129 518.36365:11160 637.0528:10352 806.61029:17238"},{"Metabolite":"PE O-42:5|PE O-20:1_22:4","Alignment ID":"3270","Average Rt(min)":"14.185","Average Mz":"806.60443","Adduct type":"[M-H]-","Fill %":"0.607","MS/MS assigned":"TRUE","Reference RT":"12.69","Reference m/z":"806.60687","Formula":"C47H86NO7P","Ontology":"EtherPE","INCHIKEY":"UHBGRAUZSXSWBO-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"81.4","Reverse dot product":"61.7","Fragment presence %":"100","S/N average":"973.62","Spectrum reference file name":"210226_Hamze_MM-1835_059n","MS1 isotopic spectrum":"806.60541:5343716 807.60876:5926691 808.61212:1723854","MS/MS spectrum":"140.01031:30496 178.24718:38868 180.00264:9022 196.03667:31767 233.22458:11684 255.23157:11334 270.72733:8694 287.27527:53016 295.29691:15028 305.24496:13722 317.42776:9687 331.26572:1728776 359.29434:34718 474.33362:94343 492.34491:218099 806.61017:17169"},{"Metabolite":"PE O-42:5|PE O-22:1_20:4","Alignment ID":"3269","Average Rt(min)":"14.498","Average Mz":"806.60443","Adduct type":"[M-H]-","Fill %":"0.814","MS/MS assigned":"TRUE","Reference RT":"12.8","Reference m/z":"806.60687","Formula":"C47H86NO7P","Ontology":"EtherPE","INCHIKEY":"HZKJVUODVASPTC-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"79.4","Reverse dot product":"60.2","Fragment presence %":"100","S/N average":"614.03","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"806.60754:6821774 807.61089:7493736 808.61425:2029004","MS/MS spectrum":"140.01201:38336 178.24452:19869 196.03656:47206 205.1954:48075 231.21075:10396 243.13187:9106 255.23141:10307 259.24463:209352 285.22116:11013 287.97168:8362 303.23349:2317970 322.02499:10226 323.33194:32962 331.26553:13812 459.3259:10010 502.37152:145859 513.04449:10411 520.38397:413579 806.60968:18983"},{"Metabolite":"PE O-42:6|PE O-20:0_22:6","Alignment ID":"3256","Average Rt(min)":"13.43","Average Mz":"804.59174","Adduct type":"[M-H]-","Fill %":"0.848","MS/MS assigned":"TRUE","Reference RT":"12.21","Reference m/z":"804.59131","Formula":"C47H84NO7P","Ontology":"EtherPE","INCHIKEY":"CQIPPLYYEQYRAX-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"43.3","Reverse dot product":"68.4","Fragment presence %":"100","S/N average":"3867.23","Spectrum reference file name":"210226_Hamze_MM-1835_024n","MS1 isotopic spectrum":"804.59174:20271092 805.59509:16103259 806.59845:4808628","MS/MS spectrum":"121.10224:11965 133.10144:13004 140.01208:35548 147.1163:12126 161.13174:9725 163.14894:13818 168.04225:30472 175.14792:12314 177.16365:37374 178.27272:17908 180.61613:8188 189.16743:9628 191.18071:19808 193.12253:9709 203.18118:10738 229.19707:141388 249.18559:38720 255.23592:12407 281.24988:12961 283.24561:815143 309.22287:13735 310.28818:9741 327.23105:1276854 329.24872:15116 331.26569:24083 333.18369:10630 347.85336:10105 357.27734:35329 359.29431:13918 433.31149:37116 476.3476:280562 494.35678:762293 699.55389:9965 804.59698:58115"},{"Metabolite":"PE O-42:7|PE O-20:1_22:6","Alignment ID":"3233","Average Rt(min)":"13.269","Average Mz":"802.57471","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"11.61","Reference m/z":"802.57562","Formula":"C47H82NO7P","Ontology":"EtherPE","INCHIKEY":"GWWKPJFGKBNJDJ-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"39","Reverse dot product":"63.6","Fragment presence %":"100","S/N average":"8479.12","Spectrum reference file name":"210226_Hamze_MM-1835_071n","MS1 isotopic spectrum":"802.57495:43419056 803.5783:51924660 804.58166:14531667","MS/MS spectrum":"102.0146:5686 108.82133:6373 114.59968:5891 118.83234:6229 121.10223:6363 140.01205:30766 149.13313:8867 177.16362:13455 181.12277:9770 196.03662:42644 229.19702:54758 249.18555:23573 255.23589:15670 279.23502:25100 283.24557:307474 295.30228:16016 327.23099:453077 474.33353:104414 492.34479:296817 802.59125:12958"},{"Metabolite":"PE O-42:8|PE O-20:2_22:6","Alignment ID":"3216","Average Rt(min)":"12.399","Average Mz":"800.55896","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"10.71","Reference m/z":"800.56","Formula":"C47H80NO7P","Ontology":"EtherPE","INCHIKEY":"YOXLQGPESXHTCE-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"20.8","Reverse dot product":"65.3","Fragment presence %":"100","S/N average":"891.23","Spectrum reference file name":"210226_Hamze_MM-1835_047n","MS1 isotopic spectrum":"800.56012:5221288 801.56347:6392892 802.56683:1991078","MS/MS spectrum":"135.32156:6621 140.01198:18985 168.04214:78103 175.1503:8077 177.16606:17303 178.27005:80332 196.03653:35317 229.19691:52312 249.18542:15743 280.2345:12805 281.24966:12178 283.24542:256847 293.28571:22375 305.24472:17256 306.255:13898 307.25873:13094 309.28107:16307 327.23083:387292 396.74377:9056 429.28168:10673 472.32098:106437 490.33322:261675 743.60669:468846 800.54401:14341"},{"Metabolite":"PE O-42:9|PE O-20:3_22:6","Alignment ID":"3199","Average Rt(min)":"11.76","Average Mz":"798.54364","Adduct type":"[M-H]-","Fill %":"0.945","MS/MS assigned":"TRUE","Reference RT":"10.02","Reference m/z":"798.54431","Formula":"C47H78NO7P","Ontology":"EtherPE","INCHIKEY":"FPYINRYOMVUKGU-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"49.5","Reverse dot product":"47.5","Fragment presence %":"100","S/N average":"2642.51","Spectrum reference file name":"210226_Hamze_MM-1835_062n","MS1 isotopic spectrum":"798.54413:3620848 799.54748:2817140 800.55084:842146","MS/MS spectrum":"91.51167:4594 96.9406:4970 101.21289:6288 105.1229:4624 120.96502:5842 127.48231:6157 140.01212:18715 158.3871:7009 177.16368:9886 196.0367:31628 225.55284:7256 229.19711:40632 283.24057:175771 291.26874:10686 303.2337:10497 306.24951:11372 327.23111:258870 329.24878:20056 470.29999:64664 488.31149:157104 715.90686:11952"},{"Metabolite":"PE O-44:4|PE O-20:0_24:4","Alignment ID":"3518","Average Rt(min)":"15.348","Average Mz":"836.65741","Adduct type":"[M-H]-","Fill %":"0.641","MS/MS assigned":"TRUE","Reference RT":"13.17","Reference m/z":"836.65387","Formula":"C49H92NO7P","Ontology":"EtherPE","INCHIKEY":"USOCBMRFODZNJW-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"43.5","Reverse dot product":"88.2","Fragment presence %":"100","S/N average":"19.51","Spectrum reference file name":"210226_Hamze_MM-1835_045n","MS1 isotopic spectrum":"836.65479:767673 837.65814:766508 838.6615:204681","MS/MS spectrum":"90.14361:4055 92.04408:4596 96.56658:5643 101.51859:4969 164.40916:7308 177.58467:8434 178.27016:31728 331.26566:81397 359.29428:73372 494.35675:12535 522.39105:12567 836.66998:11992"},{"Metabolite":"PE O-44:4|PE O-24:0_20:4","Alignment ID":"3517","Average Rt(min)":"15.671","Average Mz":"836.65271","Adduct type":"[M-H]-","Fill %":"0.931","MS/MS assigned":"TRUE","Reference RT":"13.25","Reference m/z":"836.65387","Formula":"C49H92NO7P","Ontology":"EtherPE","INCHIKEY":"SMFBUKGEMUCLMP-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"57.6","Reverse dot product":"76.3","Fragment presence %":"100","S/N average":"36.81","Spectrum reference file name":"210226_Hamze_MM-1835_066n","MS1 isotopic spectrum":"836.65204:647843 837.65539:674565 838.65875:248176","MS/MS spectrum":"102.33839:4836 119.79927:5956 120.9564:5416 155.01743:7990 162.54869:9247 303.23358:184266 361.3136:33577 494.1915:8991 550.43109:35194 596.99176:10191 836.66986:10322"},{"Metabolite":"PE O-44:6|PE O-22:0_22:6","Alignment ID":"3485","Average Rt(min)":"14.462","Average Mz":"832.62317","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"12.96","Reference m/z":"832.62262","Formula":"C49H88NO7P","Ontology":"EtherPE","INCHIKEY":"LNWWSUIQAHZOKN-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"35","Reverse dot product":"78.2","Fragment presence %":"100","S/N average":"270.85","Spectrum reference file name":"210226_Hamze_MM-1835_071n","MS1 isotopic spectrum":"832.62329:2457072 833.62664:1964950 834.63:521274","MS/MS spectrum":"128.94907:6902 143.8718:6553 158.60558:7363 159.89156:7307 161.74178:7314 168.04224:14655 174.41354:7423 195.44267:8028 229.19702:13369 281.24982:16012 283.24557:64030 303.23358:10529 327.23099:79279 340.46402:11169 402.11798:8985 477.802:11296 504.38464:22230 522.39099:51045 772.64691:15494 832.60553:10319"},{"Metabolite":"PE O-44:7|PE O-22:1_22:6","Alignment ID":"3466","Average Rt(min)":"14.262","Average Mz":"830.6073","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"12.47","Reference m/z":"830.60687","Formula":"C49H86NO7P","Ontology":"EtherPE","INCHIKEY":"CSMBIDUEPDMGNC-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"40.1","Reverse dot product":"67","Fragment presence %":"100","S/N average":"127.55","Spectrum reference file name":"210226_Hamze_MM-1835_025n","MS1 isotopic spectrum":"830.6084:6448902 831.61175:5642126 832.61511:1701427","MS/MS spectrum":"140.01207:14866 154.93459:9691 158.38705:6890 174.87695:9334 186.1725:7604 196.03664:10663 211.96719:11151 227.56654:8498 229.19705:30100 279.23001:21720 283.24048:131550 287.35889:7986 309.64948:12116 327.23102:196354 502.37173:47008 520.38422:131659 830.62292:9130"},{"Metabolite":"PE O-44:8|PE O-22:2_22:6","Alignment ID":"3442","Average Rt(min)":"13.293","Average Mz":"828.59149","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"11.83","Reference m/z":"828.59131","Formula":"C49H84NO7P","Ontology":"EtherPE","INCHIKEY":"RQEHIOFKXKCEHJ-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"29","Reverse dot product":"63.3","Fragment presence %":"100","S/N average":"1474.35","Spectrum reference file name":"210226_Hamze_MM-1835_096n","MS1 isotopic spectrum":"828.59161:19190942 829.59496:21373520 830.59832:7022284","MS/MS spectrum":"101.02396:18072 113.02488:7781 119.03423:13429 121.1022:8643 140.01202:40092 143.03424:6898 161.28552:6799 163.14888:17287 168.04219:37378 175.14786:8100 177.16357:20376 178.2701:56153 185.0295:7351 191.1778:11401 196.03658:60155 201.1626:9218 216.3685:8529 229.19698:82751 249.18549:21386 279.23492:20773 281.24976:11599 283.24039:428886 305.25052:14550 321.31268:33590 327.23093:590297 350.33936:17674 457.31378:12880 500.34665:157046 518.36334:441323 606.58081:83847 771.63312:194576 828.59583:20408"},{"Metabolite":"PE O-46:7|PE O-24:1_22:6","Alignment ID":"3708","Average Rt(min)":"15.258","Average Mz":"858.63812","Adduct type":"[M-H]-","Fill %":"0.738","MS/MS assigned":"TRUE","Reference RT":"12.85","Reference m/z":"858.63818","Formula":"C51H90NO7P","Ontology":"EtherPE","INCHIKEY":"BYKBQLUPKVOGLU-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"52.5","Reverse dot product":"48.2","Fragment presence %":"100","S/N average":"13.87","Spectrum reference file name":"210226_Hamze_MM-1835_092n","MS1 isotopic spectrum":"858.63843:280660 859.64178:319793 860.64514:137915","MS/MS spectrum":"120.68831:6759 131.78564:6335 135.93893:7849 148.80319:6332 150.89276:7397 264.54581:9162 283.24551:18851 327.23093:29664 548.41223:12114"},{"Metabolite":"PE O-46:8|PE O-24:2_22:6","Alignment ID":"3686","Average Rt(min)":"14.242","Average Mz":"856.62213","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"12.53","Reference m/z":"856.62262","Formula":"C51H88NO7P","Ontology":"EtherPE","INCHIKEY":"YDMTXXOKQXZWKY-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCC=CCCCCCCCCCC)COP(=O)(O)OCCN)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"12.7","Reverse dot product":"82.7","Fragment presence %":"100","S/N average":"61.89","Spectrum reference file name":"210226_Hamze_MM-1835_143n","MS1 isotopic spectrum":"856.62207:1609389 857.62542:1998901 858.62878:631068","MS/MS spectrum":"101.0239:92995 106.42508:6426 113.02352:70376 119.03416:37696 131.03508:10738 143.03415:23495 149.04506:14502 161.04597:21637 168.04208:43350 178.24699:39301 179.0546:19113 196.03647:16096 229.19684:19379 237.22154:13674 263.23846:19687 283.24533:82500 327.23071:128967 335.33551:10890 353.34357:38781 378.37567:48131 394.37012:10199 528.37701:33382 546.39044:96101 602.59021:12835 604.6123:28282 616.59955:17421 634.6076:260575 682.56567:10305 728.59735:11440 796.66681:26683 799.66901:321126 838.62146:29770 856.63782:30352"},{"Metabolite":"PG 30:0|PG 14:0_16:0","Alignment ID":"2191","Average Rt(min)":"9.876","Average Mz":"693.47101","Adduct type":"[M-H]-","Fill %":"0.669","MS/MS assigned":"TRUE","Reference RT":"8.42","Reference m/z":"693.47119","Formula":"C36H71O10P","Ontology":"PG","INCHIKEY":"ZAXBYLHGBBMAAY-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"65.5","Reverse dot product":"85.9","Fragment presence %":"100","S/N average":"82.15","Spectrum reference file name":"210226_Hamze_MM-1835_143n","MS1 isotopic spectrum":"693.47101:3915926 694.47436:3230406 695.47772:600622","MS/MS spectrum":"136.21837:7186 152.99608:232156 171.00667:33166 178.2751:27365 227.03282:10940 227.20187:1243970 227.48158:7851 253.21626:24597 255.23129:707333 277.21674:264531 279.23477:216074 391.22739:25533 413.21646:17248 415.22592:14539 431.21713:14019 433.23358:14034 435.92798:9418 437.23062:20003 449.5798:10325 465.25919:21183 483.27563:32806 693.47437:137756"},{"Metabolite":"PG 31:1|PG 15:0_16:1","Alignment ID":"2311","Average Rt(min)":"16.592","Average Mz":"705.47833","Adduct type":"[M-H]-","Fill %":"0.593","MS/MS assigned":"TRUE","Reference RT":"8.24","Reference m/z":"705.47119","Formula":"C37H71O10P","Ontology":"PG","INCHIKEY":"XINYTKIWPKLZAT-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"81","RT similarity":"99.7","Dot product":"15.9","Reverse dot product":"46.9","Fragment presence %":"100","S/N average":"145.17","Spectrum reference file name":"210226_Hamze_MM-1835_133n","MS1 isotopic spectrum":"705.47607:3988690 706.47942:2166188 707.48278:0","MS/MS spectrum":"152.99423:78345 215.12672:8578 221.20145:7915 241.21809:157645 242.22282:13202 253.21657:89614 254.21892:11249 255.2316:10674 267.2319:86438 268.23376:11892 279.2301:449203 280.23477:51859 281.24994:302549 282.25024:36439 295.26425:10325 377.20926:13720 415.22641:25956 418.24982:10986 475.95728:10179"},{"Metabolite":"PG 32:1|PG 16:0_16:1","Alignment ID":"2459","Average Rt(min)":"9.972","Average Mz":"719.48511","Adduct type":"[M-H]-","Fill %":"0.559","MS/MS assigned":"TRUE","Reference RT":"8.43","Reference m/z":"719.48688","Formula":"C38H73O10P","Ontology":"PG","INCHIKEY":"NOFOTAHTYLXZNV-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"76.1","Reverse dot product":"88.1","Fragment presence %":"100","S/N average":"2918.54","Spectrum reference file name":"210226_Hamze_MM-1835_115n","MS1 isotopic spectrum":"719.4873:18232910 720.49065:15313531 721.49401:2784890","MS/MS spectrum":"96.96927:16589 152.99622:795177 171.00682:161562 178.27014:78244 209.02274:35278 227.03304:82408 227.20207:301444 229.19704:11697 253.21649:5863937 255.23151:3181311 281.24985:677954 283.24557:35056 327.23102:88608 389.20831:23702 391.22772:229131 409.23251:87659 455.24191:26964 463.25125:52707 465.25958:118654 481.26334:21879 483.27606:218325 719.47797:686602"},{"Metabolite":"PG 32:3|PG 14:0_18:3","Alignment ID":"2415","Average Rt(min)":"9.235","Average Mz":"715.45618","Adduct type":"[M-H]-","Fill %":"0.662","MS/MS assigned":"TRUE","Reference RT":"8.08","Reference m/z":"715.45563","Formula":"C38H69O10P","Ontology":"PG","INCHIKEY":"RSCFPDKWNRETDJ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"9.4","Reverse dot product":"81.6","Fragment presence %":"100","S/N average":"54.13","Spectrum reference file name":"210226_Hamze_MM-1835_056n","MS1 isotopic spectrum":"715.45618:1865992 716.45953:1027432 717.46289:355436","MS/MS spectrum":"93.24081:4410 103.10187:5129 110.01211:5276 127.62769:6709 144.76721:6485 147.13931:7434 225.18591:174051 227.20212:55242 251.19962:165340 253.21652:172909 277.21704:54090 279.23505:175862 309.28128:616411 422.05939:9078 488.07977:8909 694.79065:10199 715.45447:20444 715.59833:28402"},{"Metabolite":"PG 33:1|PG 15:0_18:1","Alignment ID":"2605","Average Rt(min)":"10.224","Average Mz":"733.50165","Adduct type":"[M-H]-","Fill %":"0.91","MS/MS assigned":"TRUE","Reference RT":"8.64","Reference m/z":"733.5025","Formula":"C39H75O10P","Ontology":"PG","INCHIKEY":"CAKDJPLPYOYWLK-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"52","Reverse dot product":"88.5","Fragment presence %":"100","S/N average":"702.13","Spectrum reference file name":"210226_Hamze_MM-1835_090n","MS1 isotopic spectrum":"733.50183:6056263 734.50518:4976400 735.50854:1318972","MS/MS spectrum":"152.9962:131338 168.04221:23590 171.00681:33212 184.36653:8208 209.02271:9511 219.28871:8058 227.03299:17434 241.21799:366305 253.21645:40105 255.23148:342524 267.23178:702291 269.25064:100474 279.22995:11328 281.24979:1015082 283.24042:17325 327.23096:33124 377.20908:22162 391.21936:15702 451.25311:22064 469.26117:32233 483.27597:29530 491.27908:10035 599.69464:9778 632.92926:8729 659.52063:90357 733.50024:214705"},{"Metabolite":"PG 33:2|PG 15:0_18:2","Alignment ID":"2579","Average Rt(min)":"9.857","Average Mz":"731.48535","Adduct type":"[M-H]-","Fill %":"0.959","MS/MS assigned":"TRUE","Reference RT":"8.29","Reference m/z":"731.48688","Formula":"C39H73O10P","Ontology":"PG","INCHIKEY":"QMKBWBSGJUWDHU-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"82.2","Reverse dot product":"85.1","Fragment presence %":"100","S/N average":"396.48","Spectrum reference file name":"210226_Hamze_MM-1835_072n","MS1 isotopic spectrum":"731.48535:8277826 732.4887:8746406 733.49206:2806016","MS/MS spectrum":"152.9962:235537 171.00681:84663 178.27524:21249 209.02272:22646 227.03302:59380 241.218:1411012 253.21648:15001 255.23149:44298 265.21701:113272 269.25067:30051 279.23499:4133734 280.23465:17003 295.22601:12848 377.20911:80177 415.21716:11965 451.24286:78790 469.2612:149452 489.26273:30225 507.26715:19017 731.47821:390906"},{"Metabolite":"PG 33:2|PG 16:1_17:1","Alignment ID":"2580","Average Rt(min)":"9.554","Average Mz":"731.48535","Adduct type":"[M-H]-","Fill %":"0.697","MS/MS assigned":"TRUE","Reference RT":"8.2","Reference m/z":"731.48688","Formula":"C39H73O10P","Ontology":"PG","INCHIKEY":"RXDPMCKQCCBDSO-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"72.5","Reverse dot product":"74.1","Fragment presence %":"100","S/N average":"127.35","Spectrum reference file name":"210226_Hamze_MM-1835_090n","MS1 isotopic spectrum":"731.48688:827188 732.49023:797327 733.49359:224541","MS/MS spectrum":"94.62384:4974 96.86886:4602 104.98759:6159 109.56496:5139 112.7069:6068 152.9962:10688 178.27013:15852 216.85458:8629 239.20337:19293 253.21645:160524 267.23178:163715 279.23499:14396 281.24979:21005 731.47815:18193"},{"Metabolite":"PG 33:3|PG 18:1_15:2","Alignment ID":"2559","Average Rt(min)":"9.268","Average Mz":"729.47052","Adduct type":"[M-H]-","Fill %":"0.862","MS/MS assigned":"TRUE","Reference RT":"8.22","Reference m/z":"729.47119","Formula":"C39H71O10P","Ontology":"PG","INCHIKEY":"FFTMGJXUANNBTO-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"76.2","Reverse dot product":"67.1","Fragment presence %":"100","S/N average":"100.08","Spectrum reference file name":"210226_Hamze_MM-1835_069n","MS1 isotopic spectrum":"729.47052:14153052 730.47387:14912039 731.47723:3887143","MS/MS spectrum":"152.99622:80894 171.00443:10553 175.05835:7974 178.28548:8621 184.52794:7453 237.18646:3278081 279.23502:16217 281.24985:3115512 365.90668:9152 390.80435:11021 406.81668:9362 417.45184:8272 447.22522:10190 509.28497:24156 543.6178:10949 683.85095:9440 729.46454:89001"},{"Metabolite":"PG 34:1|PG 16:0_18:1","Alignment ID":"2749","Average Rt(min)":"10.44","Average Mz":"747.5166","Adduct type":"[M-H]-","Fill %":"0.545","MS/MS assigned":"TRUE","Reference RT":"8.76","Reference m/z":"747.51819","Formula":"C40H77O10P","Ontology":"PG","INCHIKEY":"PAZGBAOHGQRCBP-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"81.1","Reverse dot product":"85.1","Fragment presence %":"100","S/N average":"31160.64","Spectrum reference file name":"210226_Hamze_MM-1835_004n","MS1 isotopic spectrum":"747.5188:163130496 748.52215:147717872 749.52551:41361180","MS/MS spectrum":"152.99614:2522004 171.00673:766246 178.24706:210007 209.02261:152984 227.03291:459615 245.04393:32988 253.21635:35294 255.23137:11660141 281.24969:35715440 283.2659:1777558 286.51852:35926 327.23718:141750 391.22751:775522 409.24121:65345 417.24106:103733 419.26154:116727 437.27005:134174 465.25934:669810 483.27579:1288470 491.2789:269440 509.2847:140783 673.48621:31573 747.51929:3440903"},{"Metabolite":"PG 34:2|PG 16:0_18:2","Alignment ID":"2729","Average Rt(min)":"17.472","Average Mz":"745.50909","Adduct type":"[M-H]-","Fill %":"0.566","MS/MS assigned":"TRUE","Reference RT":"8.39","Reference m/z":"745.5025","Formula":"C40H75O10P","Ontology":"PG","INCHIKEY":"ATBOMIWRCZXYSZ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"83.4","RT similarity":"99.6","Dot product":"20.6","Reverse dot product":"59.1","Fragment presence %":"100","S/N average":"165.59","Spectrum reference file name":"210226_Hamze_MM-1835_123n","MS1 isotopic spectrum":"745.50922:1174439 746.51257:1017030 747.51593:0","MS/MS spectrum":"121.63186:5978 128.56464:6106 152.99405:31643 175.71158:8908 178.24445:40719 255.23129:25276 256.23682:17666 259.01163:9418 279.23477:264714 280.23947:29654 281.2496:77970 282.24991:53020 293.24789:13848 295.26392:174628 296.2688:14032 307.26443:190627 308.26733:20455 415.22592:48397 453.12146:8188 510.2113:9560 745.52612:11395"},{"Metabolite":"PG 34:4|PG 16:1_18:3","Alignment ID":"2690","Average Rt(min)":"9.265","Average Mz":"741.47131","Adduct type":"[M-H]-","Fill %":"0.959","MS/MS assigned":"TRUE","Reference RT":"8.13","Reference m/z":"741.47119","Formula":"C40H71O10P","Ontology":"PG","INCHIKEY":"BFIMUUYOALOYGB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"67.7","Reverse dot product":"65.4","Fragment presence %":"100","S/N average":"147.22","Spectrum reference file name":"210226_Hamze_MM-1835_106n","MS1 isotopic spectrum":"741.47131:6037028 742.47466:3958996 743.47802:982231","MS/MS spectrum":"121.47083:7969 134.12959:6159 136.42358:7501 152.99422:30351 178.24208:9246 221.24028:7867 225.98625:8333 251.19965:106537 253.21655:1049334 277.21704:1047021 279.23007:138206 309.28131:12655 328.7106:9193 481.26343:10099 741.47827:27625"},{"Metabolite":"PG 34:5|PG 18:2_16:3","Alignment ID":"2671","Average Rt(min)":"9.148","Average Mz":"739.4541","Adduct type":"[M-H]-","Fill %":"0.945","MS/MS assigned":"TRUE","Reference RT":"7.98","Reference m/z":"739.45563","Formula":"C40H69O10P","Ontology":"PG","INCHIKEY":"MSKXKEDWHSTNHY-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"93.2","RT similarity":"100","Dot product":"50.5","Reverse dot product":"48.3","Fragment presence %":"100","S/N average":"125.66","Spectrum reference file name":"210226_Hamze_MM-1835_072n","MS1 isotopic spectrum":"739.45599:786980 740.45934:691298 741.4627:148576","MS/MS spectrum":"97.32394:5102 99.18095:4563 102.95027:5231 112.98492:173231 113.98831:14413 121.85406:6304 128.37088:6901 152.9962:13372 160.85318:9123 163.69847:7401 205.19548:11573 249.18555:138794 262.99579:10577 279.23499:158713 281.24982:20689 283.26093:18252 319.23273:9106 322.16785:8833 356.61111:8786 366.37302:9382 433.35016:12704 739.53082:18956"},{"Metabolite":"PG 35:1|PG 16:0_19:1","Alignment ID":"2873","Average Rt(min)":"10.816","Average Mz":"761.53467","Adduct type":"[M-H]-","Fill %":"0.559","MS/MS assigned":"TRUE","Reference RT":"9.2","Reference m/z":"761.53381","Formula":"C41H79O10P","Ontology":"PG","INCHIKEY":"VZDFTHUVSLNPEO-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"45","Reverse dot product":"89.3","Fragment presence %":"100","S/N average":"9875.38","Spectrum reference file name":"210226_Hamze_MM-1835_002n","MS1 isotopic spectrum":"761.53381:17082438 762.53716:3179123 763.54052:1586944","MS/MS spectrum":"96.96927:12459 148.91632:29706 152.99622:723222 168.04224:30814 171.00682:102108 209.02272:23295 227.03302:58052 229.19331:13997 255.23151:916652 256.23703:25073 257.2308:11299 267.23181:29595 269.25067:622475 279.23502:11215 281.24982:1768557 283.24045:48532 295.26416:2729109 297.27908:1312965 301.21967:41850 303.23361:20503 327.23102:114549 391.22772:64697 405.24426:34194 433.27267:80690 451.28403:85398 453.27722:23663 465.25958:40752 479.27438:33301 483.27603:98711 497.28464:67921 505.29807:17223 523.30243:18181 687.55243:171001 761.53815:477235"},{"Metabolite":"PG 35:3|PG 17:1_18:2","Alignment ID":"2829","Average Rt(min)":"9.657","Average Mz":"757.50214","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"8.22","Reference m/z":"757.5025","Formula":"C41H75O10P","Ontology":"PG","INCHIKEY":"KRGBDQLFUKCQPF-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"72.4","Reverse dot product":"69.7","Fragment presence %":"100","S/N average":"866.19","Spectrum reference file name":"210226_Hamze_MM-1835_056n","MS1 isotopic spectrum":"757.50214:7692824 758.50549:4433580 759.50885:1143173","MS/MS spectrum":"152.99422:47040 218.60353:9252 253.21652:54625 265.21707:68889 267.23184:1983167 269.24597:11076 279.23004:1878086 280.23471:13730 281.24988:78058 282.25021:15850 293.2482:44961 295.22607:12972 352.11343:10219 376.00073:9310 495.26678:18222 507.27954:19951 757.51538:62409"},{"Metabolite":"PG 35:4|PG 17:1_18:3","Alignment ID":"2815","Average Rt(min)":"10.763","Average Mz":"755.48682","Adduct type":"[M-H]-","Fill %":"0.51","MS/MS assigned":"TRUE","Reference RT":"8.22","Reference m/z":"755.48688","Formula":"C41H73O10P","Ontology":"PG","INCHIKEY":"PQEYJCHVTWVVAP-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"90.6","RT similarity":"100","Dot product":"32.8","Reverse dot product":"44","Fragment presence %":"100","S/N average":"65.91","Spectrum reference file name":"210226_Hamze_MM-1835_005n","MS1 isotopic spectrum":"755.48657:988325 756.48992:894498 757.49328:0","MS/MS spectrum":"99.1756:5005 147.54439:8110 177.54646:8560 182.45694:8272 244.36578:9163 255.23137:47107 267.23166:32576 268.23825:20840 277.21683:127167 279.23486:76221 280.23453:78200 317.65842:9879 345.92471:9577 352.3403:8747"},{"Metabolite":"PG 36:1|PG 18:0_18:1","Alignment ID":"2999","Average Rt(min)":"11.16","Average Mz":"775.54858","Adduct type":"[M-H]-","Fill %":"0.503","MS/MS assigned":"TRUE","Reference RT":"9.2","Reference m/z":"775.5495","Formula":"C42H81O10P","Ontology":"PG","INCHIKEY":"ZEFGRNLJASLRBZ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"83.5","Reverse dot product":"85.9","Fragment presence %":"100","S/N average":"53366.08","Spectrum reference file name":"210226_Hamze_MM-1835_054n","MS1 isotopic spectrum":"775.54871:512803968 776.55206:611915072 777.55542:192344720","MS/MS spectrum":"152.99622:1089727 171.00682:408156 209.02274:94928 227.03304:229997 255.23152:83354 276.13486:28277 278.09128:16853 279.83719:23968 281.24985:19100512 282.25525:21596 283.26605:6815372 286.50827:21881 309.28125:357791 311.29413:137962 327.23102:50881 328.23752:29400 417.2413:60047 419.25256:377880 437.27029:36394 465.31348:19090 483.27606:18970 491.27917:172808 493.2963:341090 509.28497:77865 511.3024:699997 701.54468:35989 775.53748:1824019"},{"Metabolite":"PG 36:2|PG 16:0_20:2","Alignment ID":"2980","Average Rt(min)":"10.679","Average Mz":"773.53186","Adduct type":"[M-H]-","Fill %":"0.559","MS/MS assigned":"TRUE","Reference RT":"8.78","Reference m/z":"773.53381","Formula":"C42H79O10P","Ontology":"PG","INCHIKEY":"KDFIYBDWNQKADP-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"64.5","Reverse dot product":"85.8","Fragment presence %":"100","S/N average":"22060.06","Spectrum reference file name":"210226_Hamze_MM-1835_005n","MS1 isotopic spectrum":"773.53418:162684448 774.53753:133739688 775.54089:39845868","MS/MS spectrum":"152.99614:206426 171.00673:76996 178.24706:35140 190.11787:8406 209.02261:22959 225.95326:8533 227.03291:41378 255.23137:858322 271.04306:10849 279.23486:68166 281.24969:1370223 283.2659:22086 307.26453:2661624 309.28107:58147 327.23083:13551 391.22751:56838 397.20236:10124 417.24106:25611 465.25934:46984 483.27579:103772 491.2789:24758 509.2847:35504 517.28784:10594 535.29053:12124 773.52356:307504"},{"Metabolite":"PG 36:2|PG 18:1_18:1","Alignment ID":"2979","Average Rt(min)":"10.208","Average Mz":"773.5318","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"8.75","Reference m/z":"773.53381","Formula":"C42H79O10P","Ontology":"PG","INCHIKEY":"DSNRWDQKZIEDDB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"56.6","Reverse dot product":"74.7","Fragment presence %":"100","S/N average":"44711.06","Spectrum reference file name":"210226_Hamze_MM-1835_003n","MS1 isotopic spectrum":"773.5332:210055376 774.53655:185281584 775.53991:52698144","MS/MS spectrum":"125:44900 132.81168:7474 152.99617:71007 177.16357:14152 178.24454:21564 181.02592:21251 208.45601:8244 229.19325:23018 239.06833:8595 249.18549:9285 279.23492:86475 281.24976:1693100 283.24039:104592 301.78732:10848 307.25882:13534 309.28116:59996 327.23093:200190 445.27164:16135 463.28323:52945 491.27902:35721 509.29715:14450 773.54681:94788"},{"Metabolite":"PG 36:4|PG 16:0_20:4","Alignment ID":"2947","Average Rt(min)":"10.062","Average Mz":"769.50122","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"8.32","Reference m/z":"769.5025","Formula":"C42H75O10P","Ontology":"PG","INCHIKEY":"OSLKKANICVMRGE-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"80.9","Reverse dot product":"86","Fragment presence %":"100","S/N average":"9549.97","Spectrum reference file name":"210226_Hamze_MM-1835_001n","MS1 isotopic spectrum":"769.50232:11649159 770.50567:12230653 771.50903:2911727","MS/MS spectrum":"152.99631:211416 171.00693:104809 178.26768:48274 205.1956:57099 209.02284:20248 227.03316:58156 253.21663:20367 255.20976:24043 255.23166:1389207 256.23718:36947 259.24487:243123 279.23517:18386 280.23483:27700 281.24493:25696 285.22144:17874 303.2338:3098446 391.22797:50098 409.23276:11196 439.22092:15297 465.25986:92503 483.27634:200848 513.2572:23021 531.27155:10573 769.49786:288077"},{"Metabolite":"PG 36:5|PG 18:2_18:3","Alignment ID":"2929","Average Rt(min)":"9.332","Average Mz":"767.48529","Adduct type":"[M-H]-","Fill %":"0.834","MS/MS assigned":"TRUE","Reference RT":"8.1","Reference m/z":"767.48688","Formula":"C42H73O10P","Ontology":"PG","INCHIKEY":"VTAJEODPKJDTAS-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"71.5","Reverse dot product":"67.9","Fragment presence %":"100","S/N average":"2058.2","Spectrum reference file name":"210226_Hamze_MM-1835_113n","MS1 isotopic spectrum":"767.48694:26160420 768.49029:42803584 769.49365:10139549","MS/MS spectrum":"152.99623:165164 178.27272:14875 227.02937:10682 227.2021:74455 228.20557:49658 229.20824:16634 233.22838:26858 251.19962:15975 251.67049:10598 253.21652:115727 255.23154:14868 261.13739:8569 277.21701:6238508 279.23505:6191212 280.23471:9901 281.24988:15736 284.24634:9792 290.08212:18151 303.23364:137608 304.23962:19911 305.25064:19328 327.2374:17882 328.23755:19623 329.2359:13830 433.23401:13301 487.24725:16649 489.26282:23031 505.26154:33771 507.27951:26914 767.48462:110962"},{"Metabolite":"PG 36:6|PG 16:1_20:5","Alignment ID":"2912","Average Rt(min)":"9.26","Average Mz":"765.47137","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"8.03","Reference m/z":"765.47119","Formula":"C42H71O10P","Ontology":"PG","INCHIKEY":"BUFDCOQRWVWTCJ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"94.6","RT similarity":"100","Dot product":"67.2","Reverse dot product":"47.3","Fragment presence %":"100","S/N average":"19637.25","Spectrum reference file name":"210226_Hamze_MM-1835_092n","MS1 isotopic spectrum":"765.47192:3968172 766.47527:3985860 767.47863:6551566","MS/MS spectrum":"99.29451:5561 112.89083:6658 117.78503:5948 142.35344:7145 152.99619:23417 165.27945:8063 203.18112:23465 251.19952:34055 253.21643:537739 257.22632:67832 275.20111:11831 277.21692:47394 279.22995:31193 279.55588:9771 301.21964:261333 303.23355:28659 432.02615:8637 538.4964:12922 765.54761:11642"},{"Metabolite":"PG 37:2|PG 18:1_19:1","Alignment ID":"3098","Average Rt(min)":"12.569","Average Mz":"787.547","Adduct type":"[M-H]-","Fill %":"0.586","MS/MS assigned":"TRUE","Reference RT":"9.08","Reference m/z":"787.5495","Formula":"C43H81O10P","Ontology":"PG","INCHIKEY":"MESQKFRYTBATBY-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"91","RT similarity":"99.9","Dot product":"38.9","Reverse dot product":"32","Fragment presence %":"100","S/N average":"1082.18","Spectrum reference file name":"210226_Hamze_MM-1835_069n","MS1 isotopic spectrum":"787.54688:5374479 788.55022:3739382 789.55358:1536721","MS/MS spectrum":"122.98404:12785 168.04224:32351 208.99353:7403 255.23152:15532 279.23001:16664 280.23972:13429 281.24985:1447076 282.25015:57185 283.26605:439782 284.26688:25477 295.22604:19745 295.26416:19080 296.26358:29634 297.24606:16905 298.24451:10946 309.28125:50766 310.54065:8725 323.25717:19293 324.26419:27424 523.30243:10358 787.64294:19171"},{"Metabolite":"PG 37:3|PG 18:1_19:2","Alignment ID":"3083","Average Rt(min)":"11.923","Average Mz":"785.53394","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"8.6","Reference m/z":"785.53381","Formula":"C43H79O10P","Ontology":"PG","INCHIKEY":"UKLARRCYTJYCGO-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"99.2","RT similarity":"99.9","Dot product":"2.7","Reverse dot product":"80.6","Fragment presence %":"100","S/N average":"2061.98","Spectrum reference file name":"210226_Hamze_MM-1835_057n","MS1 isotopic spectrum":"785.534:11031935 786.53735:10919617 787.54071:2734963","MS/MS spectrum":"122.98405:31375 178.27017:22004 255.23155:13911 256.51917:9498 279.23004:2325680 280.23471:87589 281.24988:50201 283.26608:710981 284.26691:31673 293.21582:17359 293.24817:38138 294.24814:31156 297.24609:11214 297.27911:12180 298.24454:14165 307.26474:10501 349.27878:26286 350.27615:19609 472.08994:9366 642.00153:11657 785.55853:11652"},{"Metabolite":"PG 37:4|PG 17:0_20:4","Alignment ID":"3065","Average Rt(min)":"11.344","Average Mz":"783.51642","Adduct type":"[M-H]-","Fill %":"0.869","MS/MS assigned":"TRUE","Reference RT":"8.5","Reference m/z":"783.51819","Formula":"C43H77O10P","Ontology":"PG","INCHIKEY":"PVUBPLARFWDUOX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"97.7","RT similarity":"100","Dot product":"6.4","Reverse dot product":"74.5","Fragment presence %":"100","S/N average":"554.72","Spectrum reference file name":"210226_Hamze_MM-1835_141n","MS1 isotopic spectrum":"783.51672:7534927 784.52007:3272021 785.52343:1768908","MS/MS spectrum":"140.01024:25777 152.99617:20521 168.04219:19920 178.2701:40200 189.40782:8339 190.74995:8614 196.03952:14154 253.21642:25456 254.22311:11695 255.23145:164458 256.23697:65984 269.25061:9796 270.24954:23915 279.23492:667852 280.23459:39162 281.24976:296484 282.25006:30755 283.26599:26747 293.21033:16272 293.24805:15424 294.24802:25709 295.22595:19893 296.23065:13092 303.23352:71336 304.23953:57423 305.24481:113901 306.24933:11156 316.7002:9884 319.22653:15163 321.24469:42365 322.2485:36408 329.2486:10267 330.25156:10577 347.2619:62216 348.26459:50215 349.27164:39357 350.276:46053 783.52911:25949"},{"Metabolite":"PG 37:5|PG 17:1_20:4","Alignment ID":"3054","Average Rt(min)":"11.029","Average Mz":"781.50153","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"8.34","Reference m/z":"781.5025","Formula":"C43H75O10P","Ontology":"PG","INCHIKEY":"NEYZXZSGIAETLA-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"93.4","RT similarity":"100","Dot product":"40.3","Reverse dot product":"37.8","Fragment presence %":"100","S/N average":"1552.64","Spectrum reference file name":"210226_Hamze_MM-1835_079n","MS1 isotopic spectrum":"781.50073:11941930 782.50408:10790413 783.50744:3367566","MS/MS spectrum":"122.98542:42110 138.05296:8152 156.912:8495 183.00591:9595 205.19534:38452 255.23134:701953 256.23688:20216 259.24457:160884 267.23163:61939 268.23822:32982 279.23483:13979 280.23447:16399 285.22107:10122 293.24792:9742 294.25333:9939 303.2334:1382914 304.2337:27335 305.2504:120120 306.24921:91233 317.25146:9330 345.24176:18578 346.24265:17453 396.96442:8970 495.2782:13544"},{"Metabolite":"PG 37:7|PG 15:2_22:5","Alignment ID":"3015","Average Rt(min)":"9.24","Average Mz":"777.47241","Adduct type":"[M-H]-","Fill %":"0.524","MS/MS assigned":"TRUE","Reference RT":"8.1","Reference m/z":"777.47119","Formula":"C43H71O10P","Ontology":"PG","INCHIKEY":"IRPMWNKFLCHANW-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCC=CCC=CCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"89.9","RT similarity":"100","Dot product":"28.1","Reverse dot product":"44.9","Fragment presence %":"100","S/N average":"145.35","Spectrum reference file name":"210226_Hamze_MM-1835_069n","MS1 isotopic spectrum":"777.47241:1012150 778.47576:978151 779.47912:383504","MS/MS spectrum":"90.06096:5183 94.11008:4119 94.93395:5438 124.04372:7275 125.93407:6191 152.99622:11877 156.11743:7121 170.25777:7970 178.26759:46623 237.18646:104191 255.23152:17984 277.21698:10927 279.23502:21961 279.87238:8798 281.24985:8392 283.26605:13076 285.25748:12240 289.21408:10072 329.24869:31271 336.66498:9052 599.96289:10170 635.07184:11523 641.59998:9963 777.55884:15207"},{"Metabolite":"PG 37:8|PG 15:2_22:6","Alignment ID":"2998","Average Rt(min)":"8.93","Average Mz":"775.45422","Adduct type":"[M-H]-","Fill %":"0.655","MS/MS assigned":"TRUE","Reference RT":"7.95","Reference m/z":"775.45563","Formula":"C43H69O10P","Ontology":"PG","INCHIKEY":"KMYOAXNUFGYEJD-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCC=CCC=CCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"93.6","RT similarity":"100","Dot product":"71.8","Reverse dot product":"43.8","Fragment presence %":"100","S/N average":"55.26","Spectrum reference file name":"210226_Hamze_MM-1835_076n","MS1 isotopic spectrum":"775.45398:640139 776.45733:683348 777.46069:167433","MS/MS spectrum":"107.74696:5264 117.97599:6780 160.92102:8103 178.2726:11521 237.18631:282281 283.24542:35740 327.23083:71616 388.86206:8995 398.04514:9801"},{"Metabolite":"PG 38:3|PG 18:1_20:2","Alignment ID":"3206","Average Rt(min)":"10.314","Average Mz":"799.54956","Adduct type":"[M-H]-","Fill %":"0.524","MS/MS assigned":"TRUE","Reference RT":"8.76","Reference m/z":"799.5495","Formula":"C44H81O10P","Ontology":"PG","INCHIKEY":"QYNYDIBIMCZYDQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"70.5","Reverse dot product":"69.5","Fragment presence %":"100","S/N average":"4578.44","Spectrum reference file name":"210226_Hamze_MM-1835_096n","MS1 isotopic spectrum":"799.54956:110221896 800.55291:93692456 801.55627:27281072","MS/MS spectrum":"152.99617:174692 171.00677:15622 178.2701:50663 269.25061:33653 270.2543:40313 271.25406:17790 277.21692:10719 279.23492:475984 280.23459:27071 281.24976:5591287 282.25006:34958 283.26086:37707 284.26678:14812 303.23352:19885 304.23383:19154 305.25052:50626 306.24933:36860 307.26459:5781198 308.26749:23570 309.28116:445294 491.27902:10472 509.28482:24408 517.3006:12992 535.30396:24071 688.42413:11720 799.5481:144321"},{"Metabolite":"PG 38:4|PG 18:0_20:4","Alignment ID":"3191","Average Rt(min)":"10.635","Average Mz":"797.53223","Adduct type":"[M-H]-","Fill %":"0.683","MS/MS assigned":"TRUE","Reference RT":"8.56","Reference m/z":"797.53381","Formula":"C44H79O10P","Ontology":"PG","INCHIKEY":"JDHPBMPBPWNFFB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"77.4","Reverse dot product":"85.1","Fragment presence %":"100","S/N average":"7298.68","Spectrum reference file name":"210226_Hamze_MM-1835_047n","MS1 isotopic spectrum":"797.53278:57847216 798.53613:63198312 799.53949:17410286","MS/MS spectrum":"152.99612:457959 171.00673:191327 177.09265:10818 205.19537:127622 209.02261:27523 227.0329:127669 253.21634:67295 259.2446:595446 269.25052:18377 270.25424:12988 277.21683:16215 279.23486:197926 281.24966:110809 282.25:69350 283.2659:2966333 284.26672:28195 285.22113:37820 285.27286:16186 301.21951:12174 303.23343:6274210 304.23373:51397 305.24472:76415 419.26154:87170 437.27002:23266 439.23029:17383 493.29602:165530 511.30209:406227 513.25659:40965 531.27094:20962 561.69287:10141 797.53693:520433"},{"Metabolite":"PG 38:4|PG 18:1_20:3","Alignment ID":"3192","Average Rt(min)":"10.011","Average Mz":"797.53363","Adduct type":"[M-H]-","Fill %":"0.966","MS/MS assigned":"TRUE","Reference RT":"8.49","Reference m/z":"797.53381","Formula":"C44H79O10P","Ontology":"PG","INCHIKEY":"FGLCTGHXZAQEIH-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"70.8","Reverse dot product":"89","Fragment presence %":"100","S/N average":"10286.93","Spectrum reference file name":"210226_Hamze_MM-1835_114n","MS1 isotopic spectrum":"797.53333:19375150 798.53668:18933110 799.54004:5319126","MS/MS spectrum":"152.99623:89451 178.24716:25445 238.92957:8749 255.23154:298304 256.23267:16826 277.21701:37047 279.23004:254905 281.24985:1231183 282.25018:15772 283.26096:20810 303.23364:37107 305.25064:1214676 307.26471:273557 309.28125:51697 311.1998:86281 329.24872:22768 330.25168:32449 331.26569:238067 430.84283:10206 473.30371:195942 485.30148:84286 491.26752:11815 509.285:12099 515.27289:12285 533.28864:13238 797.51324:1134034"},{"Metabolite":"PG 38:5|PG 18:1_20:4","Alignment ID":"3168","Average Rt(min)":"10.115","Average Mz":"795.51715","Adduct type":"[M-H]-","Fill %":"0.828","MS/MS assigned":"TRUE","Reference RT":"8.39","Reference m/z":"795.51819","Formula":"C44H77O10P","Ontology":"PG","INCHIKEY":"ODHQFFNXKQCMPG-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"76.6","Reverse dot product":"86.6","Fragment presence %":"100","S/N average":"798.47","Spectrum reference file name":"210226_Hamze_MM-1835_043n","MS1 isotopic spectrum":"795.51715:11606465 796.5205:12893369 797.52386:30365830","MS/MS spectrum":"113.02367:11796 152.99425:98214 168.04231:18653 171.0069:42475 178.24467:24729 205.19557:21134 209.02281:8629 227.03313:22497 231.21094:9893 255.23163:33876 259.24484:107782 279.23013:49422 280.2348:37319 281.24994:803162 282.25027:45945 283.25595:18174 303.23373:1214800 329.24884:49611 417.24146:15135 483.27628:9121 491.27936:28182 509.28519:73919 513.26959:18891 721.55481:10465 795.5343:137103"},{"Metabolite":"PG 38:5|PG 18:2_20:3","Alignment ID":"3169","Average Rt(min)":"9.82","Average Mz":"795.51837","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"8.21","Reference m/z":"795.51819","Formula":"C44H77O10P","Ontology":"PG","INCHIKEY":"DYTFWSAZEBKKCH-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"86.7","Reverse dot product":"85.6","Fragment presence %":"100","S/N average":"14754.2","Spectrum reference file name":"210226_Hamze_MM-1835_066n","MS1 isotopic spectrum":"795.51782:504847520 796.52117:564362368 797.52453:164949904","MS/MS spectrum":"152.9962:182932 253.21646:232887 254.2188:48993 255.23149:247765 256.23703:228306 257.23965:63094 261.2597:39987 277.21695:84592 279.23499:6214372 280.23465:44194 281.24982:222350 282.25012:28591 283.24045:19212 284.24628:37632 285.25229:23129 287.23859:16294 301.21405:11972 303.23358:194604 304.23389:31237 305.25058:6146624 307.26465:82609 327.23099:52753 328.23749:60963 329.24225:52199 330.25162:34825 331.26562:190819 489.2627:13124 507.27942:30502 515.27283:13343 533.28851:35720 547.37958:11951 795.50983:1200731"},{"Metabolite":"PG 38:6|PG 16:0_22:6","Alignment ID":"3147","Average Rt(min)":"9.954","Average Mz":"793.5033","Adduct type":"[M-H]-","Fill %":"0.579","MS/MS assigned":"TRUE","Reference RT":"8.26","Reference m/z":"793.5025","Formula":"C44H75O10P","Ontology":"PG","INCHIKEY":"HUFCXYMYEWLLHT-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"59.2","Reverse dot product":"89.4","Fragment presence %":"100","S/N average":"1010.36","Spectrum reference file name":"210226_Hamze_MM-1835_142n","MS1 isotopic spectrum":"793.50275:13429219 794.5061:12930044 795.50946:14928314","MS/MS spectrum":"117.07042:9958 121.10215:17495 133.10298:12540 135.11728:10587 152.99612:286534 163.07724:10534 163.14882:17281 171.00671:125596 177.16351:26756 191.18057:19220 194.02167:14258 203.18103:11666 209.0226:17877 227.03288:72761 229.19688:105017 249.18539:32150 250.04921:13972 255.23135:1563824 256.23688:156278 259.24457:17219 260.24689:14663 267.03476:10556 279.23483:27259 281.2446:11012 283.24539:650273 303.2334:271381 304.23941:162120 327.2308:1073780 391.22748:129736 392.22641:68826 439.23026:12735 465.25928:104140 483.27576:189327 489.28568:14048 506.28693:17506 507.29141:16474 537.26392:14353 555.27362:9930 629.50641:11763 793.51361:196957"},{"Metabolite":"PG 38:6|PG 18:2_20:4","Alignment ID":"3146","Average Rt(min)":"9.533","Average Mz":"793.50012","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"8.14","Reference m/z":"793.5025","Formula":"C44H75O10P","Ontology":"PG","INCHIKEY":"IOSMTWQOMVSNAG-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"66.4","Reverse dot product":"68.8","Fragment presence %":"100","S/N average":"8440.79","Spectrum reference file name":"210226_Hamze_MM-1835_044n","MS1 isotopic spectrum":"793.50116:70834800 794.50451:68490008 795.50787:21699084","MS/MS spectrum":"152.99626:375453 163.07516:10813 171.00447:23600 177.09029:24065 191.10698:13448 203.18123:26294 205.19556:186903 217.19453:14618 223.1714:9788 227.0331:23063 231.21091:25621 253.21657:72088 257.22647:141139 259.24481:897711 261.21899:14524 274.08707:12395 274.16992:15856 277.21707:79682 277.84256:13917 279.23511:12447383 280.63309:12839 281.24991:992928 284.43686:15037 285.22137:60417 301.21979:480569 301.65808:9419 303.2337:9688809 304.23401:10321 305.2507:85491 309.13538:9829 329.24878:63420 378.88239:9608 433.2341:15603 457.24057:16580 465.24896:18942 489.26291:35944 507.2796:85725 513.26953:36140 531.27142:48921 793.51434:215705"},{"Metabolite":"PG 38:7|PG 18:2_20:5","Alignment ID":"3131","Average Rt(min)":"9.334","Average Mz":"791.48657","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"7.9","Reference m/z":"791.48688","Formula":"C44H73O10P","Ontology":"PG","INCHIKEY":"DTYJSYMMNJFNCQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"45.1","Reverse dot product":"65.4","Fragment presence %":"100","S/N average":"9598.51","Spectrum reference file name":"210226_Hamze_MM-1835_135n","MS1 isotopic spectrum":"791.48676:53522580 792.49011:68986416 793.49347:21682372","MS/MS spectrum":"151.1479:17849 152.99626:228451 163.14897:15153 171.00447:18181 177.09027:12140 178.2702:31159 203.18123:136962 205.19554:36690 223.1714:36698 227.02942:11664 229.1971:16403 245.15125:10434 257.22644:752665 259.24481:160538 275.20123:12689 277.21707:2241255 279.19501:31146 279.23508:5961628 281.24991:15831 283.20471:20008 283.26614:35391 301.21976:2744216 303.2337:1724025 305.2507:10334 309.28131:15162 489.26288:10969 505.26163:12621 507.26733:38789 511.24045:11878 529.2655:17819 704.52698:14098 751.242:10239 791.5022:65868"},{"Metabolite":"PG 38:8|PG 16:2_22:6","Alignment ID":"3112","Average Rt(min)":"9.194","Average Mz":"789.46942","Adduct type":"[M-H]-","Fill %":"0.566","MS/MS assigned":"TRUE","Reference RT":"8.1","Reference m/z":"789.47119","Formula":"C44H71O10P","Ontology":"PG","INCHIKEY":"JWSVMXGECZNTBQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCC=CCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"91.4","RT similarity":"100","Dot product":"41.3","Reverse dot product":"44.4","Fragment presence %":"100","S/N average":"386.83","Spectrum reference file name":"210226_Hamze_MM-1835_085n","MS1 isotopic spectrum":"789.47192:3226473 790.47527:3557890 791.47863:14567912","MS/MS spectrum":"125.09611:18782 152.99619:17047 154.83315:7323 165.05838:8502 178.27011:53922 193.61617:8890 197.5751:8317 208.95457:9378 227.95032:8663 229.19701:15997 251.19954:347105 253.21645:54760 277.21695:16555 281.24979:11885 283.24554:62539 301.21964:15717 308.26172:9164 327.23096:93488 513.88159:10398 627.51044:8883 789.54492:67962"},{"Metabolite":"PG 38:8|PG 18:3_20:5","Alignment ID":"3113","Average Rt(min)":"9.173","Average Mz":"789.4715","Adduct type":"[M-H]-","Fill %":"0.669","MS/MS assigned":"TRUE","Reference RT":"8","Reference m/z":"789.47119","Formula":"C44H71O10P","Ontology":"PG","INCHIKEY":"AATLZNQHIYZANC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"94.5","RT similarity":"100","Dot product":"65.4","Reverse dot product":"47.4","Fragment presence %":"100","S/N average":"1454.1","Spectrum reference file name":"210226_Hamze_MM-1835_005n","MS1 isotopic spectrum":"789.47162:2602230 790.47497:2416082 791.47833:662547","MS/MS spectrum":"109.59817:6255 126.04636:6295 132.96132:7861 152.99614:14888 183.57076:7927 183.80063:8429 207.73077:9754 235.18704:8824 239.597:9169 257.22626:31151 277.21683:246589 281.24969:12191 297.24039:13219 301.21951:114063 559.5835:10633 789.56848:16816"},{"Metabolite":"PG 38:9|PG 16:3_22:6","Alignment ID":"3096","Average Rt(min)":"9.058","Average Mz":"787.45709","Adduct type":"[M-H]-","Fill %":"0.621","MS/MS assigned":"TRUE","Reference RT":"7.85","Reference m/z":"787.45563","Formula":"C44H69O10P","Ontology":"PG","INCHIKEY":"HFQBELLCQXDEKF-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"94.8","RT similarity":"100","Dot product":"70.4","Reverse dot product":"47.8","Fragment presence %":"100","S/N average":"3905.65","Spectrum reference file name":"210226_Hamze_MM-1835_052n","MS1 isotopic spectrum":"787.45673:226759 788.46008:232179 789.46344:107632","MS/MS spectrum":"92.71135:5428 125.0976:7307 138.8278:7399 172.52953:7299 178.27521:9081 249.1855:33589 327.23093:17159"},{"Metabolite":"PG 39:4|PG 18:1_21:3","Alignment ID":"3309","Average Rt(min)":"10.283","Average Mz":"811.54749","Adduct type":"[M-H]-","Fill %":"0.531","MS/MS assigned":"TRUE","Reference RT":"8.66","Reference m/z":"811.5495","Formula":"C45H81O10P","Ontology":"PG","INCHIKEY":"ASQBKIQXKUYNGU-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"68.2","Reverse dot product":"67.9","Fragment presence %":"100","S/N average":"1117.73","Spectrum reference file name":"210226_Hamze_MM-1835_047n","MS1 isotopic spectrum":"811.54999:9252003 812.55334:11709608 813.5567:3693212","MS/MS spectrum":"152.99612:183281 255.23575:14424 256.23691:9683 267.23166:31748 269.25052:21921 275.27454:31514 279.23486:25108 281.24966:2838496 282.25:138903 283.26077:22147 284.26672:12631 293.24799:20700 295.26398:92278 301.2532:10490 305.25046:157727 306.24924:45079 307.26453:11167 319.26318:2646061 321.28168:19530 331.26547:17961 333.28143:37488 380.21582:9929 391.21921:10636 396.19284:9025 417.24103:44516 418.24026:38753 435.24484:27427 436.25079:30062 441.24356:11002 491.26718:10531 547.29681:14049 724.49738:21413 811.55145:79144"},{"Metabolite":"PG 39:5|PG 19:1_20:4","Alignment ID":"3297","Average Rt(min)":"11.83","Average Mz":"809.53174","Adduct type":"[M-H]-","Fill %":"0.966","MS/MS assigned":"TRUE","Reference RT":"8.65","Reference m/z":"809.53381","Formula":"C45H79O10P","Ontology":"PG","INCHIKEY":"LPAAVEIZQHCMPC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"94.5","RT similarity":"99.9","Dot product":"38.5","Reverse dot product":"39.2","Fragment presence %":"100","S/N average":"2019.07","Spectrum reference file name":"210226_Hamze_MM-1835_094n","MS1 isotopic spectrum":"809.53418:8020325 810.53753:6333081 811.54089:2183829","MS/MS spectrum":"122.98399:26246 168.04451:8674 178.24707:103322 205.1954:28422 212.14944:8708 259.24463:140552 283.26593:628728 284.26675:20415 295.26404:76616 296.26892:52580 303.23349:1262714 304.23376:28352 305.25049:191472 306.2493:131627 331.2655:10941 510.97955:10844 523.30219:16196"},{"Metabolite":"PG 39:8|PG 17:2_22:6","Alignment ID":"3243","Average Rt(min)":"9.292","Average Mz":"803.48651","Adduct type":"[M-H]-","Fill %":"0.772","MS/MS assigned":"TRUE","Reference RT":"8.06","Reference m/z":"803.48688","Formula":"C45H73O10P","Ontology":"PG","INCHIKEY":"MJLCCZPQHPZXBQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCC=CCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"48.6","Reverse dot product":"78.8","Fragment presence %":"100","S/N average":"8336.6","Spectrum reference file name":"210226_Hamze_MM-1835_005n","MS1 isotopic spectrum":"803.48663:428665 804.48998:610631 805.49334:175748","MS/MS spectrum":"92.3177:4348 92.56007:4747 93.31812:5588 106.345:4997 129.32558:7441 144.47766:7134 178.24706:15833 194.50136:8213 234.34125:7760 241.01288:13986 265.21689:32512 279.23486:14950 327.23083:10631 560.25208:9527 803.4704:14798"},{"Metabolite":"PG 40:10|PG 20:5_20:5","Alignment ID":"3324","Average Rt(min)":"9.08","Average Mz":"813.47064","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"7.73","Reference m/z":"813.47119","Formula":"C46H71O10P","Ontology":"PG","INCHIKEY":"RXVSKFCPZBGIDS-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"21.1","Reverse dot product":"84.3","Fragment presence %":"100","S/N average":"92.48","Spectrum reference file name":"210226_Hamze_MM-1835_112n","MS1 isotopic spectrum":"813.47089:750074 814.47424:831148 815.4776:266771","MS/MS spectrum":"92.64434:5229 97.4034:4931 177.07509:7373 228.49458:8674 275.2012:87546 277.21704:11453 283.24564:27502 301.21976:18128 327.23108:30660 432.61508:8997 813.49176:11518"},{"Metabolite":"PG 40:5|PG 18:0_22:5","Alignment ID":"3389","Average Rt(min)":"10.707","Average Mz":"823.56055","Adduct type":"[M-H]-","Fill %":"0.648","MS/MS assigned":"TRUE","Reference RT":"8.71","Reference m/z":"823.5495","Formula":"C46H81O10P","Ontology":"PG","INCHIKEY":"VERJFSNAZVEOPC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"95.8","RT similarity":"100","Dot product":"19.5","Reverse dot product":"84.7","Fragment presence %":"100","S/N average":"1564.19","Spectrum reference file name":"210226_Hamze_MM-1835_061n","MS1 isotopic spectrum":"823.55731:19064918 824.56066:18365558 825.56402:14460170","MS/MS spectrum":"152.99423:56929 168.04228:66797 171.00447:15958 178.26764:58577 224.069:46498 233.35851:12115 279.2301:3395070 281.24484:27333 283.26614:264957 285.25757:45874 303.2337:23054 305.2507:22025 309.28134:16352 329.24878:481452 415.22641:10814 486.30179:36336 493.29645:17654 504.31183:111297 511.30252:36059 766.54968:85607 823.54889:62914"},{"Metabolite":"PG 40:5|PG 18:1_22:4","Alignment ID":"3388","Average Rt(min)":"10.167","Average Mz":"823.54791","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"8.53","Reference m/z":"823.5495","Formula":"C46H81O10P","Ontology":"PG","INCHIKEY":"LKKSDDHQPCIQOD-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"FALSE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"67.7","Reverse dot product":"79.2","Fragment presence %":"100","S/N average":"4498.19","Spectrum reference file name":"210226_Hamze_MM-1835_069n","MS1 isotopic spectrum":"823.54968:66877200 824.55303:81568064 825.55639:24204956","MS/MS spectrum":"152.99622:193599 154.99879:10787 171.00443:12025 178.27014:64132 231.21085:16896 241.013:11502 255.23152:11048 269.25067:46220 270.25439:33548 271.25412:21946 279.23502:176635 281.24985:4414038 282.25015:425278 283.26096:215221 284.26688:147019 285.26266:77543 286.2637:63329 287.26999:56563 303.23361:25602 305.25061:246330 307.26468:282226 309.28125:23591 327.23102:41183 328.23752:47238 329.24869:214510 330.25165:258711 331.26566:3858782 333.28162:199131 406.24463:11846 407.24872:10864 482.54684:10202 491.27917:12605 509.28497:29551 541.29816:11676 559.29962:21358 778.02466:9710 823.54871:323672"},{"Metabolite":"PG 40:7|PG 18:1_22:6","Alignment ID":"3363","Average Rt(min)":"9.732","Average Mz":"819.51849","Adduct type":"[M-H]-","Fill %":"0.993","MS/MS assigned":"TRUE","Reference RT":"8.28","Reference m/z":"819.51819","Formula":"C46H77O10P","Ontology":"PG","INCHIKEY":"FZJRPYWBMGYDIA-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"61.1","Reverse dot product":"70.3","Fragment presence %":"100","S/N average":"55060.45","Spectrum reference file name":"210226_Hamze_MM-1835_055n","MS1 isotopic spectrum":"819.51862:277538944 820.52197:334341696 821.52533:100531496","MS/MS spectrum":"117.07051:22570 121.10081:30623 131.08676:10707 133.10144:29727 135.11739:32422 137.13292:14418 143.08574:12607 147.11823:23472 149.13316:47916 152.9942:715997 161.13396:17794 163.14894:33380 171.00444:11405 175.14793:26381 177.16365:103904 178.26761:34068 189.16464:20020 191.18071:61214 193.12253:10418 203.17809:25413 209.02275:27907 217.19449:11208 227.03307:29807 229.19707:358295 231.21088:13373 241.19392:13521 249.18559:94821 255.20966:21129 257.15555:10818 269.2507:10967 276.12997:12586 279.23505:265201 281.24988:12166988 282.25018:17835 283.24051:2025725 285.25754:51984 286.5083:12315 297.2186:17780 303.23364:74009 305.25067:84545 309.2229:29423 327.23105:3500811 329.24872:160421 417.24133:47426 435.25491:27365 463.22992:82837 481.22937:12683 491.27924:78817 509.28503:128623 537.26434:62994 555.27405:65641 819.52887:238130"},{"Metabolite":"PG 40:8|PG 18:2_22:6","Alignment ID":"3347","Average Rt(min)":"9.454","Average Mz":"817.50098","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"8.07","Reference m/z":"817.5025","Formula":"C46H75O10P","Ontology":"PG","INCHIKEY":"GMXYXYLCBAOPHA-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"62.4","Reverse dot product":"78.8","Fragment presence %":"100","S/N average":"20881.96","Spectrum reference file name":"210226_Hamze_MM-1835_125n","MS1 isotopic spectrum":"817.50323:543098304 818.50658:415867328 819.50994:121660840","MS/MS spectrum":"117.07042:19783 133.10133:28639 135.11728:22774 147.1181:13209 149.13306:25686 152.99612:627733 163.075:21162 163.14882:24954 175.1478:21974 177.16605:59717 191.18056:37554 203.18103:21066 205.19536:13080 209.0226:80276 227.03288:23871 227.17987:14317 229.19688:223045 249.18539:64284 255.23572:14952 259.24457:88118 261.2233:17935 277.2168:61518 279.23483:7844949 280.23953:17414 281.24963:202361 283.24539:1391284 285.25729:12095 301.21387:14123 303.2334:1008539 305.25043:26408 309.22263:33733 325.21902:27049 327.2308:2144762 329.24847:20378 415.22601:52338 433.23367:19321 463.22955:56012 489.26242:111817 507.27914:78856 537.26392:67833 555.27362:49874 644.875:11847 817.49164:391672"},{"Metabolite":"PG 40:9|PG 18:3_22:6","Alignment ID":"3336","Average Rt(min)":"9.256","Average Mz":"815.48584","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"8.05","Reference m/z":"815.48688","Formula":"C46H73O10P","Ontology":"PG","INCHIKEY":"CXLZYQKWZLBZEB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"76.4","Reverse dot product":"58.6","Fragment presence %":"100","S/N average":"121325.29","Spectrum reference file name":"210226_Hamze_MM-1835_072n","MS1 isotopic spectrum":"815.48633:103815672 816.48968:115742760 817.49304:36374652","MS/MS spectrum":"117.07185:9932 121.10222:24297 133.10141:23703 135.11736:17456 137.13289:12444 143.08571:11323 147.11629:18418 149.13313:23717 151.14984:8183 152.9962:217940 161.13391:17180 163.07733:15780 163.14891:24493 171.00682:15906 175.14789:21095 177.16362:71654 189.1646:13251 191.18068:33797 203.18115:19939 203.52988:8814 206.08519:8790 217.19446:9612 224.56673:9286 229.19702:218342 233.22835:31151 249.18555:60907 255.20961:11392 257.22638:10055 259.20886:16845 275.20114:21436 277.21698:6982248 279.23499:17883 283.24045:1275895 301.21967:42864 303.23358:72186 309.22281:19438 327.23099:1907676 487.24716:17618 505.26147:47623 555.27393:19631 566.84528:12841 700.34906:9824 815.48816:34880"},{"Metabolite":"PG 41:10|PG 19:4_22:6","Alignment ID":"3427","Average Rt(min)":"9.302","Average Mz":"827.4859","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"7.94","Reference m/z":"827.48688","Formula":"C47H73O10P","Ontology":"PG","INCHIKEY":"NVKMXLNIYXGHBB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"50.9","Reverse dot product":"66.6","Fragment presence %":"100","S/N average":"400","Spectrum reference file name":"210226_Hamze_MM-1835_072n","MS1 isotopic spectrum":"827.48737:7879652 828.49072:12008721 829.49408:3858198","MS/MS spectrum":"121.10222:8486 150.31532:7573 152.9962:79327 166.11305:8309 167.32881:9031 168.9086:7929 177.16615:14157 178.24713:15901 191.18068:58774 211.14781:7915 229.19702:46909 245.22537:210002 249.18555:8734 253.80588:8320 271.20615:11460 283.24045:249905 284.26685:56683 289.21933:977586 319.22659:8874 327.23099:438879 329.24866:10264 331.75168:8196 357.08884:12276 419.25253:16350 420.259:18449 435.48892:13183 438.27338:12719 555.27393:10432 748.74976:12273 827.49591:23874"},{"Metabolite":"PG 41:11|PG 19:5_22:6","Alignment ID":"3407","Average Rt(min)":"9.112","Average Mz":"825.47168","Adduct type":"[M-H]-","Fill %":"0.51","MS/MS assigned":"TRUE","Reference RT":"7.83","Reference m/z":"825.47119","Formula":"C47H71O10P","Ontology":"PG","INCHIKEY":"DHIIJETVJTYHEQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"94","RT similarity":"100","Dot product":"58.6","Reverse dot product":"49.3","Fragment presence %":"100","S/N average":"13.6","Spectrum reference file name":"210226_Hamze_MM-1835_136n","MS1 isotopic spectrum":"825.47217:351333 826.47552:474010 827.47888:52318","MS/MS spectrum":"127.20457:7413 152.99625:9626 194.20767:10428 243.21344:12255 287.20209:14609 327.23108:19747"},{"Metabolite":"PG 41:7|PG 19:1_22:6","Alignment ID":"3493","Average Rt(min)":"11.644","Average Mz":"833.53204","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"8.55","Reference m/z":"833.53381","Formula":"C47H79O10P","Ontology":"PG","INCHIKEY":"LNPMRTGVHOWMKC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCC=CCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"93.6","RT similarity":"100","Dot product":"24.7","Reverse dot product":"41.7","Fragment presence %":"100","S/N average":"429.7","Spectrum reference file name":"210226_Hamze_MM-1835_010n","MS1 isotopic spectrum":"833.53333:5939310 834.53668:5927036 835.54004:1452921","MS/MS spectrum":"104.76157:5625 114.8543:5356 118.94644:5450 120.78659:6116 122.98401:17342 137.00365:7305 149.13312:6948 159.18187:7082 161.1339:7399 165.78481:7677 179.02127:7565 187.14449:9923 197.98125:7937 212.05331:8889 229.19699:17761 255.23145:14125 281.24976:17723 282.25009:14427 283.26599:290779 284.26682:9688 285.67169:8804 287.89304:8559 295.2641:10487 327.23093:156764 329.99396:9125 523.30231:10017"},{"Metabolite":"PG 42:10|PG 20:4_22:6","Alignment ID":"3554","Average Rt(min)":"9.418","Average Mz":"841.50079","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"8.05","Reference m/z":"841.5025","Formula":"C48H75O10P","Ontology":"PG","INCHIKEY":"NKKUHWUBWLYVOR-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"49","Reverse dot product":"64.6","Fragment presence %":"100","S/N average":"13648.63","Spectrum reference file name":"210226_Hamze_MM-1835_111n","MS1 isotopic spectrum":"841.50317:121342400 842.50652:129355448 843.50988:40531860","MS/MS spectrum":"117.07053:14879 121.10226:15934 133.10146:22375 135.1174:16328 137.13293:11603 147.11826:14146 149.13319:19655 151.1479:11914 152.99423:189778 161.13177:12893 163.14897:19748 171.00688:15201 177.16368:50238 178.27275:26404 191.10698:14219 191.18074:35381 203.17812:51051 205.19556:30941 227.02942:9054 227.18008:12676 229.19711:167828 238.21745:9685 249.18564:46173 255.2097:16814 257.22647:122502 259.24033:128023 283.24054:969472 285.22137:29136 285.25757:55199 301.21417:478317 302.22141:20860 303.2337:4630229 304.23401:10568 309.22293:18639 327.23111:1557261 328.23761:11086 329.24878:648026 343.20557:9439 389.76962:10082 509.35916:10386 513.26953:9923 531.27142:33090 537.26447:11532 555.27411:12990 715.68066:11228 841.49811:47510"},{"Metabolite":"PG 42:11|PG 20:5_22:6","Alignment ID":"3543","Average Rt(min)":"9.212","Average Mz":"839.48755","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"7.9","Reference m/z":"839.48688","Formula":"C48H73O10P","Ontology":"PG","INCHIKEY":"YDODBXWAZBDOGC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"48.8","Reverse dot product":"68.2","Fragment presence %":"100","S/N average":"100601.35","Spectrum reference file name":"210226_Hamze_MM-1835_069n","MS1 isotopic spectrum":"839.4881:23642932 840.49145:17958824 841.49481:4611821","MS/MS spectrum":"121.10223:11302 133.10143:7389 135.11737:6783 140.74423:7636 149.13315:15051 151.14786:14234 152.99419:98157 163.0751:10923 163.14893:14358 168.5016:8197 177.16364:27763 178.24203:20101 183.50946:9645 189.16461:10123 191.18069:16676 203.18117:58698 223.17134:14103 229.19704:92325 249.18556:17870 257.22638:338330 281.24985:8910 283.24048:433485 299.20352:9929 301.2197:1049410 303.23361:21490 327.23102:648772 529.25226:16272 555.27399:12554 839.50946:18500"},{"Metabolite":"PG 42:7|PG 20:1_22:6","Alignment ID":"3605","Average Rt(min)":"10.167","Average Mz":"847.54944","Adduct type":"[M-H]-","Fill %":"0.586","MS/MS assigned":"TRUE","Reference RT":"8.55","Reference m/z":"847.5495","Formula":"C48H81O10P","Ontology":"PG","INCHIKEY":"UTXXKYMLBDGHPQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"55.7","Reverse dot product":"80.6","Fragment presence %":"100","S/N average":"1968.08","Spectrum reference file name":"210226_Hamze_MM-1835_045n","MS1 isotopic spectrum":"847.54974:36955996 848.55309:46024748 849.55645:15830973","MS/MS spectrum":"121.10224:12242 133.10144:11754 135.11739:13187 152.99623:502259 177.16364:29025 191.18071:16846 222.99963:144683 229.19705:104354 231.21086:21446 241.01302:646972 249.18558:18636 255.23154:15648 259.02081:69515 265.21704:13109 267.23184:15508 269.2507:809694 279.23505:777844 281.24985:13887 283.24561:563191 285.25751:92831 293.24817:20259 295.26419:18881 296.26907:14076 297.03711:123749 303.23364:44749 305.25064:59677 307.26471:821490 309.28125:5356288 315.04874:36592 327.23105:911787 329.24872:332458 331.26569:43461 333.28165:40193 405.24429:331456 415.22632:42329 423.25354:26541 463.22989:46820 519.31525:11540 537.26434:23101 555.27399:41330 567.2948:306680 577.27521:70131 585.31042:84057 595.28845:11835 812.96875:10803 847.53217:1079678"},{"Metabolite":"PG 42:8|PG 20:4_22:4","Alignment ID":"3581","Average Rt(min)":"9.825","Average Mz":"845.53326","Adduct type":"[M-H]-","Fill %":"0.683","MS/MS assigned":"TRUE","Reference RT":"8.25","Reference m/z":"845.53381","Formula":"C48H79O10P","Ontology":"PG","INCHIKEY":"VPSNROSTZAMHMK-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"72","Reverse dot product":"75.1","Fragment presence %":"100","S/N average":"1904.87","Spectrum reference file name":"210226_Hamze_MM-1835_101n","MS1 isotopic spectrum":"845.53418:26929376 846.53753:22557152 847.54089:6491742","MS/MS spectrum":"152.99617:172824 171.00677:10923 178.2701:24915 205.12286:12466 205.19543:61784 217.19783:10887 222.99954:31425 233.22829:24663 241.01292:123557 259.24466:314917 267.23172:161011 279.23492:203335 283.24551:18738 285.22119:24243 287.27512:109479 297.03699:20902 303.23352:3066474 305.25052:108034 307.26459:107070 313.24921:11644 315.04861:11601 327.23093:38937 329.2486:68718 331.26556:3527696 403.22836:67819 415.22614:11502 417.1954:11010 531.27106:12675 559.29944:20959 565.28345:49939 845.52203:235393"},{"Metabolite":"PG 42:9|PG 20:3_22:6","Alignment ID":"3564","Average Rt(min)":"9.575","Average Mz":"843.51581","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"8.12","Reference m/z":"843.51819","Formula":"C48H77O10P","Ontology":"PG","INCHIKEY":"IUAHNRBNAVSHBB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"43.2","Reverse dot product":"72.3","Fragment presence %":"100","S/N average":"8761.74","Spectrum reference file name":"210226_Hamze_MM-1835_125n","MS1 isotopic spectrum":"843.51678:57280116 844.52013:49642616 845.52349:15595505","MS/MS spectrum":"133.10298:11443 135.11728:9526 149.13306:12854 152.99612:239917 163.14882:9104 171.00671:9919 175.1478:9623 177.09264:9950 177.16351:22279 191.18056:24490 205.19536:33033 209.0226:13333 217.19775:14768 223.00304:10589 227.03288:13025 229.19688:95212 231.21069:46645 241.01285:40334 241.21786:31778 249.18539:24192 251.20369:11598 259.24457:102818 261.25955:24653 281.24963:12903 283.24539:515957 285.24179:23227 285.25729:223061 297.04239:11142 301.21948:9757 303.2334:1156957 304.23941:10894 305.25043:2950989 306.25497:10813 327.2308:787444 329.24847:725887 331.26544:29870 441.24353:11860 463.22955:9620 515.2851:16391 533.28821:24319 537.26392:12479 539.26172:12824 555.27362:11229 843.51904:90263"},{"Metabolite":"PG 44:10|PG 22:4_22:6","Alignment ID":"3790","Average Rt(min)":"9.704","Average Mz":"869.53192","Adduct type":"[M-H]-","Fill %":"0.676","MS/MS assigned":"TRUE","Reference RT":"8.12","Reference m/z":"869.53381","Formula":"C50H79O10P","Ontology":"PG","INCHIKEY":"NMXDCYBWFBLANN-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"70.6","Reverse dot product":"61.7","Fragment presence %":"100","S/N average":"8119.14","Spectrum reference file name":"210226_Hamze_MM-1835_056n","MS1 isotopic spectrum":"869.53186:55765732 870.53521:53679512 871.53857:20014426","MS/MS spectrum":"117.07051:14366 121.10225:17758 133.10144:24535 135.11739:22124 147.11823:18806 149.13318:23723 152.99422:267279 161.13176:9664 163.07513:25694 163.14894:29696 165.1655:9688 171.00685:12532 175.14793:22326 177.16365:80430 181.12282:10951 191.18073:43331 203.1812:16271 205.12296:16543 205.19553:9080 220.06836:9017 227.03307:17375 229.19708:223634 231.21088:20207 233.22839:34131 249.18559:55844 255.20967:10885 283.24051:1233248 284.24634:10698 285.25754:195042 286.26373:13633 287.27527:236799 297.22409:13855 297.30115:8782 303.23367:13975 309.2229:23308 311.24109:9564 313.25531:18785 327.23108:2064619 328.23758:18773 329.24875:951203 330.25168:27290 331.26572:6659326 337.99548:12636 355.26294:13437 404.31747:10635 425.93076:10125 537.26434:10280 541.29822:10766 555.27405:24812 557.28851:14273 559.29974:35314 645.01624:9676 676.23492:9920 791.31085:10611 807.98932:9708 869.54272:43924"},{"Metabolite":"PG 44:10|PG 22:5_22:5","Alignment ID":"3791","Average Rt(min)":"9.842","Average Mz":"869.53381","Adduct type":"[M-H]-","Fill %":"0.697","MS/MS assigned":"TRUE","Reference RT":"8.17","Reference m/z":"869.53381","Formula":"C50H79O10P","Ontology":"PG","INCHIKEY":"CSHJHZDRNJSEJU-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"42.1","Reverse dot product":"76.3","Fragment presence %":"100","S/N average":"1533.13","Spectrum reference file name":"210226_Hamze_MM-1835_045n","MS1 isotopic spectrum":"869.53455:46841484 870.5379:41549496 871.54126:13312635","MS/MS spectrum":"117.0705:10109 152.99623:154489 163.07512:11161 163.14893:14255 177.16617:9095 178.26761:53608 179.18088:21888 209.0195:12691 222.99963:23100 227.03305:12218 229.19705:30759 231.21086:127347 241.01302:74845 251.1996:18855 259.02081:9978 267.23184:100307 281.24985:13190 283.24048:137480 285.25751:704197 287.27524:29499 297.03711:11558 301.21408:8291 303.23364:101227 311.24106:17630 327.23105:235198 329.24872:2130442 330.25168:10068 331.26569:706749 403.22852:24376 539.27557:18248 557.28845:12851 559.3139:11392 565.28363:25653 579.05145:10863 583.29352:15755 770.59875:9766 869.51514:155032"},{"Metabolite":"PG 44:11|PG 22:5_22:6","Alignment ID":"3770","Average Rt(min)":"9.586","Average Mz":"867.51807","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"8.05","Reference m/z":"867.51819","Formula":"C50H77O10P","Ontology":"PG","INCHIKEY":"XLPVYDBPWNWRKK-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"65.4","Reverse dot product":"65.9","Fragment presence %":"100","S/N average":"10375.76","Spectrum reference file name":"210226_Hamze_MM-1835_054n","MS1 isotopic spectrum":"867.51782:199205600 868.52117:253357344 869.52453:87689648","MS/MS spectrum":"117.0705:68055 119.08588:35675 121.10223:88636 133.10143:93688 135.11737:104625 137.1329:38806 141.09088:19706 143.08572:34197 147.11821:55479 149.13315:101655 151.14986:31603 152.99622:835559 153.09177:27124 155.10658:27687 157.10223:20592 159.11725:19234 161.13393:74367 163.0751:111175 163.14893:105684 165.16319:28518 167.10826:25060 171.00682:47394 175.1479:47577 177.09023:46688 177.16364:294449 178.27014:90927 179.18086:99551 181.12279:21550 189.16461:73067 191.10692:33749 191.18069:177924 193.19456:28573 203.10655:38180 203.18117:66359 205.1955:62345 209.02274:27008 215.17749:22083 217.12231:31295 217.19791:35174 219.1389:23162 219.21207:33201 227.03304:34343 229.19704:835154 231.13914:35904 231.21085:774383 241.19389:39175 243.20932:57788 245.04407:37173 245.1553:28884 249.18556:238669 251.19958:132547 255.20963:65771 257.22638:64489 281.22452:18508 283.24048:4293894 285.25748:4218093 297.22406:19484 299.23688:45684 309.22284:70042 311.24106:89831 327.23102:6716823 329.24869:12331854 330.25165:26360 537.26428:27509 539.27557:25205 555.27399:109999 557.28839:110326 867.50891:96479"},{"Metabolite":"PG 44:12|PG 22:6_22:6","Alignment ID":"3758","Average Rt(min)":"9.347","Average Mz":"865.50244","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"7.84","Reference m/z":"865.5025","Formula":"C50H75O10P","Ontology":"PG","INCHIKEY":"XACKZSRNTPEYBU-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"52.2","Reverse dot product":"56.9","Fragment presence %":"100","S/N average":"269457.06","Spectrum reference file name":"210226_Hamze_MM-1835_019n","MS1 isotopic spectrum":"865.50262:574487104 866.50597:786177536 867.50933:274361760","MS/MS spectrum":"117.07052:14077 119.08591:8028 121.10226:30107 123.11743:12066 131.08678:9925 133.10146:35871 135.1174:24889 137.13293:18142 143.08575:10660 145.10257:8080 147.11824:18484 149.13318:25568 152.99625:185684 161.13177:21908 163.07515:22153 163.14896:30920 171.00687:11039 175.14795:24862 177.16367:100200 181.12282:12872 187.15007:12350 189.16466:14461 191.18073:43770 203.18121:24025 217.19795:12774 229.1971:335457 231.13919:10174 241.19797:14169 242.12569:9666 249.18562:78459 255.21407:14395 257.15558:8852 281.22458:11201 283.24054:1710892 309.2229:31428 327.23108:2560550 329.24875:30833 337.98883:10194 537.2644:13049 555.27411:47762 865.48254:23175"},{"Metabolite":"PG 46:12|PG 22:6_24:6","Alignment ID":"3999","Average Rt(min)":"9.591","Average Mz":"893.53168","Adduct type":"[M-H]-","Fill %":"0.931","MS/MS assigned":"TRUE","Reference RT":"8.34","Reference m/z":"893.53381","Formula":"C52H79O10P","Ontology":"PG","INCHIKEY":"BIOASUDAGHOGFR-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"40","Reverse dot product":"73.7","Fragment presence %":"100","S/N average":"2262.89","Spectrum reference file name":"210226_Hamze_MM-1835_124n","MS1 isotopic spectrum":"893.53613:416578 894.53948:286681 895.54284:114339","MS/MS spectrum":"91.76588:4318 95.0661:4687 100.80405:5046 115.20792:6609 125.74603:6890 126.0281:6389 152.99609:9122 164.81265:7772 172.3228:7320 225.49077:8082 230.31488:7969 241.01282:50895 261.19153:8138 267.2316:42350 280.40579:9443 283.24023:19971 327.23074:40395 333.81113:9562 355.2626:12070 403.22818:12509 434.96216:9523 471.70428:10431 515.03394:10246 565.26874:24972 709.36981:10391 893.50983:41107"},{"Metabolite":"PG O-29:0|PG O-13:0_16:0","Alignment ID":"1963","Average Rt(min)":"8.438","Average Mz":"665.47491","Adduct type":"[M-H]-","Fill %":"0.841","MS/MS assigned":"TRUE","Reference RT":"8.73","Reference m/z":"665.47632","Formula":"C35H71O9P","Ontology":"EtherPG","INCHIKEY":"JHHHIMZZFNZKKD-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"90.7","RT similarity":"100","Dot product":"21.9","Reverse dot product":"27.8","Fragment presence %":"100","S/N average":"145.99","Spectrum reference file name":"210226_Hamze_MM-1835_004n","MS1 isotopic spectrum":"665.47418:204723 666.47753:158508 667.48089:0","MS/MS spectrum":"101.25108:4944 215.19432:9490 255.23138:24918 305.25046:25289 337.23593:11191 408.45123:10124 515.20978:9569 583.47473:11000"},{"Metabolite":"PG O-35:5|PG O-15:1_20:4","Alignment ID":"2672","Average Rt(min)":"9.623","Average Mz":"739.49921","Adduct type":"[M-H]-","Fill %":"0.828","MS/MS assigned":"TRUE","Reference RT":"8.49","Reference m/z":"739.49188","Formula":"C41H73O9P","Ontology":"EtherPG","INCHIKEY":"YJWIEKJYQVVIMT-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCC=CCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"36.3","Reverse dot product":"91.6","Fragment presence %":"100","S/N average":"153.97","Spectrum reference file name":"210226_Hamze_MM-1835_028n","MS1 isotopic spectrum":"739.49927:427160 740.50262:299076 741.50598:85497","MS/MS spectrum":"90.7866:3858 93.97495:5034 95.88653:5272 96.07027:5217 112.68252:6944 112.69921:5800 130.69283:6855 135.60435:6852 141.36118:6536 146.06061:6612 152.99622:14620 178.24715:48323 186.00624:8080 227.20209:64721 241.23412:7862 253.21649:53212 279.23502:29663 283.26608:12453 302.89938:8905 303.23361:32250 304.23392:33547 477.27542:12080 493.49634:9219 655.95276:10372 739.50934:58460"},{"Metabolite":"PG O-36:2|PG O-16:1_20:1","Alignment ID":"2855","Average Rt(min)":"14.384","Average Mz":"759.55603","Adduct type":"[M-H]-","Fill %":"0.938","MS/MS assigned":"TRUE","Reference RT":"10.59","Reference m/z":"759.5545","Formula":"C42H81O9P","Ontology":"EtherPG","INCHIKEY":"QDKVDOBDHHITEO-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCC=CCCCCCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"20.4","Reverse dot product":"92.9","Fragment presence %":"100","S/N average":"792.21","Spectrum reference file name":"210226_Hamze_MM-1835_082n","MS1 isotopic spectrum":"759.55536:6709536 760.55871:5787612 761.56207:2100069","MS/MS spectrum":"100.988:6293 112.9849:179993 113.9896:8322 116.01144:47505 125.99627:11816 127.85395:6317 131.03516:36608 139.00359:23927 140.01202:30834 144.72975:7563 155.03398:125229 166.99927:85446 175.0782:7787 178.06328:38179 178.26755:51910 182.02115:49747 183.02991:40794 187.06204:13297 191.06999:22263 214.04996:44806 255.23145:39317 256.23697:20698 259.13266:13396 261.11462:14609 264.86487:9231 281.24976:31071 282.25009:27774 283.25574:10058 309.28116:277995 310.2822:256886 311.28815:9258 312.29895:12622 337.30917:53385 338.3158:47095 449.32431:16422 466.32803:25555 467.33521:22233 629.54059:23979 640.51929:18871 651.50195:11932 655.50183:378525 667.50293:22412 668.52246:29863 669.48859:18366 670.49408:28893 683.54364:62660 685.52429:59564 699.53375:32364 727.52209:362478 741.54297:29488 759.55621:259821"},{"Metabolite":"PG O-38:4|PG O-18:3_20:1","Alignment ID":"3067","Average Rt(min)":"9.155","Average Mz":"783.55621","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"10.31","Reference m/z":"783.5545","Formula":"C44H81O9P","Ontology":"EtherPG","INCHIKEY":"WPXHEZURXZRVFS-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO)CCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"60.1","Reverse dot product":"83.8","Fragment presence %":"100","S/N average":"72.4","Spectrum reference file name":"210226_Hamze_MM-1835_020n","MS1 isotopic spectrum":"783.55548:699485 784.55883:654160 785.56219:208265","MS/MS spectrum":"99.16614:5437 100.93359:23411 108.17583:6663 113.36114:5153 116.6149:7124 158.97516:17303 178.2702:42233 179.8679:8542 180.4547:7651 244.85069:8392 279.23511:13720 282.08231:9157 289.35681:8725 295.22614:13027 296.23083:15799 309.28134:28829 405.97238:9045 451.21216:63626 486.57828:9283 489.15836:8961 783.55316:221027"},{"Metabolite":"PG O-40:7|PG O-18:1_22:6","Alignment ID":"3264","Average Rt(min)":"12.161","Average Mz":"805.5343","Adduct type":"[M-H]-","Fill %":"0.545","MS/MS assigned":"TRUE","Reference RT":"9.21","Reference m/z":"805.53888","Formula":"C46H79O9P","Ontology":"EtherPG","INCHIKEY":"OCZFCULPKNRXJV-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(O)CO)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"12.2","Reverse dot product":"62.8","Fragment presence %":"100","S/N average":"116.84","Spectrum reference file name":"210226_Hamze_MM-1835_136n","MS1 isotopic spectrum":"805.5343:670799 806.53765:1483851 807.54101:0","MS/MS spectrum":"118.48402:5865 123.42161:6061 140.01208:30372 177.34863:7824 180.57445:8314 196.03667:37260 229.19708:13066 230.19881:9664 255.23157:37039 279.23508:55272 281.24988:59418 282.25021:21575 283.24051:68861 284.24634:60363 297.27914:206322 298.28326:156375 327.23108:110290 328.23758:109564 382.63156:9548 399.78201:9046 494.32141:21587 495.32596:26128 508.8288:9679 547.86127:10045 805.55353:11220"},{"Metabolite":"PI 34:2|PI 16:0_18:2","Alignment ID":"3492","Average Rt(min)":"9.954","Average Mz":"833.51752","Adduct type":"[M-H]-","Fill %":"0.676","MS/MS assigned":"TRUE","Reference RT":"8.18","Reference m/z":"833.51862","Formula":"C43H79O13P","Ontology":"PI","INCHIKEY":"BSNJSZUDOMPYIR-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"80","Reverse dot product":"89.6","Fragment presence %":"100","S/N average":"48579.48","Spectrum reference file name":"210226_Hamze_MM-1835_010n","MS1 isotopic spectrum":"833.51721:418785280 834.52056:401903936 835.52392:123830328","MS/MS spectrum":"134.98421:203607 152.99619:6576420 171.00679:171041 178.27011:543674 222.99956:5650259 241.01294:23282488 253.21643:70252 255.23145:29757030 259.02072:2106326 279.23495:30965822 281.24976:875770 282.25009:472388 295.2641:197730 297.03702:4151991 315.04865:1321278 327.23093:120603 391.22763:13039802 409.23242:1086355 415.2262:1722092 417.24118:131348 418.24042:128580 433.23386:78582 435.245:71574 497.24881:118359 553.28442:11338651 571.29071:2881806 577.27502:2561042 595.28827:331148 671.46448:139244 807.69318:66862 833.50897:41501056"},{"Metabolite":"PI 34:4|PI 14:0_20:4","Alignment ID":"3449","Average Rt(min)":"9.481","Average Mz":"829.48535","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"7.89","Reference m/z":"829.4873","Formula":"C43H75O13P","Ontology":"PI","INCHIKEY":"QVNDJTNVDUGLKZ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"73.6","Reverse dot product":"84.6","Fragment presence %":"100","S/N average":"257.29","Spectrum reference file name":"210226_Hamze_MM-1835_097n","MS1 isotopic spectrum":"829.4881:2420220 830.49145:3128414 831.49481:925274","MS/MS spectrum":"96.26566:5204 118.36496:7462 119.42282:6484 121.20671:6565 122.92837:6358 127.52242:7079 147.72739:7424 152.99617:58964 223.00311:40164 227.202:239320 234.44917:7999 241.01292:212525 259.02069:21955 259.24463:30724 291.2312:27298 293.17258:10620 297.03699:41046 303.23349:328563 315.04861:22060 344.36197:10122 363.19382:97379 368.24738:9366 447.81461:9670 525.24847:83673 543.26392:23866 601.27441:17202 673.93695:10643 829.49286:300002"},{"Metabolite":"PI 35:2|PI 17:0_18:2","Alignment ID":"3604","Average Rt(min)":"10.222","Average Mz":"847.53308","Adduct type":"[M-H]-","Fill %":"0.848","MS/MS assigned":"TRUE","Reference RT":"8.37","Reference m/z":"847.53418","Formula":"C44H81O13P","Ontology":"PI","INCHIKEY":"AJAKJCJJRMUWFW-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"80","Reverse dot product":"89.9","Fragment presence %":"100","S/N average":"4463.4","Spectrum reference file name":"210226_Hamze_MM-1835_029n","MS1 isotopic spectrum":"847.5332:35458596 848.53655:33203524 849.53991:10550390","MS/MS spectrum":"96.96928:22165 134.98595:18765 148.92805:11257 152.99623:624492 171.00684:11925 178.26505:33408 222.99963:550823 241.01303:2324784 259.02081:201447 267.23184:15340 269.2507:2901824 270.25443:10183 279.23505:3011600 281.24985:33294 283.24561:25327 285.25751:18565 293.24817:10287 295.26419:29929 296.26907:26888 297.03711:403901 307.26471:92418 309.28128:272487 315.04874:138979 327.23105:58509 329.24872:41523 405.24429:1214074 415.22632:192455 423.25357:90347 511.2652:12064 540.25848:11165 567.29486:1157124 577.27521:242964 585.31049:273984 595.28845:31926 847.53217:4287934"},{"Metabolite":"PI 36:1|PI 18:0_18:1","Alignment ID":"3747","Average Rt(min)":"11.026","Average Mz":"863.56403","Adduct type":"[M-H]-","Fill %":"0.8","MS/MS assigned":"TRUE","Reference RT":"8.87","Reference m/z":"863.56549","Formula":"C45H85O13P","Ontology":"PI","INCHIKEY":"YOBFISPJJWPPTK-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"76.9","Reverse dot product":"93.6","Fragment presence %":"100","S/N average":"4979.04","Spectrum reference file name":"210226_Hamze_MM-1835_121n","MS1 isotopic spectrum":"863.56561:103514368 864.56896:206622176 865.57232:104518816","MS/MS spectrum":"116.53505:10289 134.98416:12667 152.99611:404310 168.04213:20595 171.00671:31504 171.05234:10568 178.24448:31891 222.99947:195694 224.06879:20048 229.19688:13405 232.22565:10681 241.01283:783356 255.23134:375678 259.02063:84111 281.24963:800710 283.26587:898468 284.26669:20022 297.03687:128985 309.28104:193093 315.04849:55953 327.2308:202631 391.22748:58639 417.241:26862 419.25226:370924 437.26999:25620 445.27145:16355 480.31219:51580 487.24686:24904 507.26685:17402 533.59247:12363 553.28418:53099 579.29047:99690 581.30164:310814 597.30481:16433 599.3161:105596 607.31909:16379 790.54596:15667 863.57129:1926697"},{"Metabolite":"PI 36:10","Alignment ID":"3580","Average Rt(min)":"10.105","Average Mz":"845.42938","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"7.18","Reference m/z":"845.42468","Formula":"C45H67O13P","Ontology":"PI","INCHIKEY":"AHVNKMVDLSEKOY-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"83.4","RT similarity":"100","Dot product":"25.9","Reverse dot product":"79.2","Fragment presence %":"83.3","S/N average":"391.85","Spectrum reference file name":"210226_Hamze_MM-1835_065n","MS1 isotopic spectrum":"845.42505:1888336 846.4284:2704760 847.43176:867378","MS/MS spectrum":"100.93356:13811 116.92781:10538 118.88659:5889 125.10664:5890 132.23512:6317 147.91074:7321 152.99417:25884 154.94286:7784 159.03107:7401 164.90596:8728 172.95372:22827 175.94702:7544 196.89406:10921 206.91356:10518 235.91689:17180 236.92387:33800 241.01299:10774 252.91821:12740 255.23149:63511 279.22998:36570 294.97018:27399 303.23358:11507 307.26465:13428 331.26562:10937 387.58102:9957 391.22769:16862 403.13284:23307 427.13177:38089 475.15536:21892 548.17798:14560 754.39093:87314 797.41638:12018 809.39655:17870 827.41925:42973 845.41663:106874"},{"Metabolite":"PI 36:2|PI 18:1_18:1","Alignment ID":"3728","Average Rt(min)":"10.511","Average Mz":"861.54767","Adduct type":"[M-H]-","Fill %":"0.966","MS/MS assigned":"TRUE","Reference RT":"8.62","Reference m/z":"861.54993","Formula":"C45H83O13P","Ontology":"PI","INCHIKEY":"LALGUHSIWLNTNW-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"78.6","Reverse dot product":"92.9","Fragment presence %":"100","S/N average":"48074.9","Spectrum reference file name":"210226_Hamze_MM-1835_044n","MS1 isotopic spectrum":"861.54846:157886352 862.55181:134656592 863.55517:47106976","MS/MS spectrum":"96.9693:16200 134.98428:18573 152.99626:1202152 171.00688:82723 178.24464:28611 204.99057:19573 222.99968:439210 241.01308:1353694 255.23158:59536 259.02087:125192 279.23511:46625 281.24991:3508079 283.26614:112071 297.03717:252558 307.26477:59697 309.28134:18293 315.0488:85983 321.28195:21078 323.29471:47978 327.23111:19991 333.28171:14856 334.28348:16743 391.22784:30499 417.24139:818936 419.25269:17346 435.25497:55329 485.23273:119879 507.26733:26836 553.28473:13165 577.27533:115214 579.29102:826303 581.30225:22768 597.30536:198752 599.31665:39745 769.49768:68306 787.50079:14173 861.55933:4010336"},{"Metabolite":"PI 36:3|PI 16:0_20:3","Alignment ID":"3713","Average Rt(min)":"10.275","Average Mz":"859.5354","Adduct type":"[M-H]-","Fill %":"0.883","MS/MS assigned":"TRUE","Reference RT":"8.35","Reference m/z":"859.53418","Formula":"C45H81O13P","Ontology":"PI","INCHIKEY":"UIRZYDCTGNCXNQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"73.3","Reverse dot product":"87.9","Fragment presence %":"100","S/N average":"4197","Spectrum reference file name":"210226_Hamze_MM-1835_098n","MS1 isotopic spectrum":"859.53375:179350240 860.5371:160877728 861.54046:53311396","MS/MS spectrum":"134.98587:70528 152.99615:1882154 171.00676:54269 178.24452:51921 222.99953:1572924 241.01291:7045400 243.01793:31476 255.23141:6814073 256.23694:109154 257.23956:37749 259.02069:703098 261.25961:205329 277.21689:1602436 279.23489:382087 281.24973:314991 283.26596:1225858 287.23849:59040 291.23651:32885 297.03696:1112778 303.23349:140169 304.2338:103977 305.25049:9555201 315.04858:461112 391.22757:2739317 392.2265:37671 409.23236:177692 413.20764:59770 417.24112:110221 419.25238:427926 437.27011:43818 441.24365:297791 553.28436:2453576 571.29059:855652 575.26971:94606 577.28979:32885 579.29059:80693 581.31689:423389 597.30493:33678 599.31622:123654 603.28992:524601 621.31189:92201 859.52594:9682644"},{"Metabolite":"PI 36:3|PI 18:1_18:2","Alignment ID":"3712","Average Rt(min)":"10.075","Average Mz":"859.53467","Adduct type":"[M-H]-","Fill %":"0.683","MS/MS assigned":"TRUE","Reference RT":"8.21","Reference m/z":"859.53418","Formula":"C45H81O13P","Ontology":"PI","INCHIKEY":"MXJMOLQIXMJUEL-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"80.4","Reverse dot product":"89.3","Fragment presence %":"100","S/N average":"14573.66","Spectrum reference file name":"210226_Hamze_MM-1835_049n","MS1 isotopic spectrum":"859.53442:297453824 860.53777:262899104 861.54113:85914752","MS/MS spectrum":"134.98582:43492 152.99611:1272414 161.04601:15143 171.0067:23363 178.24446:68447 204.99036:15622 222.99945:1041628 241.01282:4513765 242.01627:30572 243.01785:13629 255.23132:82084 256.23685:53527 257.23947:16344 259.0206:392611 279.2348:5595634 281.24963:6220497 297.03687:804882 303.2334:71374 304.23938:70053 305.23895:26738 307.26447:20959 315.04849:255291 331.26541:16288 391.22745:29554 392.22638:22586 415.22598:343303 417.24097:2332542 433.23364:13795 435.25452:165315 523.27631:13354 553.28418:18191 554.2774:19164 555.2876:23296 572.30334:13514 573.28955:14698 577.27472:479673 579.29041:2189514 595.28796:76529 597.30475:555215 697.47198:22405 859.52563:7741027"},{"Metabolite":"PI 36:4|PI 16:0_20:4","Alignment ID":"3691","Average Rt(min)":"9.915","Average Mz":"857.51691","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"8.13","Reference m/z":"857.51862","Formula":"C45H79O13P","Ontology":"PI","INCHIKEY":"VWRYMIZQLPXULA-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"77.1","Reverse dot product":"86.9","Fragment presence %":"100","S/N average":"96598.02","Spectrum reference file name":"210226_Hamze_MM-1835_128n","MS1 isotopic spectrum":"857.51691:3798888960 858.52026:3846450944 859.52362:1318572416","MS/MS spectrum":"134.98424:8962 152.99622:328606 171.00682:10237 178.24458:19392 205.19548:25041 222.9996:255398 228.15742:9379 241.01299:1198234 255.23151:1411450 259.02078:120959 259.24472:118980 275.20114:12107 279.22998:16854 281.24982:20587 283.26605:19202 297.03708:223026 303.23358:1672382 315.04871:88803 319.22659:9971 361.57922:10763 391.22772:547813 409.23251:47660 439.22064:41649 553.28455:485421 571.29077:187678 581.302:11162 601.2746:102046 619.28845:16110 857.52753:1597175"},{"Metabolite":"PI 36:4|PI 18:2_18:2","Alignment ID":"3690","Average Rt(min)":"9.915","Average Mz":"857.51648","Adduct type":"[M-H]-","Fill %":"0.855","MS/MS assigned":"TRUE","Reference RT":"8.06","Reference m/z":"857.51862","Formula":"C45H79O13P","Ontology":"PI","INCHIKEY":"JTPRPYYVVJBCFF-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"73.1","Reverse dot product":"85.1","Fragment presence %":"100","S/N average":"1661.76","Spectrum reference file name":"210226_Hamze_MM-1835_076n","MS1 isotopic spectrum":"857.51886:45527644 858.52221:45209500 859.52557:14864352","MS/MS spectrum":"134.98586:33905 152.99612:806588 171.00673:18815 178.24449:17560 223.00305:645701 241.01286:2847321 253.21634:120725 255.23135:32412 256.23691:29345 259.02063:243498 277.21683:107910 279.23486:7037688 281.24966:102939 297.0369:482598 303.23343:16894 304.23941:15924 305.25043:162012 315.04852:165656 329.2485:35779 330.25143:27981 389.20807:46024 413.20755:30757 415.22604:1497320 417.24103:19675 433.2337:109041 521.25165:15482 551.26367:38637 575.26965:33743 577.27484:1430630 579.29047:17656 595.28802:345660 603.28979:13526 857.5271:4015250"},{"Metabolite":"PI 37:3|PI 19:1_18:2","Alignment ID":"3822","Average Rt(min)":"10.359","Average Mz":"873.54749","Adduct type":"[M-H]-","Fill %":"0.552","MS/MS assigned":"TRUE","Reference RT":"8.59","Reference m/z":"873.54993","Formula":"C46H83O13P","Ontology":"PI","INCHIKEY":"KHDHUQSKLIQNHH-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCC=CCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"74.9","Reverse dot product":"90.8","Fragment presence %":"100","S/N average":"2777.42","Spectrum reference file name":"210226_Hamze_MM-1835_074n","MS1 isotopic spectrum":"873.55011:51956048 874.55346:78984584 875.55682:24422968","MS/MS spectrum":"152.99617:310530 222.99954:254314 241.01292:1056952 242.01637:11380 243.01794:18544 255.23143:14460 259.02072:103523 267.23172:33378 269.25058:179381 270.2543:44512 271.25403:10380 277.21689:14608 279.23492:972999 281.24976:80667 283.24039:14151 284.26678:14983 285.26773:10057 289.21924:11194 293.24805:76593 295.26407:1133589 297.03699:178307 303.23352:42555 304.2338:64252 305.24478:170567 307.26459:31750 315.04861:53282 327.2309:29913 329.24857:17172 331.26553:11873 333.28149:47148 335.29614:95244 403.22836:10472 405.24414:67197 406.24451:15796 415.22614:52125 417.24115:24408 431.25583:388088 449.26294:25867 565.28345:15445 567.29462:73175 568.29694:12368 569.30194:15753 577.27496:79055 579.3056:15323 585.31024:12105 593.31262:372653 595.28821:10944 603.28998:10809 611.3241:82686 873.54803:1840319"},{"Metabolite":"PI 37:4|PI 17:0_20:4","Alignment ID":"3805","Average Rt(min)":"10.18","Average Mz":"871.53418","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"8.29","Reference m/z":"871.53418","Formula":"C46H81O13P","Ontology":"PI","INCHIKEY":"NHCUHDJVBAQLLF-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"77.5","Reverse dot product":"86.8","Fragment presence %":"100","S/N average":"34927.14","Spectrum reference file name":"210226_Hamze_MM-1835_111n","MS1 isotopic spectrum":"871.53387:329074240 872.53722:326824480 873.54058:112818888","MS/MS spectrum":"134.98428:133249 152.99626:4493242 163.07739:48943 171.00688:94053 177.0928:56339 178.27275:72580 204.99057:67046 205.19556:388020 222.99968:4062898 241.01308:17730472 259.02087:1634256 259.24481:2069661 269.246:21601922 281.24484:47626 283.26102:73827 285.22137:89767 289.21942:66824 297.03717:3088930 303.2337:24442658 315.0488:1289991 334.90118:46155 405.24438:8069364 423.25363:667820 439.22079:808088 457.23004:47819 511.26529:67928 567.29498:8373690 585.31061:2481524 601.27484:1405177 619.28864:241566 871.52844:24705792"},{"Metabolite":"PI 37:5|PI 17:1_20:4","Alignment ID":"3789","Average Rt(min)":"9.746","Average Mz":"869.52057","Adduct type":"[M-H]-","Fill %":"0.628","MS/MS assigned":"TRUE","Reference RT":"8.13","Reference m/z":"869.51862","Formula":"C46H79O13P","Ontology":"PI","INCHIKEY":"RORLLARSMMOWBD-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCC=CCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"71","Reverse dot product":"84.8","Fragment presence %":"100","S/N average":"135944.08","Spectrum reference file name":"210226_Hamze_MM-1835_139n","MS1 isotopic spectrum":"869.51959:22844338 870.52294:22761350 871.5263:7460698","MS/MS spectrum":"96.96927:13675 134.98593:10266 152.99622:444758 171.00682:11089 178.24715:23261 205.19548:32959 222.9996:324887 229.19704:19227 241.013:1451982 255.23151:10754 259.02078:133493 259.24472:175674 267.23181:1877946 281.24982:19523 283.24557:74219 285.22644:15470 285.25748:14369 287.27521:15669 291.23663:12191 297.03708:239032 303.23361:2002128 315.04871:102772 327.23102:132249 329.24869:111900 331.26566:442866 403.22849:612439 421.23196:52077 439.23053:55200 565.28357:589871 583.29346:202584 601.27466:119205 619.28845:15314 869.51508:1733467"},{"Metabolite":"PI 38:4|PI 18:0_20:4","Alignment ID":"3926","Average Rt(min)":"10.402","Average Mz":"885.54785","Adduct type":"[M-H]-","Fill %":"0.552","MS/MS assigned":"TRUE","Reference RT":"8.45","Reference m/z":"885.54993","Formula":"C47H83O13P","Ontology":"PI","INCHIKEY":"OJESNYFIPWSOPO-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"FALSE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"77","Reverse dot product":"86.9","Fragment presence %":"100","S/N average":"413791.34","Spectrum reference file name":"210226_Hamze_MM-1835_132n","MS1 isotopic spectrum":"885.54877:7386196992 886.55212:5763832320 887.55548:1985173504","MS/MS spectrum":"134.9843:333406 152.99626:10206298 171.00688:252680 177.09282:150200 205.19556:879386 222.99969:8996401 241.01308:37554308 259.02087:3481963 259.24481:4232428 281.24994:878099 283.26614:47455136 285.22137:287107 297.03717:6710009 303.2337:51494152 304.23972:149077 305.25073:891498 315.04883:2735098 415.19916:118033 417.23227:201593 419.25269:17764338 437.27042:1392348 439.22079:1586254 579.30603:141544 581.30225:16080431 599.31671:5840746 601.27484:3076934 619.28864:443022 723.49402:239401 885.53522:51801224"},{"Metabolite":"PI 38:6|PI 16:0_22:6","Alignment ID":"3891","Average Rt(min)":"9.824","Average Mz":"881.51849","Adduct type":"[M-H]-","Fill %":"0.89","MS/MS assigned":"TRUE","Reference RT":"8.1","Reference m/z":"881.51862","Formula":"C47H79O13P","Ontology":"PI","INCHIKEY":"FPHAZHKZJQOPBU-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"71","Reverse dot product":"87.3","Fragment presence %":"100","S/N average":"120949.38","Spectrum reference file name":"210226_Hamze_MM-1835_086n","MS1 isotopic spectrum":"881.51855:158189920 882.5219:172515552 883.52526:66202452","MS/MS spectrum":"117.07048:26080 121.10221:17722 133.10141:31831 134.98592:44822 135.11736:24392 143.08569:22248 147.11818:21466 149.13313:38203 152.9962:1672144 161.13391:17827 163.07732:18741 163.1489:35103 171.00681:52842 175.15038:25291 177.1636:100584 178.24457:20930 189.1646:25194 191.10689:12522 191.18066:68793 203.18114:20250 204.99048:12772 205.19547:11542 207.14062:11913 222.99957:1466062 229.19701:341000 231.1391:11035 241.01297:6372799 249.18553:94467 250.80673:11022 255.23148:6933264 259.02075:653690 259.24469:54232 279.23499:633742 281.24979:34239 283.24554:2066891 297.03705:1047337 297.224:12808 301.21964:17611 303.23355:643892 309.22281:34135 315.04868:484113 327.23096:4147733 391.22766:2560512 409.23248:198758 415.22623:233158 433.23392:19922 439.22058:18202 463.22977:231996 497.24887:30448 553.28448:2350808 571.29077:1014002 577.27509:201447 579.29077:15476 595.28833:79644 601.27454:25898 619.28839:15542 625.27173:443638 643.29578:55807 719.45715:13974 881.50262:6701436"},{"Metabolite":"PI 38:6|PI 18:2_20:4","Alignment ID":"3892","Average Rt(min)":"9.824","Average Mz":"881.51947","Adduct type":"[M-H]-","Fill %":"0.524","MS/MS assigned":"TRUE","Reference RT":"8.1","Reference m/z":"881.51862","Formula":"C47H79O13P","Ontology":"PI","INCHIKEY":"IDBHHLONPONREV-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"70.5","Reverse dot product":"86.8","Fragment presence %":"100","S/N average":"29386.46","Spectrum reference file name":"210226_Hamze_MM-1835_128n","MS1 isotopic spectrum":"881.51788:71901408 882.52123:53416072 883.52459:19216854","MS/MS spectrum":"96.96926:6793 98.21555:6001 101.47685:5379 104.58221:5340 114.62866:5849 152.99622:111551 178.26758:34014 222.9996:77730 241.01299:333954 253.21648:10022 255.23587:13314 259.02078:29338 259.24023:22283 277.21698:101794 279.22998:318722 297.03708:56010 303.23358:327585 305.25061:90095 315.04871:25267 413.20776:32902 415.22626:69515 439.22064:46614 575.25513:28030 577.27515:64995 595.28839:33266 601.2746:46650 881.50269:383226"},{"Metabolite":"PI 38:7|PI 18:2_20:5","Alignment ID":"3873","Average Rt(min)":"9.428","Average Mz":"879.50183","Adduct type":"[M-H]-","Fill %":"0.897","MS/MS assigned":"TRUE","Reference RT":"7.84","Reference m/z":"879.50293","Formula":"C47H77O13P","Ontology":"PI","INCHIKEY":"PJGBJPJEYMOHKG-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"43.5","Reverse dot product":"89.1","Fragment presence %":"100","S/N average":"42705.38","Spectrum reference file name":"210226_Hamze_MM-1835_139n","MS1 isotopic spectrum":"879.50183:14185649 880.50518:14506061 881.50854:4927232","MS/MS spectrum":"152.99622:298816 175.31726:8854 178.26758:34826 205.19548:17221 222.9996:222845 241.013:960419 257.22638:36678 259.02078:91195 259.24472:98781 277.21698:1137964 279.23502:205514 283.24557:13094 297.03708:155059 301.21967:147835 303.23361:1084360 315.04871:74221 327.23102:18264 413.20779:341573 415.22626:23023 431.2175:20382 437.21136:39156 439.23053:32562 575.26996:303336 577.27515:25825 593.26624:95448 595.28839:13265 599.26923:47266 601.27466:60940 617.27466:10937 879.51093:870806"},{"Metabolite":"PI 39:5|PI 19:1_20:4","Alignment ID":"4036","Average Rt(min)":"10.249","Average Mz":"897.54883","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"8.41","Reference m/z":"897.54993","Formula":"C48H83O13P","Ontology":"PI","INCHIKEY":"LUOXRNDGEVTYJG-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCC=CCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"70.9","Reverse dot product":"86.2","Fragment presence %":"100","S/N average":"30926.48","Spectrum reference file name":"210226_Hamze_MM-1835_144n","MS1 isotopic spectrum":"897.55023:34912888 898.55358:38535668 899.55694:13586831","MS/MS spectrum":"96.9692:12418 134.98415:9094 152.99611:275169 178.27002:72255 205.19534:15563 223.00302:216261 241.01283:917271 259.0206:84900 259.24454:90276 263.44498:9573 265.33743:8545 269.25049:170937 281.24963:26572 284.11237:9288 284.14835:8583 295.26395:1121176 297.03687:157181 303.2334:1024770 305.2504:11716 315.04849:63301 329.24844:160959 405.24396:47791 431.25565:339183 439.23022:31099 449.26276:22464 449.93832:9165 567.29437:70281 585.31:19418 593.31238:314791 601.27423:70192 611.32385:110520 619.28802:9747 627.29071:15178 780.87457:10382 897.53821:1068890"},{"Metabolite":"PI 39:6|PI 17:0_22:6","Alignment ID":"4016","Average Rt(min)":"10.072","Average Mz":"895.53418","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"8.26","Reference m/z":"895.53418","Formula":"C48H81O13P","Ontology":"PI","INCHIKEY":"ZNTPMDYOOLWCIA-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"71.3","Reverse dot product":"87.3","Fragment presence %":"100","S/N average":"8011.9","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"895.53387:7796576 896.53722:10479012 897.54058:2987400","MS/MS spectrum":"152.99615:203293 161.75717:7357 172.68289:7326 177.16356:8741 178.24707:43227 191.18062:10225 222.99953:145423 229.19695:38055 241.01291:626057 253.22937:9607 259.02069:63197 263.70233:8378 269.25058:820160 283.24548:238459 297.03696:116644 315.04858:42384 323.62552:10323 327.2309:486369 405.24411:284511 423.25333:29740 463.22964:19398 567.29456:287327 568.87921:11000 585.31018:101448 625.27155:49402 643.27808:10876 895.52094:733717"},{"Metabolite":"PI 39:7|PI 17:1_22:6","Alignment ID":"3998","Average Rt(min)":"9.685","Average Mz":"893.51862","Adduct type":"[M-H]-","Fill %":"0.566","MS/MS assigned":"TRUE","Reference RT":"8.04","Reference m/z":"893.51862","Formula":"C48H79O13P","Ontology":"PI","INCHIKEY":"PNSPILYZNULWFJ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCC=CCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"71","Reverse dot product":"78.4","Fragment presence %":"100","S/N average":"4092.57","Spectrum reference file name":"210226_Hamze_MM-1835_082n","MS1 isotopic spectrum":"893.51868:1062589 894.52203:929072 895.52539:381474","MS/MS spectrum":"91.30424:4803 92.45597:4736 104.29684:5481 134.81935:8582 152.99617:27335 200.57573:7979 216.74147:9335 223.00313:19292 241.01294:85043 267.23175:121202 283.24551:32654 297.03699:14131 327.23093:42200 403.22839:26209 565.28345:23887 583.29333:13678 893.539:74220"},{"Metabolite":"PI 40:3","Alignment ID":"4189","Average Rt(min)":"9.733","Average Mz":"915.5993","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"9.15","Reference m/z":"915.5968","Formula":"C49H89O13P","Ontology":"PI","INCHIKEY":"FPMGZGDSFLCJRN-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"84.2","RT similarity":"100","Dot product":"7.2","Reverse dot product":"76.9","Fragment presence %":"94.4","S/N average":"644.2","Spectrum reference file name":"210226_Hamze_MM-1835_069n","MS1 isotopic spectrum":"915.59784:10814566 916.60119:15646104 917.60455:6394778","MS/MS spectrum":"135.92535:7268 137.87733:7352 142.64752:7329 156.03996:8435 171.06686:23716 205.16078:182243 232.18402:13355 241.013:20466 259.16858:66246 277.18231:880523 283.26096:12119 287.97705:9187 297.04257:11068 347.22031:50704 355.00418:9455 389.23303:650817 394.2948:9257 395.24643:13149 401.23636:10830 437.25064:118488 479.26315:300534 491.26749:21523 607.3999:697553 655.41193:84150 697.43298:272408 709.43127:15291 915.59113:113414"},{"Metabolite":"PI 40:3|PI 18:0_22:3","Alignment ID":"4188","Average Rt(min)":"11.43","Average Mz":"915.59674","Adduct type":"[M-H]-","Fill %":"0.559","MS/MS assigned":"TRUE","Reference RT":"9.15","Reference m/z":"915.5968","Formula":"C49H89O13P","Ontology":"PI","INCHIKEY":"FPMGZGDSFLCJRN-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"70.5","Reverse dot product":"92.3","Fragment presence %":"100","S/N average":"2798.68","Spectrum reference file name":"210226_Hamze_MM-1835_042n","MS1 isotopic spectrum":"915.59711:52741096 916.60046:58890380 917.60382:19574416","MS/MS spectrum":"152.99628:190887 178.24466:31437 222.99969:162523 231.67592:8215 241.01309:648075 259.02087:68190 263.59222:8257 283.26617:500666 297.03717:117927 303.2337:12945 305.25073:369623 307.27057:13354 309.28134:18822 311.29422:387384 312.29913:10543 315.04883:39824 333.28174:625665 342.77591:9744 419.25269:191886 437.26062:13785 441.24396:13791 445.27191:11215 447.28629:144357 469.27231:23521 581.30225:166650 599.31671:52348 602.448:10730 603.29034:26395 609.33325:115096 627.34204:27228 631.3255:32773 649.34729:10644 741.13159:9835 915.59143:1232293"},{"Metabolite":"PI 40:4","Alignment ID":"4168","Average Rt(min)":"9.65","Average Mz":"913.58356","Adduct type":"[M-H]-","Fill %":"0.924","MS/MS assigned":"TRUE","Reference RT":"8.87","Reference m/z":"913.58118","Formula":"C49H87O13P","Ontology":"PI","INCHIKEY":"FBAQYCRLNDMSDI-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"91.9","RT similarity":"100","Dot product":"72.3","Reverse dot product":"81.4","Fragment presence %":"100","S/N average":"90.02","Spectrum reference file name":"210226_Hamze_MM-1835_074n","MS1 isotopic spectrum":"913.5838:1039694 914.58715:1369031 915.59051:593863","MS/MS spectrum":"103.32812:5567 106.03368:5282 125.78394:6577 152.99414:8330 241.01292:20108 255.23143:10873 256.47934:9535 257.15546:87959 277.18222:20058 277.21689:14455 297.03699:9798 358.64423:9141 391.2276:11558 434.99158:8777 605.37958:69161 635.39825:12114 695.40027:11502 831.49725:35447 913.57141:453610"},{"Metabolite":"PI 40:4|PI 18:0_22:4","Alignment ID":"4167","Average Rt(min)":"10.959","Average Mz":"913.58167","Adduct type":"[M-H]-","Fill %":"0.6","MS/MS assigned":"TRUE","Reference RT":"8.85","Reference m/z":"913.58118","Formula":"C49H87O13P","Ontology":"PI","INCHIKEY":"VTYLJIRGLIZEIC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"79.5","Reverse dot product":"88.2","Fragment presence %":"100","S/N average":"21066.57","Spectrum reference file name":"210226_Hamze_MM-1835_028n","MS1 isotopic spectrum":"913.58167:191473360 914.58502:171317248 915.58838:57923848","MS/MS spectrum":"96.96927:38166 134.98425:30508 152.99622:796454 171.00684:20576 178.27016:48655 222.99962:701136 233.22836:13837 241.01302:3014054 259.02081:296327 281.24985:53995 283.26608:3860480 287.27521:115843 297.03708:536363 305.25064:89951 309.28125:79619 313.25525:13838 315.04874:206786 331.26566:4021776 333.28162:57646 417.2413:17109 419.25256:1342527 437.27029:103881 445.27179:30792 467.25943:159490 579.29083:15539 581.30206:1272204 599.31653:378147 607.31952:28028 629.30341:284943 647.30878:32956 751.5293:19106 913.57172:4722788"},{"Metabolite":"PI 40:4|PI 20:0_20:4","Alignment ID":"4166","Average Rt(min)":"11.162","Average Mz":"913.57843","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"9.06","Reference m/z":"913.58118","Formula":"C49H87O13P","Ontology":"PI","INCHIKEY":"UETVUFSLJVFPBK-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"77.5","Reverse dot product":"86.3","Fragment presence %":"100","S/N average":"53350.99","Spectrum reference file name":"210226_Hamze_MM-1835_008n","MS1 isotopic spectrum":"913.58142:258849840 914.58477:299601376 915.58813:103183448","MS/MS spectrum":"152.99617:247458 157.19948:8157 205.19543:27615 222.99954:232647 241.01294:1008693 259.02072:108666 259.24466:103259 283.26599:10277 297.03699:162209 303.23352:1292405 311.29401:1378612 315.04861:71146 439.23041:41032 447.28601:427141 465.30255:31968 601.27448:85787 609.349:411750 619.28827:8824 627.35846:143359 727.10089:8826 913.57141:1351917"},{"Metabolite":"PI 40:6|PI 18:0_22:6","Alignment ID":"4140","Average Rt(min)":"10.33","Average Mz":"909.54877","Adduct type":"[M-H]-","Fill %":"0.531","MS/MS assigned":"TRUE","Reference RT":"8.45","Reference m/z":"909.54993","Formula":"C49H83O13P","Ontology":"PI","INCHIKEY":"DJVOKHFQPGWUPK-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"76.8","Reverse dot product":"87.2","Fragment presence %":"100","S/N average":"21935.94","Spectrum reference file name":"210226_Hamze_MM-1835_135n","MS1 isotopic spectrum":"909.54901:1366275456 910.55236:2029859968 911.55572:750464384","MS/MS spectrum":"117.07053:185135 119.08591:120975 121.10226:287051 133.10146:321863 134.98596:451248 135.1174:258532 137.13293:153749 147.11824:232895 149.13319:319644 152.99626:16571409 161.04616:143368 161.13397:255036 163.07515:269746 163.14897:523909 171.00687:433574 175.15044:218435 177.16368:794199 189.16467:258780 191.18074:639091 203.18123:295994 222.99968:12981888 229.1971:3420726 241.01308:60984716 249.18562:1006047 255.2097:185940 259.02087:6230406 283.26614:69180720 297.03717:10213380 297.21863:185258 309.22293:329318 315.0488:4607630 327.23111:41808876 419.25266:24171416 437.27039:2189497 463.22998:2306419 525.2876:286978 581.30219:24369336 599.31665:10253469 625.27197:4621144 643.29602:631797 747.49792:197911 909.55316:65196300"},{"Metabolite":"PI 40:6|PI 18:1_22:5","Alignment ID":"4139","Average Rt(min)":"10.068","Average Mz":"909.5481","Adduct type":"[M-H]-","Fill %":"0.786","MS/MS assigned":"TRUE","Reference RT":"8.32","Reference m/z":"909.54993","Formula":"C49H83O13P","Ontology":"PI","INCHIKEY":"CVDYOYNJWLXMAW-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"74.6","Reverse dot product":"88.3","Fragment presence %":"100","S/N average":"910.34","Spectrum reference file name":"210226_Hamze_MM-1835_113n","MS1 isotopic spectrum":"909.54803:15063862 910.55138:12301175 911.55474:4776208","MS/MS spectrum":"96.96928:9931 145.88263:7721 151.95113:7468 152.99623:190864 171.00684:14647 222.99963:122552 241.01303:537286 259.02081:58638 259.21338:8630 279.23505:25114 281.24988:668542 285.25751:40801 297.03711:101615 303.23364:12646 305.24493:16902 315.04874:34461 324.00732:9332 329.24872:570974 331.26569:17154 417.24133:220004 435.24515:13368 465.2381:22932 502.80731:9736 579.29089:200742 597.30524:51135 599.31653:18371 627.29126:39289 645.29767:10590 909.55298:728040"},{"Metabolite":"PI 40:7|PI 20:3_20:4","Alignment ID":"4126","Average Rt(min)":"9.889","Average Mz":"907.53424","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"8.21","Reference m/z":"907.53418","Formula":"C49H81O13P","Ontology":"PI","INCHIKEY":"VJWOETAUZWGFAX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"71.6","Reverse dot product":"83.4","Fragment presence %":"100","S/N average":"3435.59","Spectrum reference file name":"210226_Hamze_MM-1835_069n","MS1 isotopic spectrum":"907.53448:45904916 908.53783:55823948 909.54119:18672290","MS/MS spectrum":"96.97029:6752 118.14685:7267 142.36076:7554 152.99622:187495 165.51701:7364 186.60966:8343 203.93892:8264 205.1955:12341 222.99962:138133 241.013:604958 259.02081:48228 259.24475:57210 279.23502:18152 281.24985:15571 297.03708:76902 301.2197:11742 303.23361:777321 305.25061:831276 315.04871:52076 329.24869:11610 439.22067:33413 441.24384:194789 459.24155:10774 483.8812:9089 601.27466:68427 603.29016:208801 619.28845:13177 621.29553:70258 907.52411:603602"},{"Metabolite":"PI 40:8|PI 20:4_20:4","Alignment ID":"4105","Average Rt(min)":"9.601","Average Mz":"905.51575","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"8.09","Reference m/z":"905.51862","Formula":"C49H79O13P","Ontology":"PI","INCHIKEY":"YBEMGRPVONAHOT-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"66.5","Reverse dot product":"83.4","Fragment presence %":"100","S/N average":"1587.69","Spectrum reference file name":"210226_Hamze_MM-1835_115n","MS1 isotopic spectrum":"905.51898:4314834 906.52233:4825206 907.52569:1679460","MS/MS spectrum":"91.17046:5064 92.38158:4440 94.81092:4881 113.11786:6135 152.10609:6898 152.99622:34667 183.85158:8764 222.99962:23127 241.013:107361 279.23001:30880 283.26605:12075 297.03708:12209 303.23361:201952 327.23737:10738 439.22064:24810 538.41602:9664 601.27466:33625 619.28845:11841 829.92938:9664 905.53131:106870"},{"Metabolite":"PI 40:9|PI 20:4_20:5","Alignment ID":"4085","Average Rt(min)":"9.35","Average Mz":"903.49994","Adduct type":"[M-H]-","Fill %":"0.545","MS/MS assigned":"TRUE","Reference RT":"7.92","Reference m/z":"903.50293","Formula":"C49H77O13P","Ontology":"PI","INCHIKEY":"XGDPACFJALNYGZ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"88.2","RT similarity":"100","Dot product":"18.9","Reverse dot product":"15.2","Fragment presence %":"100","S/N average":"2437.52","Spectrum reference file name":"210226_Hamze_MM-1835_128n","MS1 isotopic spectrum":"903.50336:1046209 904.50671:902670 905.51007:342620","MS/MS spectrum":"96.27177:5891 110.17705:5244 112.98492:7134 130.59181:6777 152.99622:36670 167.10825:7736 221.15544:14084 222.9996:26150 241.01299:134038 242.01643:9845 257.22638:10049 259.02078:14500 277.21698:18500 283.26605:68710 286.58636:9160 297.03708:24601 301.21967:43167 303.23358:78573 319.22659:17363 321.24475:62824 346.03543:9573 419.25253:32329 437.20154:11801 581.302:9525 903.54504:204747"},{"Metabolite":"PI 41:4|PI 19:0_22:4","Alignment ID":"4290","Average Rt(min)":"11.255","Average Mz":"927.59753","Adduct type":"[M-H]-","Fill %":"0.669","MS/MS assigned":"TRUE","Reference RT":"9.3","Reference m/z":"927.5968","Formula":"C50H89O13P","Ontology":"PI","INCHIKEY":"KNRFVRVLUUUSDX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"75.3","Reverse dot product":"87.2","Fragment presence %":"100","S/N average":"209.97","Spectrum reference file name":"210226_Hamze_MM-1835_072n","MS1 isotopic spectrum":"927.59753:8751327 928.60088:11054704 929.60424:5449174","MS/MS spectrum":"148.69414:8171 152.9962:136980 171.00681:9009 178.24713:44612 189.27638:7403 208.57243:8561 222.9996:122783 233.22833:10377 241.01299:543607 259.02078:40344 287.27521:21380 297.03705:88492 297.27905:715895 315.04871:32005 331.26562:717780 433.27267:241546 451.28403:19489 467.25937:22794 470.0152:9941 521.84021:10002 523.49524:10253 595.31952:210882 613.34161:56257 629.30334:50318 647.30872:10756 894.3714:9478 927.60651:753614"},{"Metabolite":"PI 41:5|PI 19:0_22:5","Alignment ID":"4276","Average Rt(min)":"10.844","Average Mz":"925.57892","Adduct type":"[M-H]-","Fill %":"0.607","MS/MS assigned":"TRUE","Reference RT":"8.8","Reference m/z":"925.58118","Formula":"C50H87O13P","Ontology":"PI","INCHIKEY":"ASTGFDZRGSHJRB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"74","Reverse dot product":"86.5","Fragment presence %":"100","S/N average":"96.43","Spectrum reference file name":"210226_Hamze_MM-1835_124n","MS1 isotopic spectrum":"925.58246:2488518 926.58581:3200665 927.58917:1693028","MS/MS spectrum":"126.9568:7698 152.99609:59825 159.86539:6881 160.20448:6817 168.424:7265 178.27:28908 187.11964:7546 223.00301:43903 241.01282:176711 259.0206:19928 283.26584:10402 285.25726:14057 297.03683:30863 297.27884:218941 303.23337:23303 315.04846:15668 323.29434:26680 329.24841:167408 433.27234:69229 595.31909:63683 613.32483:18412 627.29071:15786 908.4928:9945 925.57678:236329"},{"Metabolite":"PI 41:6","Alignment ID":"4264","Average Rt(min)":"10.341","Average Mz":"923.5658","Adduct type":"[M-H]-","Fill %":"0.503","MS/MS assigned":"TRUE","Reference RT":"8.53","Reference m/z":"923.56549","Formula":"C50H85O13P","Ontology":"PI","INCHIKEY":"XTBUKITWMMDUOE-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCC=CCC=CCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"84.6","RT similarity":"100","Dot product":"38.2","Reverse dot product":"62.3","Fragment presence %":"94.4","S/N average":"615.99","Spectrum reference file name":"210226_Hamze_MM-1835_084n","MS1 isotopic spectrum":"923.56555:1330111 924.5689:2211093 925.57226:556193","MS/MS spectrum":"108.63143:5147 108.92133:4902 122.82018:6479 125.376:6328 150.84702:6343 152.99619:16313 167.08504:7616 178.27267:21103 199.54276:8490 241.01295:34870 273.30908:8524 283.24042:10169 303.23355:28962 321.24472:21478 327.23096:19753 328.23108:15597 336.43954:10347 554.34778:10705 619.28833:11877 923.55499:19051"},{"Metabolite":"PI 42:10|PI 20:4_22:6","Alignment ID":"4305","Average Rt(min)":"9.515","Average Mz":"929.51581","Adduct type":"[M-H]-","Fill %":"0.607","MS/MS assigned":"TRUE","Reference RT":"8","Reference m/z":"929.51862","Formula":"C51H79O13P","Ontology":"PI","INCHIKEY":"VZIPCTFHUDIUFV-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"60.6","Reverse dot product":"81.7","Fragment presence %":"100","S/N average":"3260.13","Spectrum reference file name":"210226_Hamze_MM-1835_056n","MS1 isotopic spectrum":"929.51581:3023201 930.51916:4296312 931.52252:1260402","MS/MS spectrum":"108.16978:5243 112.65428:5668 113.55705:5263 117.66301:6331 143.95895:6958 144.58224:6999 152.99422:140341 171.00446:9927 178.26762:42263 205.19553:9574 222.99965:58618 227.03307:35406 227.43027:7737 229.19708:10511 241.01305:295449 258.59616:8657 259.02084:36053 259.2403:43742 261.71832:8433 267.0256:32986 279.23505:40867 283.24051:76426 297.03714:50362 303.23367:407661 315.04877:20117 327.23108:229366 439.22073:16071 463.22992:74179 601.27472:21614 603.94305:9693 619.28857:14602 625.27191:61725 643.29596:21355 728.59808:10625 929.52069:204819"},{"Metabolite":"PI 42:5|PI 18:0_24:5","Alignment ID":"4394","Average Rt(min)":"11.18","Average Mz":"939.59277","Adduct type":"[M-H]-","Fill %":"0.724","MS/MS assigned":"TRUE","Reference RT":"8.99","Reference m/z":"939.5968","Formula":"C51H89O13P","Ontology":"PI","INCHIKEY":"YIQKCGCLDZWPPQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"70.6","Reverse dot product":"89.9","Fragment presence %":"100","S/N average":"8237.2","Spectrum reference file name":"210226_Hamze_MM-1835_042n","MS1 isotopic spectrum":"939.59583:16256578 940.59918:15323427 941.60254:5739074","MS/MS spectrum":"96.9693:15227 134.98598:10435 148.91833:22787 152.99628:296900 178.26765:29757 222.99969:231620 241.01309:1070636 259.02087:106536 259.24036:45251 279.23511:13887 283.26617:1010112 297.03717:176278 303.2337:287688 309.28134:10346 311.29422:125996 313.29108:93758 315.04883:93249 329.24881:76125 337.30939:338316 357.2774:972970 394.05127:10076 419.25269:314344 437.26062:25488 447.28629:32895 473.30383:91956 491.31439:9813 493.27295:26242 498.47763:10346 581.30225:315481 586.51355:9936 599.31671:98633 601.27484:14887 609.33325:22556 635.34711:105027 653.36322:26877 655.32208:73491 673.33673:14331 939.58203:1452194"},{"Metabolite":"PI 42:5|PI 20:0_22:5","Alignment ID":"4395","Average Rt(min)":"11.464","Average Mz":"939.59503","Adduct type":"[M-H]-","Fill %":"0.524","MS/MS assigned":"TRUE","Reference RT":"9.11","Reference m/z":"939.5968","Formula":"C51H89O13P","Ontology":"PI","INCHIKEY":"CPDSVQRDKSRUCA-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"73.3","Reverse dot product":"80.1","Fragment presence %":"100","S/N average":"74.75","Spectrum reference file name":"210226_Hamze_MM-1835_079n","MS1 isotopic spectrum":"939.59558:2400991 940.59893:2750744 941.60229:2171329","MS/MS spectrum":"93.2069:4353 94.84158:4591 98.97123:4412 101.71868:5624 129.64195:6685 134.71849:8176 148.89087:11945 148.92989:10582 149.90056:8551 152.99611:35296 223.00304:31154 231.21068:9100 241.01283:160414 259.0206:23822 276.38611:9484 285.25729:42248 297.03687:24178 311.29388:193600 315.04849:14969 323.2507:9180 329.24844:158439 447.28583:55366 609.34875:68501 627.35822:17094 939.61194:180384"},{"Metabolite":"PI 42:6|PI 18:0_24:6","Alignment ID":"4377","Average Rt(min)":"10.766","Average Mz":"937.58105","Adduct type":"[M-H]-","Fill %":"0.931","MS/MS assigned":"TRUE","Reference RT":"8.47","Reference m/z":"937.58118","Formula":"C51H87O13P","Ontology":"PI","INCHIKEY":"KBROQVLPDFKGOL-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"75.6","Reverse dot product":"87.3","Fragment presence %":"100","S/N average":"987.44","Spectrum reference file name":"210226_Hamze_MM-1835_083n","MS1 isotopic spectrum":"937.58167:2130370 938.58502:2310548 939.58838:0","MS/MS spectrum":"94.96373:4827 103.61291:6158 106.79153:5784 115.98059:5491 147.90686:6873 152.88652:7669 152.99619:37950 155.66389:8681 178.24455:21554 180.45979:7838 222.99957:31031 241.01295:138743 259.02521:14386 260.16138:8237 283.26599:169752 297.03702:21856 309.28116:13510 311.27637:18209 315.04865:10953 329.24863:12855 355.26279:120056 419.25247:61175 481.71698:9264 581.31696:54733 599.33215:15445 653.30902:11202 937.57477:199871"},{"Metabolite":"PI 42:6|PI 20:0_22:6","Alignment ID":"4378","Average Rt(min)":"11.021","Average Mz":"937.58105","Adduct type":"[M-H]-","Fill %":"0.607","MS/MS assigned":"TRUE","Reference RT":"8.8","Reference m/z":"937.58118","Formula":"C51H87O13P","Ontology":"PI","INCHIKEY":"SQRMMAQFAYUJEU-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"73.6","Reverse dot product":"83.2","Fragment presence %":"100","S/N average":"75.74","Spectrum reference file name":"210226_Hamze_MM-1835_095n","MS1 isotopic spectrum":"937.58148:3798434 938.58483:5168956 939.58819:3538086","MS/MS spectrum":"93.74158:4884 109.31908:5165 116.6838:6404 140.27744:7437 143.2733:6464 152.99615:34741 153.10187:7357 173.73289:7184 222.99953:21441 241.01291:137830 259.02069:10879 283.24548:50546 297.03696:15840 311.29401:189673 327.2309:92455 447.28598:56469 609.34894:58078 625.28839:12882 627.35846:27496 937.57458:140568"},{"Metabolite":"PI 42:9|PI 20:3_22:6","Alignment ID":"4322","Average Rt(min)":"9.663","Average Mz":"931.53345","Adduct type":"[M-H]-","Fill %":"0.828","MS/MS assigned":"TRUE","Reference RT":"8.15","Reference m/z":"931.53418","Formula":"C51H81O13P","Ontology":"PI","INCHIKEY":"WXGNZHYEXDZCMO-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3438","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"56","Reverse dot product":"78","Fragment presence %":"100","S/N average":"171.92","Spectrum reference file name":"210226_Hamze_MM-1835_139n","MS1 isotopic spectrum":"931.53387:859542 932.53722:742657 933.54058:240580","MS/MS spectrum":"100.23172:4989 100.88349:5903 103.54501:4796 120.96069:7667 139.99605:7220 152.99622:25102 172.90245:7372 199.1107:7961 218.56532:8551 223.00317:12963 232.01697:8466 234.87767:9598 241.013:83872 259.02527:13138 259.24023:9917 268.13937:8196 271.72482:8649 283.24045:13843 303.23361:29084 305.25061:47193 327.23102:21211 329.24869:25689 603.30603:11319 625.28857:12390 627.29114:9483 803.1286:11524 931.53198:57532"},{"Metabolite":"PI O-36:4|PI O-16:0_20:4","Alignment ID":"3565","Average Rt(min)":"10.22","Average Mz":"843.53833","Adduct type":"[M-H]-","Fill %":"0.641","MS/MS assigned":"TRUE","Reference RT":"8.37","Reference m/z":"843.53931","Formula":"C45H81O12P","Ontology":"EtherPI","INCHIKEY":"WYUJHUHIPXIISK-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"87","Reverse dot product":"90.9","Fragment presence %":"100","S/N average":"372.61","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"843.5401:2647894 844.54345:2826959 845.54681:2193438","MS/MS spectrum":"108.83714:5688 115.438:5759 120.84503:6683 128.76527:6980 150.02286:7028 161.59163:8015 223.0031:15881 241.01291:153138 259.24014:21269 283.26596:10355 284.26675:11730 303.23349:323776 327.0657:7618 355.11899:9351 377.24829:252762 539.30225:68775 557.30231:26785 843.54559:359280"},{"Metabolite":"PI O-38:3|PI O-18:0_20:3","Alignment ID":"3823","Average Rt(min)":"10.96","Average Mz":"873.57715","Adduct type":"[M-H]-","Fill %":"0.793","MS/MS assigned":"TRUE","Reference RT":"9.11","Reference m/z":"873.58618","Formula":"C47H87O12P","Ontology":"EtherPI","INCHIKEY":"GIWCANCYTWRAAM-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"98.3","RT similarity":"100","Dot product":"53.2","Reverse dot product":"85.9","Fragment presence %":"100","S/N average":"971.32","Spectrum reference file name":"210226_Hamze_MM-1835_096n","MS1 isotopic spectrum":"873.578:17000502 874.58135:22055548 875.58471:7108452","MS/MS spectrum":"94.97466:5830 107.22414:5843 111.94636:5805 145.21327:7344 147.76788:7419 152.99414:42327 153.56465:6899 222.99954:45697 241.01294:237480 242.01637:20913 259.02072:11772 259.24017:13724 269.24585:96529 279.23492:12651 281.97025:8309 283.26086:106004 291.2312:155821 297.03699:27733 303.23352:142513 304.23383:94828 305.24481:158320 405.27917:43379 406.27969:72624 407.28391:31524 419.25244:33349 469.01016:10985 567.29462:32240 568.34058:11727 569.33112:18579 581.31696:45491 873.57581:357599"},{"Metabolite":"PI O-38:5|PI O-18:1_20:4","Alignment ID":"3792","Average Rt(min)":"10.282","Average Mz":"869.55432","Adduct type":"[M-H]-","Fill %":"0.51","MS/MS assigned":"TRUE","Reference RT":"8.49","Reference m/z":"869.55487","Formula":"C47H83O12P","Ontology":"EtherPI","INCHIKEY":"VKRDRDRLFSZIGY-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCC=CCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"86.5","Reverse dot product":"90.5","Fragment presence %":"100","S/N average":"2196.35","Spectrum reference file name":"210226_Hamze_MM-1835_069n","MS1 isotopic spectrum":"869.55518:12648849 870.55853:16620718 871.56189:6908730","MS/MS spectrum":"178.2446:48214 205.1955:35402 222.99962:87285 241.013:639917 259.02081:16825 259.24475:141603 283.11255:12532 303.23361:1571478 323.61316:10150 329.24869:49746 330.51599:11558 377.2406:26379 403.26328:1262747 405.41074:9066 415.38986:8884 421.26913:58370 539.30243:18330 565.3125:392597 583.32379:169685 869.5426:1674588"},{"Metabolite":"PI O-39:8","Alignment ID":"3858","Average Rt(min)":"9.805","Average Mz":"877.52094","Adduct type":"[M-H]-","Fill %":"0.71","MS/MS assigned":"TRUE","Reference RT":"8.03","Reference m/z":"877.52362","Formula":"C48H79O12P","Ontology":"EtherPI","INCHIKEY":"UOGSPZJHGULDEP-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"86.2","RT similarity":"100","Dot product":"14.4","Reverse dot product":"80.5","Fragment presence %":"100","S/N average":"2362.94","Spectrum reference file name":"210226_Hamze_MM-1835_014n","MS1 isotopic spectrum":"877.5213:2191030 878.52465:2253553 879.52801:925414","MS/MS spectrum":"103.33944:5098 106.84608:5437 109.26146:5297 114.52859:5820 114.54833:6234 114.7368:5834 120.42115:6935 123.57189:6238 136.31413:9350 152.99622:16376 158.88046:8783 237.62634:9439 241.01302:30354 259.24475:19177 279.23001:36130 281.24985:408267 299.25912:38712 303.23361:372226 305.2449:13164 372.3714:8096 716.00946:11383 795.50989:25733 877.526:46303"},{"Metabolite":"PI O-39:9","Alignment ID":"3839","Average Rt(min)":"9.53","Average Mz":"875.50433","Adduct type":"[M-H]-","Fill %":"0.869","MS/MS assigned":"TRUE","Reference RT":"7.93","Reference m/z":"875.508","Formula":"C48H77O12P","Ontology":"EtherPI","INCHIKEY":"GDGIPOXBFKJREJ-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"89.2","RT similarity":"100","Dot product":"39.6","Reverse dot product":"79.6","Fragment presence %":"100","S/N average":"6024.55","Spectrum reference file name":"210226_Hamze_MM-1835_122n","MS1 isotopic spectrum":"875.50641:526707 876.50976:565273 877.51312:127894","MS/MS spectrum":"92.89368:4556 122.43227:5876 124.68393:7594 133.37047:6449 152.99609:13565 159.66591:7607 161.36244:7516 191.19189:7514 216.02367:9195 241.0128:39764 279.2348:31311 281.2496:42647 289.26135:7627 295.2258:90376 303.23337:15972 339.07181:8722 417.24094:10575 425.76996:9533 579.29034:10140 597.30469:13466 875.51917:52437"},{"Metabolite":"PI O-40:5|PI O-18:0_22:5","Alignment ID":"4037","Average Rt(min)":"10.923","Average Mz":"897.58441","Adduct type":"[M-H]-","Fill %":"0.607","MS/MS assigned":"TRUE","Reference RT":"8.94","Reference m/z":"897.58618","Formula":"C49H87O12P","Ontology":"EtherPI","INCHIKEY":"YENIPJIBADSGOP-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"71.5","Reverse dot product":"83","Fragment presence %":"100","S/N average":"74.25","Spectrum reference file name":"210226_Hamze_MM-1835_121n","MS1 isotopic spectrum":"897.58331:1434581 898.58666:1509846 899.59002:933625","MS/MS spectrum":"96.79514:5003 98.88461:4317 115.68739:5788 142.85069:6297 162.16211:7100 178.24191:11636 199.28566:9926 214.72394:9222 241.01283:12161 329.24847:26514 405.27902:35753 861.58563:10090 897.59601:42845"},{"Metabolite":"PI O-40:6|PI O-18:1_22:5","Alignment ID":"4017","Average Rt(min)":"10.318","Average Mz":"895.57098","Adduct type":"[M-H]-","Fill %":"0.634","MS/MS assigned":"TRUE","Reference RT":"8.59","Reference m/z":"895.57062","Formula":"C49H85O12P","Ontology":"EtherPI","INCHIKEY":"MMIJVISGGKKHBW-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCC=CCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"87.4","Reverse dot product":"92.5","Fragment presence %":"100","S/N average":"88.43","Spectrum reference file name":"210226_Hamze_MM-1835_128n","MS1 isotopic spectrum":"895.57098:2689293 896.57433:3242766 897.57769:1168668","MS/MS spectrum":"107.87923:6251 132.34296:6079 135.75366:6779 171.93739:7423 174.2603:9760 186.81509:8566 222.9996:14061 229.31256:8028 241.00897:113964 285.25748:16459 329.24866:253169 403.26324:238318 421.2691:25314 563.12524:10421 565.31244:76163 583.32373:34606 895.5788:341402"},{"Metabolite":"PI O-40:7|PI O-18:1_22:6","Alignment ID":"4000","Average Rt(min)":"10.165","Average Mz":"893.55249","Adduct type":"[M-H]-","Fill %":"0.759","MS/MS assigned":"TRUE","Reference RT":"8.46","Reference m/z":"893.55487","Formula":"C49H83O12P","Ontology":"EtherPI","INCHIKEY":"MKTORWZKAIZJHH-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCC=CCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"73.3","Reverse dot product":"91.3","Fragment presence %":"100","S/N average":"1868.55","Spectrum reference file name":"210226_Hamze_MM-1835_054n","MS1 isotopic spectrum":"893.55481:1267600 894.55816:1462517 895.56152:501977","MS/MS spectrum":"97.28788:4426 102.19295:4815 103.98764:5288 148.90463:17949 148.91634:28025 165.37306:8207 178.24715:15996 223.00319:11806 241.013:61201 281.24985:19976 283.24048:29294 288.6235:10335 320.15335:9144 327.23102:62112 328.18008:8914 346.43665:9527 403.26328:89174 466.31735:10234 565.3125:29424 583.32379:13039 893.56793:102464"},{"Metabolite":"PI O-41:10|PI O-21:5_20:5","Alignment ID":"4064","Average Rt(min)":"9.732","Average Mz":"901.52167","Adduct type":"[M-H]-","Fill %":"0.924","MS/MS assigned":"TRUE","Reference RT":"7.99","Reference m/z":"901.52362","Formula":"C50H79O12P","Ontology":"EtherPI","INCHIKEY":"GEAULQAUMXKBGJ-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"58.1","Reverse dot product":"89.5","Fragment presence %":"100","S/N average":"44155.41","Spectrum reference file name":"210226_Hamze_MM-1835_012n","MS1 isotopic spectrum":"901.5213:9430318 902.52465:11639938 903.52801:2625637","MS/MS spectrum":"115.03957:73662 128.99153:6430 152.99622:58115 161.9695:7883 178.27271:24964 203.18117:30193 205.19865:9299 222.99962:40340 241.013:284956 257.22638:63934 259.02081:29081 277.61389:7899 279.23502:22268 281.24985:60938 283.26605:226718 297.03708:37116 301.2197:120592 303.23361:55874 305.25061:46580 315.04871:42791 319.22662:167060 327.23102:32397 329.24869:15430 419.26178:83496 437.27029:10118 443.14075:9757 455.22107:16483 581.31708:100697 599.31653:78890 617.27466:13746 901.53632:525303"},{"Metabolite":"PI O-41:11|PI O-19:5_22:6","Alignment ID":"4048","Average Rt(min)":"9.451","Average Mz":"899.50464","Adduct type":"[M-H]-","Fill %":"0.89","MS/MS assigned":"TRUE","Reference RT":"7.93","Reference m/z":"899.508","Formula":"C50H77O12P","Ontology":"EtherPI","INCHIKEY":"NUQJBMDRIDHHLW-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"85.8","RT similarity":"100","Dot product":"15.5","Reverse dot product":"12.2","Fragment presence %":"100","S/N average":"7382.15","Spectrum reference file name":"210226_Hamze_MM-1835_030n","MS1 isotopic spectrum":"899.50433:2649856 900.50768:3419778 901.51104:1131897","MS/MS spectrum":"96.78705:5050 126.4806:7517 138.55954:7085 152.99625:20982 162.46866:6937 164.66298:9225 171.00446:16095 241.00902:27097 253.22086:10955 255.23155:9777 273.22186:9687 279.23505:153623 280.24478:8587 283.24051:30366 298.88708:12209 317.20926:13175 327.23108:65071 409.2326:9347 483.40164:10135 757.64972:10475 899.53442:44236"},{"Metabolite":"PI O-43:11","Alignment ID":"4287","Average Rt(min)":"9.89","Average Mz":"927.5365","Adduct type":"[M-H]-","Fill %":"0.952","MS/MS assigned":"TRUE","Reference RT":"8.11","Reference m/z":"927.53931","Formula":"C52H81O12P","Ontology":"EtherPI","INCHIKEY":"ZIBORIONFSGVNY-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"86","RT similarity":"100","Dot product":"14","Reverse dot product":"77.7","Fragment presence %":"100","S/N average":"2325.02","Spectrum reference file name":"210226_Hamze_MM-1835_130n","MS1 isotopic spectrum":"927.53729:3014714 928.54064:2714078 929.544:1380120","MS/MS spectrum":"92.9332:4216 93.61216:5144 97.66713:4653 120.14073:5952 121.62334:6594 125.37453:6686 152.99422:50987 171.00687:98250 178.24463:21312 241.01305:9603 255.23157:10864 257.15558:16951 279.23508:36314 281.24988:63730 283.26611:34813 305.25067:11437 307.25897:17672 327.23108:10483 329.24875:16709 417.24136:18749 419.26184:14485 669.37732:11434 927.54608:15236"},{"Metabolite":"PS 34:2|PS 16:0_18:2","Alignment ID":"2839","Average Rt(min)":"10.017","Average Mz":"758.49689","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"8.15","Reference m/z":"758.4978","Formula":"C40H74NO10P","Ontology":"PS","INCHIKEY":"ZGNVQERQNSXHHO-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"75.3","Reverse dot product":"68.4","Fragment presence %":"100","S/N average":"645.01","Spectrum reference file name":"210226_Hamze_MM-1835_076n","MS1 isotopic spectrum":"758.49713:13982655 759.50048:12572945 760.50384:3761326","MS/MS spectrum":"96.96921:21969 134.98586:14487 152.99612:1047777 171.00673:21557 175.97701:8346 178.24704:37244 217.76942:9019 253.21634:18985 255.23135:3000799 257.23065:15281 277.21683:50061 279.23486:1125142 280.2345:13183 281.24966:62042 295.22586:18864 301.21951:42959 391.22751:1091134 409.23227:584846 415.22604:161199 417.24103:25121 433.2337:41515 435.24484:10944 562.82373:9395 671.46423:313930 758.50073:9734"},{"Metabolite":"PS 34:3|PS 16:0_18:3","Alignment ID":"2820","Average Rt(min)":"9.786","Average Mz":"756.4823","Adduct type":"[M-H]-","Fill %":"0.903","MS/MS assigned":"TRUE","Reference RT":"8.01","Reference m/z":"756.48212","Formula":"C40H72NO10P","Ontology":"PS","INCHIKEY":"GRXQVLCZJYBDDD-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"56.9","Reverse dot product":"57.1","Fragment presence %":"100","S/N average":"40.42","Spectrum reference file name":"210226_Hamze_MM-1835_033n","MS1 isotopic spectrum":"756.48193:472107 757.48528:377298 758.48864:64593","MS/MS spectrum":"104.96338:4718 140.558:7098 152.99625:38084 159.93285:6763 178.24719:38094 221.14137:8732 223.93579:10622 255.23157:122114 277.21704:40501 279.23007:13989 293.21045:13165 303.23367:9091 359.84338:9057 391.22781:43428 409.2326:21736 633.25446:9640 669.45172:14088"},{"Metabolite":"PS 36:3|PS 18:1_18:2","Alignment ID":"3073","Average Rt(min)":"10.178","Average Mz":"784.51239","Adduct type":"[M-H]-","Fill %":"0.745","MS/MS assigned":"TRUE","Reference RT":"8.11","Reference m/z":"784.51343","Formula":"C42H76NO10P","Ontology":"PS","INCHIKEY":"MWONMGIZXLAUBR-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"52.6","Reverse dot product":"66.5","Fragment presence %":"100","S/N average":"606.49","Spectrum reference file name":"210226_Hamze_MM-1835_011n","MS1 isotopic spectrum":"784.51233:7386044 785.51568:6799028 786.51904:1901230","MS/MS spectrum":"108.71293:6061 118.53662:6157 122.20721:6765 126.44086:6351 133.02394:6261 137.82343:6914 143.41153:7322 152.99619:202694 212.31216:8573 255.23148:145389 255.50751:10501 256.237:92125 257.23962:33357 279.23495:152249 281.24979:407068 290.93265:10271 295.23141:9280 303.23355:22724 304.23956:18775 305.24484:24431 321.24472:21175 391.22766:23464 392.22659:27847 409.23245:11275 410.23871:19450 415.2262:23332 417.24121:117151 433.23389:12383 435.25479:56414 697.49219:42421"},{"Metabolite":"PS 37:2|PS 19:0_18:2","Alignment ID":"3214","Average Rt(min)":"10.774","Average Mz":"800.5451","Adduct type":"[M-H]-","Fill %":"0.621","MS/MS assigned":"TRUE","Reference RT":"8.77","Reference m/z":"800.54468","Formula":"C43H80NO10P","Ontology":"PS","INCHIKEY":"FBKHRKBIWQLCSR-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"33.2","Reverse dot product":"86.3","Fragment presence %":"100","S/N average":"10842.01","Spectrum reference file name":"210226_Hamze_MM-1835_029n","MS1 isotopic spectrum":"800.5437:6968212 801.54705:7759332 802.55041:43514424","MS/MS spectrum":"90.6734:4387 120.73961:6121 152.99623:47115 166.28102:7476 178.24461:52307 178.57468:7553 223.95016:8284 243.16862:8260 250.18106:8362 251.20389:8268 255.23154:16108 269.2507:12554 277.21701:34196 279.23505:136960 280.23471:68452 281.24985:62017 283.26608:15291 295.26419:23653 297.27911:56065 301.84937:10099 303.23364:8866 305.25064:41831 306.24945:45407 307.26471:26593 308.26761:21520 309.28128:54108 310.28232:33926 415.22632:11467 429.63553:11115 433.27274:26527 451.28409:13602 713.50647:15552 726.61719:11343 800.56891:19330"},{"Metabolite":"PS 38:2|PS 18:0_20:2","Alignment ID":"3328","Average Rt(min)":"10.759","Average Mz":"814.55896","Adduct type":"[M-H]-","Fill %":"0.71","MS/MS assigned":"TRUE","Reference RT":"8.96","Reference m/z":"814.56042","Formula":"C44H82NO10P","Ontology":"PS","INCHIKEY":"VQBUNNLIFOLWSM-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"25.5","Reverse dot product":"67.1","Fragment presence %":"100","S/N average":"9929.16","Spectrum reference file name":"210226_Hamze_MM-1835_037n","MS1 isotopic spectrum":"814.56024:85289008 815.56359:87049616 816.56695:23381650","MS/MS spectrum":"96.96929:24364 134.98428:15267 140.01031:25798 152.99625:797327 153.99881:127312 154.99883:70504 168.04228:14562 171.00687:18978 178.27274:19714 196.03668:26538 253.21655:25544 255.23157:105247 267.23187:48790 277.21704:231463 279.23508:230488 281.24991:14107 283.26611:1233459 284.26694:1331654 285.27307:495139 304.5647:9949 305.2507:576251 306.24948:636519 307.2532:291571 327.23108:76619 328.23761:79861 329.23593:42523 386.77136:8652 419.25266:248235 420.25912:418061 421.25992:269141 437.27039:132221 438.2735:224606 439.27017:149469 441.24393:25636 442.24078:47970 443.25104:42481 460.25772:17535 461.25592:21278 480.31265:12098 503.29193:15924 504.29965:9494 726.51215:28463 727.52246:180669 740.52533:12561"},{"Metabolite":"PS 38:4|PS 16:0_22:4","Alignment ID":"3301","Average Rt(min)":"10.531","Average Mz":"810.52844","Adduct type":"[M-H]-","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"8.48","Reference m/z":"810.52911","Formula":"C44H78NO10P","Ontology":"PS","INCHIKEY":"BAGQGBPETWVHAA-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"35.4","Reverse dot product":"62.8","Fragment presence %":"100","S/N average":"74503.56","Spectrum reference file name":"210226_Hamze_MM-1835_141n","MS1 isotopic spectrum":"810.52789:1386949120 811.53124:1210930176 812.5346:351585408","MS/MS spectrum":"92.69793:4944 96.96924:5269 120.8907:6055 129.99776:6292 135.96446:6617 152.99617:309848 167.19872:7432 178.27521:10196 255.23145:329438 279.23492:10551 281.24976:398240 283.26599:79383 303.23352:45052 304.23383:9399 305.25052:132451 319.22653:17496 331.26556:124553 391.22763:104190 409.23242:53306 417.24115:113495 419.26166:16637 435.25473:50652 467.25928:10854 723.49359:42652"},{"Metabolite":"PS 38:7","Alignment ID":"3249","Average Rt(min)":"9.977","Average Mz":"804.47693","Adduct type":"[M-H]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"7.87","Reference m/z":"804.48212","Formula":"C44H72NO10P","Ontology":"PS","INCHIKEY":"MHFDYTHGRNVFBR-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"89","RT similarity":"100","Dot product":"27.8","Reverse dot product":"69.5","Fragment presence %":"100","S/N average":"12763.23","Spectrum reference file name":"210226_Hamze_MM-1835_017n","MS1 isotopic spectrum":"804.47992:4191162 805.48327:4101037 806.48663:8931348","MS/MS spectrum":"152.99625:196598 174.97635:13520 178.24463:12916 187.97194:13931 188.34328:8499 192.98718:17149 205.98363:42392 255.23157:316793 262.00952:68545 280.01828:33955 281.24988:13827 303.23367:115169 391.22781:169764 431.21759:50627 439.22073:18737 479.21817:17238 518.24957:217285 526.33612:10942 566.25183:61624 717.45178:34266 751.77283:10178 804.47455:99233"},{"Metabolite":"PS 38:8","Alignment ID":"3227","Average Rt(min)":"9.681","Average Mz":"802.46399","Adduct type":"[M-H]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"7.57","Reference m/z":"802.46649","Formula":"C44H70NO10P","Ontology":"PS","INCHIKEY":"DGTYXDDQXQCXKJ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"89.3","RT similarity":"100","Dot product":"22.1","Reverse dot product":"73","Fragment presence %":"100","S/N average":"7948.67","Spectrum reference file name":"210226_Hamze_MM-1835_134n","MS1 isotopic spectrum":"802.46448:1194541 803.46783:1168718 804.47119:782766","MS/MS spectrum":"108.44572:5930 111.95787:5396 113.72095:6378 135.48917:6423 152.99423:137718 161.09885:7329 178.24721:44136 192.9872:10022 205.98364:21852 208.39153:8591 255.2316:178795 262.00955:38087 280.01831:23042 301.21417:58570 391.22784:75510 405.20059:9130 431.21765:18258 437.21152:10396 511.56332:12888 518.24963:118955 564.23181:20354 715.43402:25818 802.44507:17929"},{"Metabolite":"PS 39:3|PS 19:0_20:3","Alignment ID":"3417","Average Rt(min)":"10.697","Average Mz":"826.55951","Adduct type":"[M-H]-","Fill %":"0.903","MS/MS assigned":"TRUE","Reference RT":"9.08","Reference m/z":"826.56042","Formula":"C45H82NO10P","Ontology":"PS","INCHIKEY":"FAKCEXFHJXQKLQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"23.5","Reverse dot product":"55.8","Fragment presence %":"100","S/N average":"1403.8","Spectrum reference file name":"210226_Hamze_MM-1835_001n","MS1 isotopic spectrum":"826.55969:28759020 827.56304:38255468 828.5664:14729809","MS/MS spectrum":"92.74978:5513 96.96932:7048 108.64246:6785 118.84075:5557 128.37407:6848 152.99428:231009 153.99886:34598 154.99887:19773 178.2728:48015 196.82597:9662 255.23166:38717 269.96378:8421 277.21713:66883 279.23517:59348 281.25:30641 283.26624:25466 297.27924:361476 298.28339:360019 299.28708:163577 303.23376:172346 304.23407:101008 305.23935:50151 433.27295:70208 434.27203:111588 435.2746:73585 451.2843:40843 452.28442:69749 453.28784:44692 739.5097:36520 790.95282:10376"},{"Metabolite":"PS 40:4|PS 18:0_22:4","Alignment ID":"3533","Average Rt(min)":"10.596","Average Mz":"838.55872","Adduct type":"[M-H]-","Fill %":"0.586","MS/MS assigned":"TRUE","Reference RT":"8.85","Reference m/z":"838.56042","Formula":"C46H82NO10P","Ontology":"PS","INCHIKEY":"LJUFXCVFKSJRPV-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"19.1","Reverse dot product":"74.1","Fragment presence %":"100","S/N average":"7056.99","Spectrum reference file name":"210226_Hamze_MM-1835_023n","MS1 isotopic spectrum":"838.55884:102775784 839.56219:79165960 840.56555:22772184","MS/MS spectrum":"128.99153:6786 132.16171:5810 139.22385:7013 152.99623:219821 153.99878:24706 154.99879:12192 168.04225:16537 178.27271:20619 224.06894:10182 253.21649:44730 255.23152:137372 257.22638:36878 267.23651:9397 279.23502:25028 283.26608:284208 284.26688:243877 285.27301:93900 301.2197:188876 303.23361:124011 304.23392:20946 305.2449:13553 309.28125:77508 310.28229:83181 311.28824:36058 329.24869:73251 330.25165:80016 331.25272:34649 332.10233:9526 419.26178:45666 420.25903:66677 421.25986:39343 437.27029:16390 438.27341:27273 439.27997:26909 446.27222:26619 447.276:18412 480.31256:26351 751.5072:33250 838.54401:20080"},{"Metabolite":"PS 40:4|PS 18:1_22:3","Alignment ID":"3534","Average Rt(min)":"11.073","Average Mz":"838.55933","Adduct type":"[M-H]-","Fill %":"0.752","MS/MS assigned":"TRUE","Reference RT":"8.68","Reference m/z":"838.56042","Formula":"C46H82NO10P","Ontology":"PS","INCHIKEY":"MMWMWKLZVGMEIJ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCCCCC)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"30.4","Reverse dot product":"83.9","Fragment presence %":"100","S/N average":"16379.59","Spectrum reference file name":"210226_Hamze_MM-1835_015n","MS1 isotopic spectrum":"838.55969:170027536 839.56304:152892208 840.5664:90084872","MS/MS spectrum":"96.96928:6433 99.34555:4806 102.1076:5991 152.99623:235183 154.00085:9376 155.00089:7664 178.24207:12966 185.58209:7594 255.23155:28772 259.51837:9146 281.24988:121225 283.26611:238690 284.26691:97974 285.26788:37240 297.27911:24835 303.23364:70674 305.25067:33024 309.28128:104486 330.25168:13444 331.26569:38154 333.28165:211292 417.24133:22653 419.25259:62030 420.25906:28433 421.25989:14467 433.27277:12479 437.27032:31420 438.26361:16407 445.27182:27039 469.27222:47879 487.28189:20234 750.22595:10031 751.52936:32823 758.52368:11757 838.57019:14366"},{"Metabolite":"PS 40:7|PS 20:3_20:4","Alignment ID":"3476","Average Rt(min)":"9.939","Average Mz":"832.5141","Adduct type":"[M-H]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"8.19","Reference m/z":"832.51343","Formula":"C46H76NO10P","Ontology":"PS","INCHIKEY":"NMJLWAZNDJAQRH-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCCCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"49.8","Reverse dot product":"80.7","Fragment presence %":"100","S/N average":"6409","Spectrum reference file name":"210226_Hamze_MM-1835_107n","MS1 isotopic spectrum":"832.51422:19392204 833.51757:842019904 834.52093:431208320","MS/MS spectrum":"95.22065:4592 96.96827:6085 98.08091:5432 99.37109:4881 101.68684:5147 105.88969:5613 122.15361:5621 135.14439:6809 152.99423:82355 216.33446:8974 255.23158:42577 277.21707:9636 278.22086:14668 281.24991:18510 286.30536:9105 295.2261:68968 303.2337:97151 305.2507:106313 366.45599:12300 421.56647:10047 441.24393:22187 459.25223:13554 480.31265:11240 745.46143:12546 832.50262:14801"},{"Metabolite":"PS 40:9|PS 20:4_20:5","Alignment ID":"3434","Average Rt(min)":"9.354","Average Mz":"828.48267","Adduct type":"[M-H]-","Fill %":"0.524","MS/MS assigned":"TRUE","Reference RT":"7.68","Reference m/z":"828.48212","Formula":"C46H72NO10P","Ontology":"PS","INCHIKEY":"AKQGTVKPNFYOCX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(N)C(=O)O)CCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=2803","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"52.9","Reverse dot product":"70.7","Fragment presence %":"100","S/N average":"126.4","Spectrum reference file name":"210226_Hamze_MM-1835_127n","MS1 isotopic spectrum":"828.48236:1076900 829.48571:2169669 830.48907:828432","MS/MS spectrum":"93.23014:5405 104.88371:5458 116.5189:6359 152.99619:78449 171.05722:7615 178.26756:38394 179.85228:7226 180.37914:8568 207.64729:8529 255.23584:10078 257.22635:18402 277.21695:13466 279.23495:9879 283.26602:24693 294.73639:9340 301.21964:72156 303.23355:103298 347.26193:20360 419.26169:11326 437.2113:13416 439.23047:16541 455.21054:11257 457.24033:11048 741.4563:11250"},{"Metabolite":"SHexCer 28:3;2O","Alignment ID":"2161","Average Rt(min)":"8.886","Average Mz":"690.3819","Adduct type":"[M-H]-","Fill %":"0.931","MS/MS assigned":"TRUE","Reference RT":"6.8","Reference m/z":"690.38928","Formula":"C34H61NO11S","Ontology":"SHexCer","INCHIKEY":"SCCUZMYWGYXXOI-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)C(O)C=CCCCCCCC)CCCCCCCC=CCC=CCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"86.3","RT similarity":"100","Dot product":"11.1","Reverse dot product":"71.9","Fragment presence %":"100","S/N average":"3256.87","Spectrum reference file name":"210226_Hamze_MM-1835_144n","MS1 isotopic spectrum":"690.38281:395668 691.38616:272044 692.38952:69998","MS/MS spectrum":"90.67239:4940 90.89995:4972 96.95484:6202 97.15812:4094 109.20499:5628 113.02354:13655 142.30414:6946 160.88593:7320 163.07498:8703 186.57121:9166 239.15556:8888 387.38422:9289 455.92023:9385 605.41132:64648 690.38678:14365"},{"Metabolite":"SHexCer 34:2;2O","Alignment ID":"3004","Average Rt(min)":"9.41","Average Mz":"776.49884","Adduct type":"[M-H]-","Fill %":"0.966","MS/MS assigned":"TRUE","Reference RT":"8.19","Reference m/z":"776.49878","Formula":"C40H75NO11S","Ontology":"SHexCer","INCHIKEY":"SDSPXVCJAANPSQ-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)C(O)C=CCCCCCCC)CCCCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"75","Reverse dot product":"75","Fragment presence %":"100","S/N average":"534.67","Spectrum reference file name":"210226_Hamze_MM-1835_006n","MS1 isotopic spectrum":"776.49878:2134092 777.50213:1758717 778.50549:4128867","MS/MS spectrum":"96.95898:6776 99.11201:5682 120.2227:7300 147.50784:8615 166.2487:8042 179.75645:9790 228.16844:7623 372.76501:10279 776.48877:1746823"},{"Metabolite":"SHexCer 39:8;2O","Alignment ID":"3494","Average Rt(min)":"10.237","Average Mz":"834.48657","Adduct type":"[M-H]-","Fill %":"0.524","MS/MS assigned":"TRUE","Reference RT":"7.55","Reference m/z":"834.48322","Formula":"C45H73NO11S","Ontology":"SHexCer","INCHIKEY":"HEFXYBZAPGYXGH-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)C(O)C=CCCC=CCCCC)CCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"97.5","RT similarity":"100","Dot product":"3.5","Reverse dot product":"74.1","Fragment presence %":"100","S/N average":"221.14","Spectrum reference file name":"210226_Hamze_MM-1835_068n","MS1 isotopic spectrum":"834.48633:3263441 835.48968:3480329 836.49304:834328","MS/MS spectrum":"96.96926:10206 134.98424:16468 152.99419:422562 178.26758:20403 235.99474:12822 241.00897:16000 255.23151:1261516 259.24472:19993 281.24982:193217 283.26605:34825 285.25748:12464 303.23361:396554 307.26468:86841 309.28122:40087 327.23737:21912 329.24869:41445 391.22772:435413 409.23251:81455 417.24127:41834 435.25485:29438 439.23053:42385 443.26093:15252 548.26068:24870 695.47925:17528 834.49182:54182"},{"Metabolite":"SHexCer 40:1;2O","Alignment ID":"3739","Average Rt(min)":"11.497","Average Mz":"862.60645","Adduct type":"[M-H]-","Fill %":"0.572","MS/MS assigned":"TRUE","Reference RT":"9.65","Reference m/z":"862.6084","Formula":"C46H89NO11S","Ontology":"SHexCer","INCHIKEY":"QOLPJRGLDWCGJQ-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"74.3","Reverse dot product":"75","Fragment presence %":"100","S/N average":"173.88","Spectrum reference file name":"210226_Hamze_MM-1835_111n","MS1 isotopic spectrum":"862.60785:4289557 863.6112:4185124 864.61456:1314389","MS/MS spectrum":"96.95905:9554 115.18547:6300 156.13423:7211 170.2292:7422 222.08006:7951 281.24484:13237 283.24054:17970 303.2337:19256 311.29419:26192 327.23111:34802 344.60248:11134 392.68591:9228 435.36224:10646 492.34497:11648 601.55988:10836 862.61926:2417228"},{"Metabolite":"SHexCer 40:3;3O","Alignment ID":"3834","Average Rt(min)":"9.682","Average Mz":"874.58105","Adduct type":"[M-H]-","Fill %":"0.966","MS/MS assigned":"TRUE","Reference RT":"8.53","Reference m/z":"874.57202","Formula":"C46H85NO12S","Ontology":"SHexCer","INCHIKEY":"FEQGBWRVRSQLNC-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)C(O)C=CCCCCCCC)C(O)CCCCCCCCCCCCCCC=CCC=CCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"87.9","RT similarity":"100","Dot product":"1.1","Reverse dot product":"75","Fragment presence %":"100","S/N average":"108.23","Spectrum reference file name":"210226_Hamze_MM-1835_072n","MS1 isotopic spectrum":"874.57947:5858981 875.58282:4826226 876.58618:1452847","MS/MS spectrum":"96.96926:8458 122.0015:10234 140.01027:41112 141.09087:12732 144.41995:7123 152.99417:13727 167.14305:15805 169.12329:19461 173.1933:7477 178.0276:11661 179.84453:7615 185.1539:16222 196.03662:31203 200.05524:16598 211.13463:28085 229.14488:20311 239.16367:21383 241.18181:26190 249.18555:11423 249.37148:8821 255.16147:13325 255.23149:75203 256.23703:21371 275.3924:9752 281.24982:394947 283.18927:17124 283.2251:12979 293.17804:176030 319.22659:16044 321.24475:58063 325.20032:467814 337.23608:57601 345.20068:9547 345.242:47367 363.25339:70588 375.64081:8864 460.2894:20376 478.29578:68215 480.3125:10173 786.50488:112022 800.54443:15777 874.54706:10541"},{"Metabolite":"SHexCer 42:1;2O","Alignment ID":"3979","Average Rt(min)":"12.227","Average Mz":"890.6405","Adduct type":"[M-H]-","Fill %":"0.538","MS/MS assigned":"TRUE","Reference RT":"10.51","Reference m/z":"890.63971","Formula":"C48H93NO11S","Ontology":"SHexCer","INCHIKEY":"YMXSSEPSWDLDTL-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)C(O)C=CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"73.7","Reverse dot product":"75","Fragment presence %":"100","S/N average":"542.32","Spectrum reference file name":"210226_Hamze_MM-1835_048n","MS1 isotopic spectrum":"890.63977:1427180 891.64312:1535528 892.64648:452162","MS/MS spectrum":"96.95998:5779 126.6303:7046 149.48958:7313 178.27258:48207 303.2334:15037 327.2308:11716 749.89453:9707 890.64917:1065290"},{"Metabolite":"SHexCer 42:8;3O","Alignment ID":"3994","Average Rt(min)":"9.811","Average Mz":"892.53473","Adduct type":"[M-H]-","Fill %":"0.91","MS/MS assigned":"TRUE","Reference RT":"7.84","Reference m/z":"892.52502","Formula":"C48H79NO12S","Ontology":"SHexCer","INCHIKEY":"NGDRUQDPYRQHNB-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)C(O)C=CCCC=CCCCCC)C(O)CCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"92.5","RT similarity":"100","Dot product":"10","Reverse dot product":"75","Fragment presence %":"100","S/N average":"10380.56","Spectrum reference file name":"210226_Hamze_MM-1835_131n","MS1 isotopic spectrum":"892.53119:1395582 893.53454:1397475 894.5379:513667","MS/MS spectrum":"96.96827:4791 98.22395:4271 111.26157:5703 114.17937:6917 137.88084:7689 152.99423:49824 155.15642:7828 210.40533:7774 220.39122:7794 229.1971:10028 255.23158:156404 283.24054:56658 327.23111:105886 370.71826:11417 391.22784:47718 409.23264:19900 582.31177:13263 892.53656:25219"},{"Metabolite":"SHexCer 54:5;2O","Alignment ID":"5082","Average Rt(min)":"13.437","Average Mz":"1050.7511","Adduct type":"[M-H]-","Fill %":"0.572","MS/MS assigned":"TRUE","Reference RT":"13.63","Reference m/z":"1050.76489","Formula":"C60H109NO11S","Ontology":"SHexCer","INCHIKEY":"KRLPSUFYDCFPQD-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)C(O)C=CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit Height by alignment ID=-1","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"87.9","RT similarity":"100","Dot product":"12","Reverse dot product":"72.9","Fragment presence %":"100","S/N average":"62.76","Spectrum reference file name":"210226_Hamze_MM-1835_023n","MS1 isotopic spectrum":"1050.75562:627186 1051.75897:795394 1052.76233:309109","MS/MS spectrum":"95.636:5456 96.9621:5959 100.87262:5216 116.1955:5164 120.70115:6911 151.15984:7016 173.60027:8904 211.23021:7649 279.23502:14363 281.24985:69132 282.23489:8860 283.24561:24348 327.23102:44953 368.94656:8625 500.45499:10739 503.53439:8852 649.31152:11319 1050.76758:13474"},{"Metabolite":"SM 32:1;2O|SM 16:1;2O/16:0","Alignment ID":"2609","Average Rt(min)":"10.113","Average Mz":"733.54962","Adduct type":"[M+CH3COO]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"8.35","Reference m/z":"733.55011","Formula":"C37H75N2O6P","Ontology":"SM","INCHIKEY":"RPTUKVYGSPDHGQ-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCC)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"78.1","Reverse dot product":"87.4","Fragment presence %":"100","S/N average":"872.36","Spectrum reference file name":"210226_Hamze_MM-1835_061n","MS1 isotopic spectrum":"733.54742:8099768 734.55077:7651324 735.55413:1731273","MS/MS spectrum":"122.98554:22299 152.99626:444978 168.04228:680925 178.24464:29476 269.25076:1127442 283.24567:33139 327.23111:100460 405.24438:93205 421.28781:10122 423.25363:98023 588.43988:18321 614.45233:11073 659.52094:3432004 718.48462:11119 733.54327:10439"},{"Metabolite":"SM 33:1;2O|SM 17:1;2O/16:0","Alignment ID":"2752","Average Rt(min)":"10.42","Average Mz":"747.5658","Adduct type":"[M+CH3COO]-","Fill %":"0.89","MS/MS assigned":"TRUE","Reference RT":"8.58","Reference m/z":"747.5658","Formula":"C38H77N2O6P","Ontology":"SM","INCHIKEY":"RXLZIONNUYYHHW-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCC)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"29.1","Reverse dot product":"84.6","Fragment presence %":"100","S/N average":"700.04","Spectrum reference file name":"210226_Hamze_MM-1835_004n","MS1 isotopic spectrum":"747.56482:4434314 748.56817:3701482 749.57153:1195349","MS/MS spectrum":"96.96922:18118 121.10217:18221 122.98544:8340 124.99998:139066 133.10135:17495 135.11729:15767 147.11813:8285 149.13307:18580 152.99614:694449 163.14883:15459 168.04214:211809 171.00433:20377 175.1503:20015 177.16353:52775 178.24706:77114 181.02589:141860 189.16452:11579 191.18059:26337 199.03822:23655 229.19691:146834 241.19778:8764 249.18542:37145 255.23137:1992822 281.24969:45214 283.2659:1710905 295.62387:9307 307.26453:9846 327.23083:1126290 419.26154:168527 435.30338:10685 437.27005:299306 463.2189:13561 673.52374:1153972 747.49731:14857"},{"Metabolite":"SM 33:1;3O","Alignment ID":"2892","Average Rt(min)":"10.164","Average Mz":"763.55829","Adduct type":"[M+CH3COO]-","Fill %":"0.669","MS/MS assigned":"TRUE","Reference RT":"8.38","Reference m/z":"763.56073","Formula":"C38H77N2O7P","Ontology":"SM","INCHIKEY":"MCGTUTZFILGTCD-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCC=CCCC)CCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"61.1","Reverse dot product":"83","Fragment presence %":"100","S/N average":"29.9","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"763.56:996720 764.56335:925183 765.56671:133212","MS/MS spectrum":"102.94575:5448 104.25338:5495 125.09608:22075 125.99777:6251 168.04218:133955 227.20198:9113 253.21638:17974 254.21872:12115 255.23141:21475 281.24466:13076 301.21396:11074 302.21555:12866 327.23724:9735 339.09875:8408 345.69:9246 689.53088:230768 703.52368:12592 718.36005:9775 763.45947:17266"},{"Metabolite":"SM 34:0;2O|SM 18:0;2O/16:0","Alignment ID":"2894","Average Rt(min)":"11.003","Average Mz":"763.59448","Adduct type":"[M+CH3COO]-","Fill %":"0.876","MS/MS assigned":"TRUE","Reference RT":"9.27","Reference m/z":"763.59711","Formula":"C39H81N2O6P","Ontology":"SM","INCHIKEY":"QHZIGNLCLJPLCU-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"64.6","Reverse dot product":"84.5","Fragment presence %":"100","S/N average":"157.86","Spectrum reference file name":"210226_Hamze_MM-1835_056n","MS1 isotopic spectrum":"763.59448:35535220 764.59783:33652332 765.60119:9570685","MS/MS spectrum":"96.96928:24745 117.07051:15097 121.10225:25379 122.00153:25164 122.98553:64334 125.09765:25725 133.10144:31058 135.11739:26173 140.01208:365893 141.01535:15672 149.13318:25105 152.99625:237064 153.99879:13675 161.13396:15256 163.14894:31627 168.04227:2043192 175.14793:15861 177.16365:61389 178.168:22710 178.27017:38371 189.16464:12761 191.18073:34825 192.1837:21893 196.03667:322158 197.03954:49128 203.1812:21491 214.04668:22648 229.19708:195755 230.19881:112085 249.18559:50626 250.18958:28271 253.21652:97402 254.21887:55900 255.23155:2749109 256.23709:1617043 257.22644:45530 258.23041:37685 259.24478:56842 260.2471:33266 279.23004:274286 280.23471:178616 281.24988:169966 282.25021:113560 283.24051:725902 284.24634:685745 285.25754:28453 286.26373:19036 297.27911:72109 301.21411:157670 302.22134:142091 303.23367:472576 304.23395:385688 309.2229:18198 310.22366:19292 327.23108:1240372 328.23758:1177001 329.24875:91380 330.25168:69664 391.22778:29123 392.22672:24434 409.24149:12074 419.25262:111994 420.25909:148114 434.26215:70633 435.27441:36110 437.27036:66197 438.27347:62390 451.3356:23365 452.2739:247714 453.27731:241081 476.28067:24858 477.27548:22297 479.28574:15300 600.4682:18856 618.49506:45979 644.50647:14077 670.0658:12839 676.49933:70681 689.55066:10400064 704.52692:13849 763.50519:49164"},{"Metabolite":"SM 34:1;2O|SM 18:1;2O/16:0","Alignment ID":"2875","Average Rt(min)":"10.752","Average Mz":"761.57977","Adduct type":"[M+CH3COO]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"8.79","Reference m/z":"761.58142","Formula":"C39H79N2O6P","Ontology":"SM","INCHIKEY":"RWKUXQNLWDTSLO-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"92.6","Reverse dot product":"87.1","Fragment presence %":"100","S/N average":"7932.8","Spectrum reference file name":"210226_Hamze_MM-1835_017n","MS1 isotopic spectrum":"761.58014:136718784 762.58349:161033648 763.58685:36776796","MS/MS spectrum":"122.98553:77069 135.1174:10009 140.01208:27996 152.99625:72201 168.04227:2324424 175.14795:12258 196.03963:23058 227.18007:25816 228.18709:11954 253.21654:23661 255.23157:233524 256.23709:151051 269.25073:43490 281.22458:55725 282.22986:74690 283.24054:10984 297.27914:124797 325.2193:24685 326.22287:28326 327.23743:13221 449.3143:47323 452.27393:17258 551.65344:10608 572.65686:11126 598.46686:11747 616.46869:62309 642.49091:14385 687.55261:12122995 702.50342:14011 761.56091:27654"},{"Metabolite":"SM 34:1;3O","Alignment ID":"3016","Average Rt(min)":"10.491","Average Mz":"777.57507","Adduct type":"[M+CH3COO]-","Fill %":"0.628","MS/MS assigned":"TRUE","Reference RT":"8.51","Reference m/z":"777.57629","Formula":"C39H79N2O7P","Ontology":"SM","INCHIKEY":"FDLNUCQCWAHRMF-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCC=CCCC)CCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"83.6","Reverse dot product":"84.7","Fragment presence %":"100","S/N average":"81.14","Spectrum reference file name":"210226_Hamze_MM-1835_130n","MS1 isotopic spectrum":"777.57556:7240275 778.57891:5876121 779.58227:1725290","MS/MS spectrum":"116.33954:5970 122.98406:24938 127.97206:6600 134.21803:6597 159.03757:8152 163.61984:7705 168.04227:967766 178.26762:53104 180.62918:8529 271.23019:12080 282.25021:18558 429.59735:9479 527.11487:11659 632.46808:26947 703.54413:1943721 777.55902:13143"},{"Metabolite":"SM 34:2;2O|SM 18:2;2O/16:0","Alignment ID":"2856","Average Rt(min)":"10.23","Average Mz":"759.56531","Adduct type":"[M+CH3COO]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"8.49","Reference m/z":"759.5658","Formula":"C39H77N2O6P","Ontology":"SM","INCHIKEY":"RYPRHPLEPBYJJE-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"93.3","Reverse dot product":"88.8","Fragment presence %":"100","S/N average":"1870.92","Spectrum reference file name":"210226_Hamze_MM-1835_103n","MS1 isotopic spectrum":"759.56561:11906700 760.56896:9912995 761.57232:2638602","MS/MS spectrum":"122.9855:27330 126.52029:7748 134.20131:7307 137.8721:6914 152.99622:31768 168.04224:720142 186.96597:9141 197.87665:8469 235.69917:10242 255.23151:9574 255.84114:8821 259.38373:9734 279.23502:27909 281.24982:16945 295.26416:55533 303.22794:9173 393.77411:9969 447.2963:14665 598.87561:9883 614.45215:19754 674.63275:8619 685.52448:3249615 709.28925:9026 759.5564:24379"},{"Metabolite":"SM 36:1;2O|SM 18:1;2O/18:0","Alignment ID":"3115","Average Rt(min)":"11.514","Average Mz":"789.61243","Adduct type":"[M+CH3COO]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"9.72","Reference m/z":"789.61267","Formula":"C41H83N2O6P","Ontology":"SM","INCHIKEY":"LKQLRGMMMAHREN-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"91.3","Reverse dot product":"84.6","Fragment presence %":"100","S/N average":"2156.92","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"789.61243:140165568 790.61578:166557696 791.61914:45372092","MS/MS spectrum":"122.98546:88322 140.01201:9296 152.99615:77112 168.04218:2537222 171.00676:14660 178.27008:65969 269.25058:16934 281.24973:147615 282.25003:46319 283.26596:351296 284.26675:105746 295.26404:543129 297.27896:18569 309.2811:41916 325.3136:23811 327.2309:22528 328.2374:15811 419.2616:39839 420.25885:34408 437.27011:9680 449.31403:60722 505.28568:18566 511.30219:10697 626.49884:15222 644.5061:75441 670.51263:12410 694.90826:14376 702.52295:17867 709.89783:9357 715.57739:13838681 730.54425:16531 737.03217:12827 789.5686:78146"},{"Metabolite":"SM 36:2;2O|SM 16:2;2O/20:0","Alignment ID":"3101","Average Rt(min)":"10.906","Average Mz":"787.59729","Adduct type":"[M+CH3COO]-","Fill %":"0.669","MS/MS assigned":"TRUE","Reference RT":"9.13","Reference m/z":"787.59711","Formula":"C41H81N2O6P","Ontology":"SM","INCHIKEY":"AWJKEZLGNWGPAG-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCC=CCCCCCCC)CCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"68.5","Reverse dot product":"84.1","Fragment presence %":"100","S/N average":"178.67","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"787.59729:7341330 788.60064:7383083 789.604:2091836","MS/MS spectrum":"112.98489:34758 122.98546:21399 152.99615:277489 153.99872:26542 168.04218:580410 171.00676:13040 178.27263:10836 255.23141:68880 269.25058:16467 279.23489:319334 280.23456:120625 281.24973:154722 282.25003:17046 283.26596:432066 284.26675:338418 295.26404:137932 297.27896:44162 307.26456:56006 309.27527:9634 391.22757:18009 392.54364:9896 409.23236:13348 415.2261:19018 416.22723:32925 417.24112:15574 419.2616:117320 420.25885:124160 437.27011:66886 438.27322:76648 642.49054:19255 700.50806:46906 713.5675:2683083 755.57117:23536 772.57745:36472 787.54767:50673"},{"Metabolite":"SM 37:1;2O|SM 18:1;2O/19:0","Alignment ID":"3245","Average Rt(min)":"11.95","Average Mz":"803.62823","Adduct type":"[M+CH3COO]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"10.21","Reference m/z":"803.62842","Formula":"C42H85N2O6P","Ontology":"SM","INCHIKEY":"HAFQHLHNPJDAGB-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"87.8","Reverse dot product":"84.7","Fragment presence %":"100","S/N average":"282.53","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"803.62823:5817048 804.63158:5652524 805.63494:1791762","MS/MS spectrum":"106.87331:7067 114.46014:6212 122.98546:12768 125.29009:6829 131.8815:6548 136.4218:6355 152.99615:25587 157.30321:7302 168.04218:325969 178.24707:24812 190.17419:8307 198.88759:8191 234.54555:9317 279.23489:16405 281.24973:123658 283.26596:17592 309.2811:58789 311.29398:42216 339.32681:19662 412.63104:9435 449.31403:12102 673.0174:9941 729.59119:1793082 803.59277:19032"},{"Metabolite":"SM 38:1;2O","Alignment ID":"3348","Average Rt(min)":"12.884","Average Mz":"817.64349","Adduct type":"[M+CH3COO]-","Fill %":"0.876","MS/MS assigned":"TRUE","Reference RT":"10.76","Reference m/z":"817.64398","Formula":"C43H87N2O6P","Ontology":"SM","INCHIKEY":"GJBCRJRMBDUHKZ-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"97.6","RT similarity":"100","Dot product":"61.2","Reverse dot product":"92.8","Fragment presence %":"100","S/N average":"839.25","Spectrum reference file name":"210226_Hamze_MM-1835_140n","MS1 isotopic spectrum":"817.64362:3638801 818.64697:2640440 819.65033:608956","MS/MS spectrum":"95.99851:4801 107.75061:5931 112.63756:6158 119.61504:6419 126.02969:6681 168.04221:76399 178.27267:14489 255.23148:19840 256.237:13575 279.22995:75406 280.23462:52969 281.24979:18018 325.06812:9455 363.54343:8744 416.97595:8919 635.17487:9329 743.60699:222060 757.62708:44174 817.66772:23916"},{"Metabolite":"SM 38:1;2O|SM 18:1;2O/20:0","Alignment ID":"3349","Average Rt(min)":"12.388","Average Mz":"817.64441","Adduct type":"[M+CH3COO]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"10.75","Reference m/z":"817.64398","Formula":"C43H87N2O6P","Ontology":"SM","INCHIKEY":"AADLTHQNYQJHQV-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"93.5","Reverse dot product":"84.6","Fragment presence %":"100","S/N average":"10927.71","Spectrum reference file name":"210226_Hamze_MM-1835_047n","MS1 isotopic spectrum":"817.64435:57724532 818.6477:62819676 819.65106:18835086","MS/MS spectrum":"122.98544:29904 168.04214:888127 169.74837:10043 178.2726:47183 255.23137:23709 256.23691:15055 279.23486:72011 280.2345:25016 281.24966:46777 282.2551:16650 309.28107:10402 438.52939:9827 449.31396:12302 672.53033:29594 714.36621:13459 743.60669:4815620"},{"Metabolite":"SM 38:2;2O|SM 16:2;2O/22:0","Alignment ID":"3339","Average Rt(min)":"11.7","Average Mz":"815.62781","Adduct type":"[M+CH3COO]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"9.92","Reference m/z":"815.62842","Formula":"C43H85N2O6P","Ontology":"SM","INCHIKEY":"BYNNVNDPBQKSIU-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCC=CCCCCCCC)CCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"87.7","Reverse dot product":"84.7","Fragment presence %":"100","S/N average":"366.29","Spectrum reference file name":"210226_Hamze_MM-1835_033n","MS1 isotopic spectrum":"815.63007:1764448 816.63342:1410398 817.63678:253980","MS/MS spectrum":"130.35982:6965 152.99625:7943 168.04227:147242 174.0087:7115 203.36168:8545 279.23007:37206 280.23474:13957 297.27914:17321 307.26474:37564 419.25262:10358 741.58667:647472"},{"Metabolite":"SM 39:1;2O","Alignment ID":"3473","Average Rt(min)":"12.882","Average Mz":"831.65912","Adduct type":"[M+CH3COO]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"11.24","Reference m/z":"831.65973","Formula":"C44H89N2O6P","Ontology":"SM","INCHIKEY":"LBBHHYRFVVPTSY-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"99.4","RT similarity":"100","Dot product":"80.6","Reverse dot product":"92.1","Fragment presence %":"100","S/N average":"3226.91","Spectrum reference file name":"210226_Hamze_MM-1835_092n","MS1 isotopic spectrum":"831.65924:29969354 832.66259:26248482 833.66595:7476669","MS/MS spectrum":"133.74176:6516 168.04221:103382 173.08809:7216 178.2471:49509 269.91119:8029 279.22995:30186 280.23462:11010 281.24472:29218 282.25009:14827 283.26599:13569 293.71771:8786 757.62701:519765 771.40308:16339 771.63312:12783 831.65179:21873"},{"Metabolite":"SM 39:1;2O|SM 23:0;2O/16:1","Alignment ID":"3474","Average Rt(min)":"13.322","Average Mz":"831.65997","Adduct type":"[M+CH3COO]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"11.25","Reference m/z":"831.65973","Formula":"C44H89N2O6P","Ontology":"SM","INCHIKEY":"CJGNFYJXMONFCB-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)CCCCCCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"79","Reverse dot product":"84.6","Fragment presence %":"100","S/N average":"3067.54","Spectrum reference file name":"210226_Hamze_MM-1835_053n","MS1 isotopic spectrum":"831.65967:36267604 832.66302:39974440 833.66638:13371027","MS/MS spectrum":"153.95569:6896 168.04224:93883 185.29736:8177 187.73692:7425 188.79362:8370 279.23502:31166 280.23465:10412 281.24982:19479 282.25525:13380 327.23102:10113 328.23752:13444 328.62735:9639 521.39252:11824 699.27576:12099 757.62714:491767 771.6333:36407"},{"Metabolite":"SM 39:2;2O|SM 17:1;2O/22:1","Alignment ID":"3455","Average Rt(min)":"11.995","Average Mz":"829.64496","Adduct type":"[M+CH3COO]-","Fill %":"0.821","MS/MS assigned":"TRUE","Reference RT":"10.46","Reference m/z":"829.64398","Formula":"C44H87N2O6P","Ontology":"SM","INCHIKEY":"VOMVDAULVZEHML-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"85.2","Reverse dot product":"84.7","Fragment presence %":"100","S/N average":"91.96","Spectrum reference file name":"210226_Hamze_MM-1835_002n","MS1 isotopic spectrum":"829.64484:3760028 830.64819:4381774 831.65155:1084511","MS/MS spectrum":"152.99419:34061 168.04224:239786 178.27269:10633 197.94539:9393 216.9335:8486 257.89209:9078 268.44604:9317 279.22998:44781 280.23465:42527 281.24475:52937 283.26093:19696 284.26688:17421 309.27539:12315 337.30927:14078 365.34366:83292 435.29385:9138 465.91754:9103 755.61603:1152872"},{"Metabolite":"SM 40:0;2O|SM 18:0;2O/22:0","Alignment ID":"3611","Average Rt(min)":"13.717","Average Mz":"847.68878","Adduct type":"[M+CH3COO]-","Fill %":"0.579","MS/MS assigned":"TRUE","Reference RT":"12.63","Reference m/z":"847.69098","Formula":"C45H93N2O6P","Ontology":"SM","INCHIKEY":"FONAXCRWZQFJHY-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"83.4","Reverse dot product":"87.9","Fragment presence %":"100","S/N average":"1629.3","Spectrum reference file name":"210226_Hamze_MM-1835_087n","MS1 isotopic spectrum":"847.68866:14478334 848.69201:13020308 849.69537:3662679","MS/MS spectrum":"122.98548:20525 168.04221:623540 169.04773:12098 178.27011:26159 185.05383:8864 200.71306:9606 281.24979:57715 282.25009:41546 284.27197:15276 324.25159:9146 327.23096:25240 328.23746:16285 339.3269:42099 340.3291:45980 451.33545:9633 702.58313:11169 772.64679:27038 773.66241:2820587 786.64691:111928 787.6665:184265 797.65814:11541 847.69092:11439"},{"Metabolite":"SM 40:0;3O","Alignment ID":"3749","Average Rt(min)":"12.845","Average Mz":"863.68536","Adduct type":"[M+CH3COO]-","Fill %":"0.966","MS/MS assigned":"TRUE","Reference RT":"11.14","Reference m/z":"863.68591","Formula":"C45H93N2O7P","Ontology":"SM","INCHIKEY":"KJJROPZLIQBXPI-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"86.6","Reverse dot product":"85.4","Fragment presence %":"100","S/N average":"162.32","Spectrum reference file name":"210226_Hamze_MM-1835_111n","MS1 isotopic spectrum":"863.68567:7290614 864.68902:6414977 865.69238:2124075","MS/MS spectrum":"122.98554:17757 127.46994:6207 128.5022:6373 168.04228:548143 178.27275:13115 303.2337:12504 327.23111:14294 339.61584:9685 700.8869:9968 789.64062:1560275 841.6554:9346"},{"Metabolite":"SM 40:2;2O|SM 18:1;2O/22:1","Alignment ID":"3567","Average Rt(min)":"12.426","Average Mz":"843.65918","Adduct type":"[M+CH3COO]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"10.85","Reference m/z":"843.65973","Formula":"C45H89N2O6P","Ontology":"SM","INCHIKEY":"VBFKEZGCUWHGSK-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"94","Reverse dot product":"84.6","Fragment presence %":"100","S/N average":"7989.25","Spectrum reference file name":"210226_Hamze_MM-1835_027n","MS1 isotopic spectrum":"843.65973:47804396 844.66308:43246312 845.66644:13152141","MS/MS spectrum":"118.3111:6701 122.9855:23595 148.96902:7417 168.04224:654206 279.23502:22459 280.23468:15023 449.31421:9201 607.20703:9526 698.54175:20530 769.61206:3066653"},{"Metabolite":"SM 40:2;2O|SM 18:2;2O/22:0","Alignment ID":"3566","Average Rt(min)":"12.595","Average Mz":"843.65881","Adduct type":"[M+CH3COO]-","Fill %":"0.959","MS/MS assigned":"TRUE","Reference RT":"10.89","Reference m/z":"843.65973","Formula":"C45H89N2O6P","Ontology":"SM","INCHIKEY":"UCLWWTCDZKLHGY-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"94","Reverse dot product":"84.7","Fragment presence %":"100","S/N average":"5165.49","Spectrum reference file name":"210226_Hamze_MM-1835_128n","MS1 isotopic spectrum":"843.65967:49212640 844.66302:52433100 845.66638:14340693","MS/MS spectrum":"122.9855:38149 168.04224:949330 178.27269:22445 239.78838:8693 255.23587:14317 256.23703:10542 279.23502:10451 280.23465:16139 281.24982:11482 303.23358:10332 305.25061:29719 306.24939:20626 335.69211:10049 447.29626:20400 698.54169:19331 769.612:4466060"},{"Metabolite":"SM 40:3;2O|SM 18:2;2O/22:1","Alignment ID":"3555","Average Rt(min)":"11.738","Average Mz":"841.64325","Adduct type":"[M+CH3COO]-","Fill %":"0.917","MS/MS assigned":"TRUE","Reference RT":"10.29","Reference m/z":"841.64398","Formula":"C45H87N2O6P","Ontology":"SM","INCHIKEY":"ZLJGRYMTFZJMLY-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"88.2","Reverse dot product":"84.7","Fragment presence %":"100","S/N average":"680.79","Spectrum reference file name":"210226_Hamze_MM-1835_002n","MS1 isotopic spectrum":"841.64337:3037648 842.64672:3041636 843.65008:1045386","MS/MS spectrum":"152.99622:19226 168.04224:231964 178.27269:32275 279.22998:10001 283.26605:12062 284.26688:9566 303.23361:23314 304.23959:16656 305.24487:12800 306.25516:13776 311.2941:33456 312.29901:18526 447.28613:15812 767.59869:968168"},{"Metabolite":"SM 41:0;3O","Alignment ID":"3861","Average Rt(min)":"13.306","Average Mz":"877.69897","Adduct type":"[M+CH3COO]-","Fill %":"0.814","MS/MS assigned":"TRUE","Reference RT":"11.54","Reference m/z":"877.70148","Formula":"C46H95N2O7P","Ontology":"SM","INCHIKEY":"ZXPASLFSSOXKCA-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"83.6","Reverse dot product":"85.1","Fragment presence %":"100","S/N average":"349.41","Spectrum reference file name":"210226_Hamze_MM-1835_142n","MS1 isotopic spectrum":"877.7019:1574208 878.70525:1255525 879.70861:378543","MS/MS spectrum":"100.34489:5188 148.91818:14263 168.04213:147303 190.60005:8793 196.51184:10148 226.49757:8040 291.98495:9294 803.66595:372828"},{"Metabolite":"SM 41:1;3O","Alignment ID":"3842","Average Rt(min)":"12.433","Average Mz":"875.68469","Adduct type":"[M+CH3COO]-","Fill %":"0.621","MS/MS assigned":"TRUE","Reference RT":"10.95","Reference m/z":"875.68591","Formula":"C46H93N2O7P","Ontology":"SM","INCHIKEY":"QEHAVNXYRTXHRF-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCC=CCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"72.4","Reverse dot product":"86.4","Fragment presence %":"100","S/N average":"26.81","Spectrum reference file name":"210226_Hamze_MM-1835_061n","MS1 isotopic spectrum":"875.68469:1040337 876.68804:894181 877.6914:260333","MS/MS spectrum":"104.18606:5683 112.98496:11749 115.66747:5629 150.65233:7155 168.04228:39313 173.89293:7470 188.45714:7536 253.8407:8217 283.26614:19821 329.24878:15790 330.25174:20153 449.38593:9520 615.50031:9519 801.64026:204779"},{"Metabolite":"SM 41:2;2O","Alignment ID":"3695","Average Rt(min)":"13.322","Average Mz":"857.67499","Adduct type":"[M+CH3COO]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"11.65","Reference m/z":"857.67529","Formula":"C46H91N2O6P","Ontology":"SM","INCHIKEY":"CPKRWNMOZLZCOA-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCC=CCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"91.4","RT similarity":"100","Dot product":"78.1","Reverse dot product":"84.3","Fragment presence %":"90","S/N average":"5679.01","Spectrum reference file name":"210226_Hamze_MM-1835_143n","MS1 isotopic spectrum":"857.67426:57429592 858.67761:59569804 859.68097:29137578","MS/MS spectrum":"106.53597:7350 110.8543:6450 122.9854:7034 127.61053:7528 168.04208:423931 184.84036:8811 216.25906:8450 267.92712:9828 276.08044:8834 281.24451:14656 290.92712:9272 305.25034:9840 306.24915:11223 312.19214:13123 451.06757:9314 637.55298:13068 768.07776:9033 771.63263:14243 783.64642:1712792 797.65759:359266"},{"Metabolite":"SM 41:2;2O|SM 17:1;2O/24:1","Alignment ID":"3693","Average Rt(min)":"12.886","Average Mz":"857.67328","Adduct type":"[M+CH3COO]-","Fill %":"0.979","MS/MS assigned":"TRUE","Reference RT":"11.61","Reference m/z":"857.67529","Formula":"C46H91N2O6P","Ontology":"SM","INCHIKEY":"CKMNVZMIZWXCBB-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"94","Reverse dot product":"84.7","Fragment presence %":"100","S/N average":"5124.65","Spectrum reference file name":"210226_Hamze_MM-1835_143n","MS1 isotopic spectrum":"857.67621:39497588 858.67956:36100980 859.68292:11787016","MS/MS spectrum":"122.9854:29918 166.30388:8707 168.04208:792317 178.24443:22657 279.23477:11219 280.23444:9940 283.26068:12373 305.25034:21936 307.2644:18636 308.2673:19827 314.60468:8937 344.04639:9307 383.57312:9218 435.30322:13140 694.55402:12097 712.56537:29552 762.93842:9983 783.64642:3556968 796.64264:19934 797.63336:20701"},{"Metabolite":"SM 41:2;2O|SM 18:2;2O/23:0","Alignment ID":"3694","Average Rt(min)":"13.088","Average Mz":"857.67365","Adduct type":"[M+CH3COO]-","Fill %":"0.876","MS/MS assigned":"TRUE","Reference RT":"11.67","Reference m/z":"857.67529","Formula":"C46H91N2O6P","Ontology":"SM","INCHIKEY":"PENYJGUXTJATDH-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"93.6","Reverse dot product":"84.7","Fragment presence %":"100","S/N average":"1235.02","Spectrum reference file name":"210226_Hamze_MM-1835_021n","MS1 isotopic spectrum":"857.67517:10728780 858.67852:11412006 859.68188:4280092","MS/MS spectrum":"103.79552:6332 122.98554:16582 158.92352:6614 161.9054:7047 168.0423:591505 175.15294:7893 200.49046:8721 247.83543:8040 279.23511:22789 280.23477:11028 305.25073:28656 373.86502:10305 447.29645:16013 712.56622:12481 783.6474:2767066"},{"Metabolite":"SM 41:3;2O","Alignment ID":"3677","Average Rt(min)":"12.18","Average Mz":"855.65906","Adduct type":"[M+CH3COO]-","Fill %":"0.517","MS/MS assigned":"TRUE","Reference RT":"10.55","Reference m/z":"855.65973","Formula":"C46H89N2O6P","Ontology":"SM","INCHIKEY":"ZPQPUACAQYALHO-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCC=CCCC)CCCCCCCCCCCCCCC=CCCCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"89.3","RT similarity":"100","Dot product":"55.2","Reverse dot product":"84.3","Fragment presence %":"90","S/N average":"141.98","Spectrum reference file name":"210226_Hamze_MM-1835_039n","MS1 isotopic spectrum":"855.6593:1907095 856.66265:1186876 857.66601:0","MS/MS spectrum":"122.98553:6909 168.04228:93487 224.069:12267 283.26614:69362 284.26694:58238 285.27307:19139 303.23367:31633 304.23398:15940 305.2507:142997 306.24948:139790 307.2532:58667 331.26575:125838 332.26492:88200 418.67258:9092 781.62561:428334 782.42395:9542"},{"Metabolite":"SM 42:0;3O","Alignment ID":"3989","Average Rt(min)":"13.827","Average Mz":"891.71655","Adduct type":"[M+CH3COO]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"12.41","Reference m/z":"891.71722","Formula":"C47H97N2O7P","Ontology":"SM","INCHIKEY":"BZLXBKLWLUQZGS-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"81.1","Reverse dot product":"86.1","Fragment presence %":"100","S/N average":"1736.42","Spectrum reference file name":"210226_Hamze_MM-1835_074n","MS1 isotopic spectrum":"891.71631:8189735 892.71966:7016476 893.72302:3017552","MS/MS spectrum":"109.57725:5280 110.65662:5507 119.06491:6852 122.984:6989 136.77492:7250 140.84464:6520 154.01309:7839 168.04218:122185 184.89174:7759 195.88635:7221 241.66505:8556 392.41843:10218 739.46588:9843 817.6676:370376 891.70636:11054"},{"Metabolite":"SM 42:1;2O|SM 18:1;2O/24:0","Alignment ID":"3826","Average Rt(min)":"14.347","Average Mz":"873.70709","Adduct type":"[M+CH3COO]-","Fill %":"0.531","MS/MS assigned":"TRUE","Reference RT":"12.94","Reference m/z":"873.7066","Formula":"C47H95N2O6P","Ontology":"SM","INCHIKEY":"QEDPUVGSSDPBMD-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"94","Reverse dot product":"86.2","Fragment presence %":"100","S/N average":"100042.29","Spectrum reference file name":"210226_Hamze_MM-1835_095n","MS1 isotopic spectrum":"873.70648:947275008 874.70983:810933760 875.71319:255354112","MS/MS spectrum":"122.98546:268368 168.04218:5565739 178.26753:159683 449.31406:121293 710.58887:46798 716.2561:25383 727.20605:24630 728.59772:174354 754.61322:53328 775.39807:51599 792.93817:41719 799.66943:34207548 814.63843:36513 825.09845:35545 873.71436:26964"},{"Metabolite":"SM 42:2;2O|SM 18:1;2O/24:1","Alignment ID":"3810","Average Rt(min)":"13.322","Average Mz":"871.68964","Adduct type":"[M+CH3COO]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"12.56","Reference m/z":"871.69098","Formula":"C47H93N2O6P","Ontology":"SM","INCHIKEY":"ZJDDNEXGXYLHDF-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"94","Reverse dot product":"84.7","Fragment presence %":"100","S/N average":"82569.38","Spectrum reference file name":"210226_Hamze_MM-1835_122n","MS1 isotopic spectrum":"871.69165:601445312 872.695:519037408 873.69836:158251456","MS/MS spectrum":"122.9854:131543 168.0421:3176931 178.27:28991 283.26584:12209 284.26663:12681 305.25037:40596 306.25491:28819 327.23709:11577 449.31384:63919 708.57935:18204 726.57446:109419 752.59155:27658 756.37427:11297 797.65759:15957889 812.61969:13700 823.01538:12796"},{"Metabolite":"SM 42:2;3O","Alignment ID":"3947","Average Rt(min)":"12.957","Average Mz":"887.68652","Adduct type":"[M+CH3COO]-","Fill %":"0.669","MS/MS assigned":"TRUE","Reference RT":"10.75","Reference m/z":"887.68591","Formula":"C47H93N2O7P","Ontology":"SM","INCHIKEY":"JTHVSQGSSKGCKV-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCC=CCCC)CCCCCCCCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"82.4","Reverse dot product":"83.6","Fragment presence %":"100","S/N average":"298","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"887.68658:3027150 888.68993:3513413 889.69329:9145782","MS/MS spectrum":"101.62295:5025 116.42574:6588 122.98399:10276 146.1288:6951 168.04218:439939 178.24707:21588 241.01291:11544 813.64075:769847 887.54681:15379"},{"Metabolite":"SM 42:3;2O|SM 18:1;2O/24:2","Alignment ID":"3794","Average Rt(min)":"12.597","Average Mz":"869.67523","Adduct type":"[M+CH3COO]-","Fill %":"0.986","MS/MS assigned":"TRUE","Reference RT":"11.28","Reference m/z":"869.67529","Formula":"C47H91N2O6P","Ontology":"SM","INCHIKEY":"PNUJDINUZYVQHI-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCC=CCC=CCCCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"93.4","Reverse dot product":"84.7","Fragment presence %":"100","S/N average":"12166.21","Spectrum reference file name":"210226_Hamze_MM-1835_056n","MS1 isotopic spectrum":"869.67517:71104688 870.67852:76491184 871.68188:23174074","MS/MS spectrum":"122.98553:20397 144.63078:7148 168.04227:723339 176.48454:8769 178.27017:100933 194.64429:7077 218.32271:8343 259.44208:8990 281.24988:8554 283.26611:14944 303.23367:30988 304.23965:22409 393.08719:9729 449.31427:15051 485.56564:9181 724.56073:21108 795.63049:3337920"},{"Metabolite":"SM 42:4;2O|SM 20:2;2O/22:2","Alignment ID":"3771","Average Rt(min)":"11.975","Average Mz":"867.65717","Adduct type":"[M+CH3COO]-","Fill %":"0.972","MS/MS assigned":"TRUE","Reference RT":"10.34","Reference m/z":"867.65973","Formula":"C47H89N2O6P","Ontology":"SM","INCHIKEY":"BMVGSQDSTQXFOM-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCC=CCCCCCCCCCCC)CCCCCCCCCCCC=CCC=CCCCCC","Annotation tag (VS1.0)":"410","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"50.6","Reverse dot product":"82","Fragment presence %":"100","S/N average":"170.87","Spectrum reference file name":"210226_Hamze_MM-1835_116n","MS1 isotopic spectrum":"867.65778:2489602 868.66113:2125258 869.66449:852555","MS/MS spectrum":"100.99564:6220 128.45369:6759 152.99419:143870 168.04224:96248 178.24715:17508 186.83156:7936 252.17276:8618 252.86211:10032 283.26605:9201 303.23361:76226 304.23392:43643 339.32697:213676 339.54852:8368 340.32916:195159 440.24039:9878 475.32224:47361 476.32523:42851 493.33157:35786 494.3331:26708 780.57068:12184 793.61011:391952"},{"Metabolite":"SM 43:0;3O","Alignment ID":"4109","Average Rt(min)":"14.308","Average Mz":"905.7312","Adduct type":"[M+CH3COO]-","Fill %":"0.552","MS/MS assigned":"TRUE","Reference RT":"12.99","Reference m/z":"905.73279","Formula":"C48H99N2O7P","Ontology":"SM","INCHIKEY":"XVJZOQAHSDPEPF-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"82.2","Reverse dot product":"85.5","Fragment presence %":"100","S/N average":"58.7","Spectrum reference file name":"210226_Hamze_MM-1835_123n","MS1 isotopic spectrum":"905.73358:828020 906.73693:854146 907.74029:268428","MS/MS spectrum":"105.70147:6288 151.73602:6702 168.0421:42305 171.26147:8366 289.01324:10278 831.70276:122054"},{"Metabolite":"SM 44:1;2O","Alignment ID":"4071","Average Rt(min)":"15.407","Average Mz":"901.73706","Adduct type":"[M+CH3COO]-","Fill %":"0.545","MS/MS assigned":"TRUE","Reference RT":"13.28","Reference m/z":"901.73792","Formula":"C49H99N2O6P","Ontology":"SM","INCHIKEY":"SXGHCCZSIHHYGT-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"87","Reverse dot product":"91.8","Fragment presence %":"100","S/N average":"615.79","Spectrum reference file name":"210226_Hamze_MM-1835_074n","MS1 isotopic spectrum":"901.7373:3556345 902.74065:3257973 903.74401:896073","MS/MS spectrum":"127.95023:6393 132.14534:8248 137.688:7174 153.7794:7368 163.78166:7429 167.90662:7706 168.04218:56032 178.27264:27776 239.56122:9282 308.32559:8825 344.16309:8596 827.7002:343912 901.7395:11751"},{"Metabolite":"SM 44:1;3O","Alignment ID":"4212","Average Rt(min)":"13.795","Average Mz":"917.73376","Adduct type":"[M+CH3COO]-","Fill %":"0.869","MS/MS assigned":"TRUE","Reference RT":"12.94","Reference m/z":"917.73279","Formula":"C49H99N2O7P","Ontology":"SM","INCHIKEY":"NDCVRRIBLPMMOB-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCC=CCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"100","Dot product":"78.3","Reverse dot product":"85.2","Fragment presence %":"100","S/N average":"45.81","Spectrum reference file name":"210226_Hamze_MM-1835_081n","MS1 isotopic spectrum":"917.73376:2652454 918.73711:2344656 919.74047:876357","MS/MS spectrum":"122.98546:8271 168.04218:231185 169.74127:7500 172.13843:8455 172.58061:7502 178.27008:61934 192.39258:7239 228.85458:7914 273.79965:9097 401.19305:10864 627.74664:9614 732.39221:8870 843.70343:596582 900.4906:10219 905.17993:9870"},{"Metabolite":"SM 46:2;2O","Alignment ID":"4295","Average Rt(min)":"14.867","Average Mz":"927.75568","Adduct type":"[M+CH3COO]-","Fill %":"0.566","MS/MS assigned":"TRUE","Reference RT":"13.27","Reference m/z":"927.7536","Formula":"C51H101N2O6P","Ontology":"SM","INCHIKEY":"SKBMMZIFJTVUIJ-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCC=CCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"90.7","RT similarity":"100","Dot product":"71.8","Reverse dot product":"84.4","Fragment presence %":"90","S/N average":"12.41","Spectrum reference file name":"210226_Hamze_MM-1835_033n","MS1 isotopic spectrum":"927.75232:201118 928.75567:178714 929.75903:70305","MS/MS spectrum":"91.8557:4591 99.0623:5268 141.01715:9322 150.41237:7193 152.49763:7605 168.04227:16459 403.51562:8986 773.77826:13853 853.71198:68368"},{"Metabolite":"SM 54:2;3O","Alignment ID":"5104","Average Rt(min)":"18.037","Average Mz":"1055.87061","Adduct type":"[M+CH3COO]-","Fill %":"0.731","MS/MS assigned":"TRUE","Reference RT":"13.69","Reference m/z":"1055.87366","Formula":"C59H117N2O7P","Ontology":"SM","INCHIKEY":"HGSRAQVPHXBGGV-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCC=CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"21.6","Reverse dot product":"83.7","Fragment presence %":"100","S/N average":"72","Spectrum reference file name":"210226_Hamze_MM-1835_041n","MS1 isotopic spectrum":"1055.87292:368491 1056.87627:385785 1057.87963:148454","MS/MS spectrum":"97.36522:5899 113.25494:5633 143.3231:7187 144.25615:7970 147.47525:7691 149.69205:7322 168.04228:14710 178.27274:36423 213.77124:9556 233.54614:10472 237.69327:8870 255.23157:20339 263.00046:9183 697.57159:21807 725.58795:29455 981.83545:23321 1009.97504:11303"},{"Metabolite":"SM 55:2;3O","Alignment ID":"5152","Average Rt(min)":"18.449","Average Mz":"1069.88696","Adduct type":"[M+CH3COO]-","Fill %":"0.717","MS/MS assigned":"TRUE","Reference RT":"13.85","Reference m/z":"1069.88928","Formula":"C60H119N2O7P","Ontology":"SM","INCHIKEY":"CKRDIWSDFVTYLM-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCC=CCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"20.9","Reverse dot product":"84.3","Fragment presence %":"100","S/N average":"64.04","Spectrum reference file name":"210226_Hamze_MM-1835_061n","MS1 isotopic spectrum":"1069.88794:302646 1070.89129:353415 1071.89465:149211","MS/MS spectrum":"98.36939:5236 112.52346:6248 116.44741:6767 168.04228:15648 176.09251:8506 178.26764:22422 197.90062:9069 245.44412:8064 255.23158:21858 376.28278:10395 739.61749:55127 752.52588:11584 863.73566:10680 995.85748:27780 1069.93311:12960"},{"Metabolite":"SM 56:3;3O","Alignment ID":"5184","Average Rt(min)":"18.152","Average Mz":"1081.88855","Adduct type":"[M+CH3COO]-","Fill %":"0.641","MS/MS assigned":"TRUE","Reference RT":"13.76","Reference m/z":"1081.88928","Formula":"C61H119N2O7P","Ontology":"SM","INCHIKEY":"PZHRPYANCWJODK-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCC=CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCC=CCC=CCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"24.3","Reverse dot product":"84.1","Fragment presence %":"100","S/N average":"173.12","Spectrum reference file name":"210226_Hamze_MM-1835_052n","MS1 isotopic spectrum":"1081.88904:241786 1082.89239:232703 1083.89575:84805","MS/MS spectrum":"94.29068:5168 98.87831:5300 112.44655:6779 133.50626:7023 135.57719:6545 168.04221:10794 178.24455:13736 204.13914:8402 226.98524:8234 281.24979:16624 560.05298:9440 638.69568:9466 689.91998:10594 725.58759:23698 1007.84131:18059"},{"Metabolite":"SM 57:2;3O","Alignment ID":"5244","Average Rt(min)":"19.234","Average Mz":"1097.9209","Adduct type":"[M+CH3COO]-","Fill %":"0.572","MS/MS assigned":"TRUE","Reference RT":"13.92","Reference m/z":"1097.92065","Formula":"C62H123N2O7P","Ontology":"SM","INCHIKEY":"ONTLZBZNCVSWAU-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCC=CCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"24.2","Reverse dot product":"85","Fragment presence %":"100","S/N average":"196.55","Spectrum reference file name":"210226_Hamze_MM-1835_042n","MS1 isotopic spectrum":"1097.92188:1046040 1098.92522:925080 1099.92859:544775","MS/MS spectrum":"97.56359:5640 98.32751:4829 144.86641:6878 167.91841:7029 168.0423:9572 178.27277:23762 190.76706:7815 255.2316:17105 292.73132:10642 441.61243:12373 591.05408:12149 767.64465:37189 1023.86737:20353"},{"Metabolite":"SM 57:3;3O","Alignment ID":"5239","Average Rt(min)":"18.731","Average Mz":"1095.90222","Adduct type":"[M+CH3COO]-","Fill %":"0.655","MS/MS assigned":"TRUE","Reference RT":"13.82","Reference m/z":"1095.90503","Formula":"C62H121N2O7P","Ontology":"SM","INCHIKEY":"BHFJUJOTSHKFSY-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCC=CCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCC=CCC=CCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"29.2","Reverse dot product":"81.9","Fragment presence %":"100","S/N average":"85.41","Spectrum reference file name":"210226_Hamze_MM-1835_141n","MS1 isotopic spectrum":"1095.90259:541685 1096.90594:500994 1097.9093:179653","MS/MS spectrum":"92.74969:4279 97.31773:4975 105.54651:6218 117.67392:6133 120.10392:7001 140.78902:7303 157.99181:8072 168.04219:31402 255.23143:22710 264.58276:7963 765.63855:69429 869.98303:11247 1021.86462:35277"},{"Metabolite":"SM 58:4;3O","Alignment ID":"5272","Average Rt(min)":"18.226","Average Mz":"1107.90515","Adduct type":"[M+CH3COO]-","Fill %":"0.607","MS/MS assigned":"TRUE","Reference RT":"13.74","Reference m/z":"1107.90503","Formula":"C63H121N2O7P","Ontology":"SM","INCHIKEY":"NGIMTIUECGZVAA-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCC=CCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC=CCC=CCC=CCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"17.4","Reverse dot product":"83.1","Fragment presence %":"100","S/N average":"260.01","Spectrum reference file name":"210226_Hamze_MM-1835_074n","MS1 isotopic spectrum":"1107.90515:1061921 1108.9085:1142296 1109.91186:470634","MS/MS spectrum":"113.9909:5744 115.93231:5927 168.04218:25270 172.37633:7322 247.21228:7563 255.23143:22131 281.24973:26733 421.64056:9920 706.39752:11249 751.46265:10500 751.61749:49865 777.62842:52915 779.63464:30718 1033.85876:34252 1085.73706:11075"},{"Metabolite":"SM 59:2;3O","Alignment ID":"5323","Average Rt(min)":"19.944","Average Mz":"1125.95532","Adduct type":"[M+CH3COO]-","Fill %":"0.621","MS/MS assigned":"TRUE","Reference RT":"14.09","Reference m/z":"1125.9519","Formula":"C64H127N2O7P","Ontology":"SM","INCHIKEY":"WXZSEQLJUNIVLP-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCC=CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCC=CCCCCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.8","Dot product":"21.4","Reverse dot product":"84.6","Fragment presence %":"100","S/N average":"85.66","Spectrum reference file name":"210226_Hamze_MM-1835_114n","MS1 isotopic spectrum":"1125.95044:430736 1126.95379:842540 1127.95715:392965","MS/MS spectrum":"109.79932:5657 110.13857:6469 112.60422:5826 128.38026:6599 153.75899:6975 162.31532:6860 168.04225:11980 204.15486:7752 227.35661:8385 283.26608:22110 415.03558:8732 536.67645:10452 767.64441:43505 773.33923:11270 795.67859:13837 1051.90222:22472"},{"Metabolite":"SM 59:4;3O","Alignment ID":"5312","Average Rt(min)":"18.548","Average Mz":"1121.91943","Adduct type":"[M+CH3COO]-","Fill %":"0.697","MS/MS assigned":"TRUE","Reference RT":"13.81","Reference m/z":"1121.92065","Formula":"C64H123N2O7P","Ontology":"SM","INCHIKEY":"NGZJVLITBCGKGO-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C(O)CCCC=CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC=CCC=CCC=CCCCCCCC","Annotation tag (VS1.0)":"420","RT matched":"TRUE","m/z matched":"TRUE","MS/MS matched":"TRUE","Comment":"Unit nmol_per_mg_tissue by alignment ID=3185","Manually modified for quantification":"TRUE","Manually modified for annotation":"FALSE","Isotope tracking parent ID":"null","Isotope tracking weight number":"null","Total score":"100","RT similarity":"99.9","Dot product":"18.9","Reverse dot product":"81.2","Fragment presence %":"100","S/N average":"88.65","Spectrum reference file name":"210226_Hamze_MM-1835_059n","MS1 isotopic spectrum":"1121.92017:130632 1122.92352:191252 1123.92688:86172","MS/MS spectrum":"90.29819:4782 97.80303:4705 99.83:4950 103.92847:5912 106.78802:5446 120.53761:6784 148.69612:6484 150.26196:7330 162.91873:6874 168.04227:12074 213.82829:8529 253.39401:8834 281.24988:19037 636.75934:10272 765.63892:21287 959.49786:10482 1047.88464:11928"}]
}

}