{ "METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002826","ANALYSIS_ID":"AN004610","VERSION":"1","CREATED_ON":"August 22, 2023, 10:59 pm"}, "PROJECT":{"PROJECT_TITLE":"Cold-stimulated brown adipose tissue activation is related to changes in serum metabolites relevant to NAD+ metabolism in humans","PROJECT_SUMMARY":"Cold-induced brown adipose tissue (BAT) activation is considered to improve metabolic health. In murine BAT, cold increases the fundamental molecule for mitochondrial function, nicotinamide adenine dinucleotide (NAD+), but limited knowledge on NAD+ metabolism during cold in human BAT metabolism exists. We show that cold increases the serum metabolites of the NAD+ salvage pathway (nicotinamide and 1-methylnicotinamide) in humans. Additionally, individuals with coldstimulated BAT activation have decreased levels of metabolites from the de novo NAD+ biosynthesis pathway (tryptophan, kynurenine). Serum nicotinamide correlates positively with cold-stimulated BAT activation, whereas tryptophan and kynurenine correlates negatively. Furthermore, the expression of genes involved in NAD+ biosynthesis in BAT are related to markers of metabolic health. Our data indicate that cold increases serum tryptophan conversion to nicotinamide to be further utilized by BAT. We conclude that NAD+ metabolism is activated upon cold in humans and probably regulated in a coordinated fashion by several tissues.","INSTITUTE":"University of Turku","LAST_NAME":"Virtanen","FIRST_NAME":"Kirsi A","ADDRESS":"Turku PET Centre, Turku University Hospital, Turku, Finland","EMAIL":"kirsi.virtanen@utu.fi","PHONE":"+358-040-7626564"}, "STUDY":{"STUDY_TITLE":"Cold-stimulated brown adipose tissue activation is related to changes in serum metabolites relevant to NAD+ metabolism in humans","STUDY_SUMMARY":"Cold-induced brown adipose tissue (BAT) activation is considered to improve metabolic health. In murine BAT, cold increases the fundamental molecule for mitochondrial function, nicotinamide adenine dinucleotide (NAD+), but limited knowledge on NAD+ metabolism during cold in human BAT metabolism exists. We show that cold increases the serum metabolites of the NAD+ salvage pathway (nicotinamide and 1-methylnicotinamide) in humans. Additionally, individuals with coldstimulated BAT activation have decreased levels of metabolites from the de novo NAD+ biosynthesis pathway (tryptophan, kynurenine). Serum nicotinamide correlates positively with cold-stimulated BAT activation, whereas tryptophan and kynurenine correlates negatively. Furthermore, the expression of genes involved in NAD+ biosynthesis in BAT are related to markers of metabolic health. Our data indicate that cold increases serum tryptophan conversion to nicotinamide to be further utilized by BAT. We conclude that NAD+ metabolism is activated upon cold in humans and probably regulated in a coordinated fashion by several tissues.","INSTITUTE":"University of Turku","LAST_NAME":"Virtanen","FIRST_NAME":"Kirsi","ADDRESS":"Turku PET Centre, Turku University Hospital, Turku, Finland","EMAIL":"kirsi.virtanen@utu.fi","PHONE":"+358-40-7626564"}, "SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"}, "SUBJECT_SAMPLE_FACTORS":[ { "Subject ID":"-", "Sample ID":"QC1", "Factors":{"Treatment":"QC"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_010","RAW_FILE_NAME":"190128MR_PET_RP_pos_010","RAW_FILE_NAME":"190122MR_PET_RP_neg_016","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_010"} }, { "Subject ID":"-", "Sample ID":"QC autoMSMS 10V_1", "Factors":{"Treatment":"QC"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_011","RAW_FILE_NAME":"190128MR_PET_RP_pos_011","RAW_FILE_NAME":"190122MR_PET_RP_neg_017","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_011"} }, { "Subject ID":"-", "Sample ID":"QC autoMSMS 20V_1", "Factors":{"Treatment":"QC"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_012","RAW_FILE_NAME":"190128MR_PET_RP_pos_012","RAW_FILE_NAME":"190122MR_PET_RP_neg_018","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_012"} }, { "Subject ID":"-", "Sample ID":"QC autoMSMS 40V_1", "Factors":{"Treatment":"QC"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_013","RAW_FILE_NAME":"190128MR_PET_RP_pos_013","RAW_FILE_NAME":"190122MR_PET_RP_neg_019","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_013"} }, { "Subject ID":"-", "Sample ID":"QC2", "Factors":{"Treatment":"QC"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_014","RAW_FILE_NAME":"190128MR_PET_RP_pos_014","RAW_FILE_NAME":"190122MR_PET_RP_neg_020","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_014"} }, { "Subject ID":"-", "Sample ID":"1", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_015","RAW_FILE_NAME":"190128MR_PET_RP_pos_015","RAW_FILE_NAME":"190122MR_PET_RP_neg_021","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_015"} }, { "Subject ID":"-", "Sample ID":"3", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_017","RAW_FILE_NAME":"190128MR_PET_RP_pos_017","RAW_FILE_NAME":"190122MR_PET_RP_neg_023","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_017"} }, { "Subject ID":"-", "Sample ID":"4", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_018","RAW_FILE_NAME":"190128MR_PET_RP_pos_018","RAW_FILE_NAME":"190122MR_PET_RP_neg_024","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_018"} }, { "Subject ID":"-", "Sample ID":"6", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_020","RAW_FILE_NAME":"190128MR_PET_RP_pos_020","RAW_FILE_NAME":"190122MR_PET_RP_neg_026","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_020"} }, { "Subject ID":"-", "Sample ID":"7", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_021","RAW_FILE_NAME":"190128MR_PET_RP_pos_021","RAW_FILE_NAME":"190122MR_PET_RP_neg_027","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_021"} }, { "Subject ID":"-", "Sample ID":"8", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_022","RAW_FILE_NAME":"190128MR_PET_RP_pos_022","RAW_FILE_NAME":"190122MR_PET_RP_neg_028","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_022"} }, { "Subject ID":"-", "Sample ID":"9", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_023","RAW_FILE_NAME":"190128MR_PET_RP_pos_023","RAW_FILE_NAME":"190122MR_PET_RP_neg_029","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_023"} }, { "Subject ID":"-", "Sample ID":"11", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_025","RAW_FILE_NAME":"190128MR_PET_RP_pos_025","RAW_FILE_NAME":"190122MR_PET_RP_neg_031","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_025"} }, { "Subject ID":"-", "Sample ID":"12", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_026","RAW_FILE_NAME":"190128MR_PET_RP_pos_026","RAW_FILE_NAME":"190122MR_PET_RP_neg_032","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_026"} }, { "Subject ID":"-", "Sample ID":"QC3", "Factors":{"Treatment":"QC"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_027","RAW_FILE_NAME":"190128MR_PET_RP_pos_027","RAW_FILE_NAME":"190122MR_PET_RP_neg_033","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_027"} }, { "Subject ID":"-", "Sample ID":"13", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_028","RAW_FILE_NAME":"190128MR_PET_RP_pos_028","RAW_FILE_NAME":"190122MR_PET_RP_neg_034","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_028"} }, { "Subject ID":"-", "Sample ID":"14", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_029","RAW_FILE_NAME":"190128MR_PET_RP_pos_029","RAW_FILE_NAME":"190122MR_PET_RP_neg_035","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_029"} }, { "Subject ID":"-", "Sample ID":"15", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_030","RAW_FILE_NAME":"190128MR_PET_RP_pos_030","RAW_FILE_NAME":"190122MR_PET_RP_neg_036","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_030"} }, { "Subject ID":"-", "Sample ID":"16", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_031","RAW_FILE_NAME":"190128MR_PET_RP_pos_031","RAW_FILE_NAME":"190122MR_PET_RP_neg_037","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_031"} }, { "Subject ID":"-", "Sample ID":"17", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_032","RAW_FILE_NAME":"190128MR_PET_RP_pos_032","RAW_FILE_NAME":"190122MR_PET_RP_neg_038","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_032"} }, { "Subject ID":"-", "Sample ID":"18", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_033","RAW_FILE_NAME":"190128MR_PET_RP_pos_033","RAW_FILE_NAME":"190122MR_PET_RP_neg_039","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_033"} }, { "Subject ID":"-", "Sample ID":"19", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_034","RAW_FILE_NAME":"190128MR_PET_RP_pos_034","RAW_FILE_NAME":"190122MR_PET_RP_neg_040","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_034"} }, { "Subject ID":"-", "Sample ID":"20", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_035","RAW_FILE_NAME":"190128MR_PET_RP_pos_035","RAW_FILE_NAME":"190122MR_PET_RP_neg_041","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_035"} }, { "Subject ID":"-", "Sample ID":"21", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_036","RAW_FILE_NAME":"190128MR_PET_RP_pos_036","RAW_FILE_NAME":"190122MR_PET_RP_neg_042","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_036"} }, { "Subject ID":"-", "Sample ID":"22", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_037","RAW_FILE_NAME":"190128MR_PET_RP_pos_037","RAW_FILE_NAME":"190122MR_PET_RP_neg_043","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_037"} }, { "Subject ID":"-", "Sample ID":"23", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_038","RAW_FILE_NAME":"190128MR_PET_RP_pos_038","RAW_FILE_NAME":"190122MR_PET_RP_neg_044","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_038"} }, { "Subject ID":"-", "Sample ID":"24", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_039","RAW_FILE_NAME":"190128MR_PET_RP_pos_039","RAW_FILE_NAME":"190122MR_PET_RP_neg_045","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_039"} }, { "Subject ID":"-", "Sample ID":"QC4", "Factors":{"Treatment":"QC"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_040","RAW_FILE_NAME":"190128MR_PET_RP_pos_040","RAW_FILE_NAME":"190122MR_PET_RP_neg_046","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_040"} }, { "Subject ID":"-", "Sample ID":"25", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_041","RAW_FILE_NAME":"190128MR_PET_RP_pos_041","RAW_FILE_NAME":"190122MR_PET_RP_neg_047","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_041"} }, { "Subject ID":"-", "Sample ID":"26", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_042","RAW_FILE_NAME":"190128MR_PET_RP_pos_042","RAW_FILE_NAME":"190122MR_PET_RP_neg_048","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_042"} }, { "Subject ID":"-", "Sample ID":"27", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_043","RAW_FILE_NAME":"190128MR_PET_RP_pos_043","RAW_FILE_NAME":"190122MR_PET_RP_neg_049","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_043"} }, { "Subject ID":"-", "Sample ID":"28", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_044","RAW_FILE_NAME":"190128MR_PET_RP_pos_044","RAW_FILE_NAME":"190122MR_PET_RP_neg_050","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_044"} }, { "Subject ID":"-", "Sample ID":"29", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_045","RAW_FILE_NAME":"190128MR_PET_RP_pos_045","RAW_FILE_NAME":"190122MR_PET_RP_neg_051","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_045"} }, { "Subject ID":"-", "Sample ID":"30", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_046","RAW_FILE_NAME":"190128MR_PET_RP_pos_046","RAW_FILE_NAME":"190122MR_PET_RP_neg_052","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_046"} }, { "Subject ID":"-", "Sample ID":"31", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_047","RAW_FILE_NAME":"190128MR_PET_RP_pos_047","RAW_FILE_NAME":"190122MR_PET_RP_neg_053","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_047"} }, { "Subject ID":"-", "Sample ID":"32", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_048","RAW_FILE_NAME":"190128MR_PET_RP_pos_048","RAW_FILE_NAME":"190122MR_PET_RP_neg_054","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_048"} }, { "Subject ID":"-", "Sample ID":"33", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_049","RAW_FILE_NAME":"190128MR_PET_RP_pos_049","RAW_FILE_NAME":"190122MR_PET_RP_neg_055","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_049"} }, { "Subject ID":"-", "Sample ID":"34", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_050","RAW_FILE_NAME":"190128MR_PET_RP_pos_050","RAW_FILE_NAME":"190122MR_PET_RP_neg_056","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_050"} }, { "Subject ID":"-", "Sample ID":"35", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_051","RAW_FILE_NAME":"190128MR_PET_RP_pos_051","RAW_FILE_NAME":"190122MR_PET_RP_neg_057","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_051"} }, { "Subject ID":"-", "Sample ID":"36", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_052","RAW_FILE_NAME":"190128MR_PET_RP_pos_052","RAW_FILE_NAME":"190122MR_PET_RP_neg_058","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_052"} }, { "Subject ID":"-", "Sample ID":"QC5", "Factors":{"Treatment":"QC"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_053","RAW_FILE_NAME":"190128MR_PET_RP_pos_053","RAW_FILE_NAME":"190122MR_PET_RP_neg_059","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_053"} }, { "Subject ID":"-", "Sample ID":"37", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_054","RAW_FILE_NAME":"190128MR_PET_RP_pos_054","RAW_FILE_NAME":"190122MR_PET_RP_neg_060","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_054"} }, { "Subject ID":"-", "Sample ID":"38", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_055","RAW_FILE_NAME":"190128MR_PET_RP_pos_055","RAW_FILE_NAME":"190122MR_PET_RP_neg_061","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_055"} }, { "Subject ID":"-", "Sample ID":"39", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_056","RAW_FILE_NAME":"190128MR_PET_RP_pos_056","RAW_FILE_NAME":"190122MR_PET_RP_neg_062","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_056"} }, { "Subject ID":"-", "Sample ID":"40", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_057","RAW_FILE_NAME":"190128MR_PET_RP_pos_057","RAW_FILE_NAME":"190122MR_PET_RP_neg_063","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_057"} }, { "Subject ID":"-", "Sample ID":"41", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_058","RAW_FILE_NAME":"190128MR_PET_RP_pos_058","RAW_FILE_NAME":"190122MR_PET_RP_neg_064","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_058"} }, { "Subject ID":"-", "Sample ID":"42", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_059","RAW_FILE_NAME":"190128MR_PET_RP_pos_059","RAW_FILE_NAME":"190122MR_PET_RP_neg_065","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_059"} }, { "Subject ID":"-", "Sample ID":"43", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_060","RAW_FILE_NAME":"190128MR_PET_RP_pos_060","RAW_FILE_NAME":"190122MR_PET_RP_neg_066","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_060"} }, { "Subject ID":"-", "Sample ID":"45", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_062","RAW_FILE_NAME":"190128MR_PET_RP_pos_062","RAW_FILE_NAME":"190122MR_PET_RP_neg_068","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_062"} }, { "Subject ID":"-", "Sample ID":"46", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_063","RAW_FILE_NAME":"190128MR_PET_RP_pos_063","RAW_FILE_NAME":"190122MR_PET_RP_neg_069","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_063"} }, { "Subject ID":"-", "Sample ID":"QC6", "Factors":{"Treatment":"QC"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_066","RAW_FILE_NAME":"190128MR_PET_RP_pos_066","RAW_FILE_NAME":"190122MR_PET_RP_neg_072","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_066"} }, { "Subject ID":"-", "Sample ID":"49", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_067","RAW_FILE_NAME":"190128MR_PET_RP_pos_067","RAW_FILE_NAME":"190122MR_PET_RP_neg_073","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_067"} }, { "Subject ID":"-", "Sample ID":"50", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_068","RAW_FILE_NAME":"190128MR_PET_RP_pos_068","RAW_FILE_NAME":"190122MR_PET_RP_neg_074","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_068"} }, { "Subject ID":"-", "Sample ID":"51", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_069","RAW_FILE_NAME":"190128MR_PET_RP_pos_069","RAW_FILE_NAME":"190122MR_PET_RP_neg_075","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_069"} }, { "Subject ID":"-", "Sample ID":"52", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_070","RAW_FILE_NAME":"190128MR_PET_RP_pos_070","RAW_FILE_NAME":"190122MR_PET_RP_neg_076","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_070"} }, { "Subject ID":"-", "Sample ID":"53", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_071","RAW_FILE_NAME":"190128MR_PET_RP_pos_071","RAW_FILE_NAME":"190122MR_PET_RP_neg_077","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_071"} }, { "Subject ID":"-", "Sample ID":"54", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_072","RAW_FILE_NAME":"190128MR_PET_RP_pos_072","RAW_FILE_NAME":"190122MR_PET_RP_neg_078","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_072"} }, { "Subject ID":"-", "Sample ID":"55", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_073","RAW_FILE_NAME":"190128MR_PET_RP_pos_073","RAW_FILE_NAME":"190122MR_PET_RP_neg_079","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_073"} }, { "Subject ID":"-", "Sample ID":"57", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_075","RAW_FILE_NAME":"190128MR_PET_RP_pos_075","RAW_FILE_NAME":"190122MR_PET_RP_neg_081","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_075"} }, { "Subject ID":"-", "Sample ID":"58", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_076","RAW_FILE_NAME":"190128MR_PET_RP_pos_076","RAW_FILE_NAME":"190122MR_PET_RP_neg_082","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_076"} }, { "Subject ID":"-", "Sample ID":"59", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_077","RAW_FILE_NAME":"190128MR_PET_RP_pos_077","RAW_FILE_NAME":"190122MR_PET_RP_neg_083","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_077"} }, { "Subject ID":"-", "Sample ID":"60", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_078","RAW_FILE_NAME":"190128MR_PET_RP_pos_078","RAW_FILE_NAME":"190122MR_PET_RP_neg_084","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_078"} }, { "Subject ID":"-", "Sample ID":"61", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_079","RAW_FILE_NAME":"190128MR_PET_RP_pos_079","RAW_FILE_NAME":"190122MR_PET_RP_neg_085","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_079"} }, { "Subject ID":"-", "Sample ID":"62", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_080","RAW_FILE_NAME":"190128MR_PET_RP_pos_080","RAW_FILE_NAME":"190122MR_PET_RP_neg_086","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_080"} }, { "Subject ID":"-", "Sample ID":"QC7", "Factors":{"Treatment":"QC"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_081","RAW_FILE_NAME":"190128MR_PET_RP_pos_081","RAW_FILE_NAME":"190122MR_PET_RP_neg_087","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_081"} }, { "Subject ID":"-", "Sample ID":"63", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_082","RAW_FILE_NAME":"190128MR_PET_RP_pos_082","RAW_FILE_NAME":"190122MR_PET_RP_neg_088","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_082"} }, { "Subject ID":"-", "Sample ID":"64", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_083","RAW_FILE_NAME":"190128MR_PET_RP_pos_083","RAW_FILE_NAME":"190122MR_PET_RP_neg_089","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_083"} }, { "Subject ID":"-", "Sample ID":"65", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_084","RAW_FILE_NAME":"190128MR_PET_RP_pos_084","RAW_FILE_NAME":"190122MR_PET_RP_neg_090","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_084"} }, { "Subject ID":"-", "Sample ID":"66", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_085","RAW_FILE_NAME":"190128MR_PET_RP_pos_085","RAW_FILE_NAME":"190122MR_PET_RP_neg_091","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_085"} }, { "Subject ID":"-", "Sample ID":"67", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_086","RAW_FILE_NAME":"190128MR_PET_RP_pos_086","RAW_FILE_NAME":"190122MR_PET_RP_neg_092","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_086"} }, { "Subject ID":"-", "Sample ID":"68", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_087","RAW_FILE_NAME":"190128MR_PET_RP_pos_087","RAW_FILE_NAME":"190122MR_PET_RP_neg_093","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_087"} }, { "Subject ID":"-", "Sample ID":"69", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_088","RAW_FILE_NAME":"190128MR_PET_RP_pos_088","RAW_FILE_NAME":"190122MR_PET_RP_neg_094","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_088"} }, { "Subject ID":"-", "Sample ID":"70", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_089","RAW_FILE_NAME":"190128MR_PET_RP_pos_089","RAW_FILE_NAME":"190122MR_PET_RP_neg_095","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_089"} }, { "Subject ID":"-", "Sample ID":"71", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_090","RAW_FILE_NAME":"190128MR_PET_RP_pos_090","RAW_FILE_NAME":"190122MR_PET_RP_neg_096","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_090"} }, { "Subject ID":"-", "Sample ID":"72", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_091","RAW_FILE_NAME":"190128MR_PET_RP_pos_091","RAW_FILE_NAME":"190122MR_PET_RP_neg_097","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_091"} }, { "Subject ID":"-", "Sample ID":"73", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_092","RAW_FILE_NAME":"190128MR_PET_RP_pos_092","RAW_FILE_NAME":"190122MR_PET_RP_neg_098","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_092"} }, { "Subject ID":"-", "Sample ID":"QC8", "Factors":{"Treatment":"QC"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_094","RAW_FILE_NAME":"190128MR_PET_RP_pos_094","RAW_FILE_NAME":"190122MR_PET_RP_neg_100","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_094"} }, { "Subject ID":"-", "Sample ID":"75", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_095","RAW_FILE_NAME":"190128MR_PET_RP_pos_095","RAW_FILE_NAME":"190122MR_PET_RP_neg_101","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_095"} }, { "Subject ID":"-", "Sample ID":"76", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_096","RAW_FILE_NAME":"190128MR_PET_RP_pos_096","RAW_FILE_NAME":"190122MR_PET_RP_neg_102","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_096"} }, { "Subject ID":"-", "Sample ID":"77", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_097","RAW_FILE_NAME":"190128MR_PET_RP_pos_097","RAW_FILE_NAME":"190122MR_PET_RP_neg_103","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_097"} }, { "Subject ID":"-", "Sample ID":"78", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_098","RAW_FILE_NAME":"190128MR_PET_RP_pos_098","RAW_FILE_NAME":"190122MR_PET_RP_neg_104","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_098"} }, { "Subject ID":"-", "Sample ID":"80", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_100","RAW_FILE_NAME":"190128MR_PET_RP_pos_100","RAW_FILE_NAME":"190122MR_PET_RP_neg_106","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_100"} }, { "Subject ID":"-", "Sample ID":"81", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_101","RAW_FILE_NAME":"190128MR_PET_RP_pos_101","RAW_FILE_NAME":"190122MR_PET_RP_neg_107","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_101"} }, { "Subject ID":"-", "Sample ID":"83", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_103","RAW_FILE_NAME":"190128MR_PET_RP_pos_103","RAW_FILE_NAME":"190122MR_PET_RP_neg_109","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_103"} }, { "Subject ID":"-", "Sample ID":"84", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_104","RAW_FILE_NAME":"190128MR_PET_RP_pos_104","RAW_FILE_NAME":"190122MR_PET_RP_neg_110","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_104"} }, { "Subject ID":"-", "Sample ID":"85", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_105","RAW_FILE_NAME":"190128MR_PET_RP_pos_105","RAW_FILE_NAME":"190122MR_PET_RP_neg_111","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_105"} }, { "Subject ID":"-", "Sample ID":"86", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_106","RAW_FILE_NAME":"190128MR_PET_RP_pos_106","RAW_FILE_NAME":"190122MR_PET_RP_neg_112","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_106"} }, { "Subject ID":"-", "Sample ID":"QC9", "Factors":{"Treatment":"QC"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_107","RAW_FILE_NAME":"190128MR_PET_RP_pos_107","RAW_FILE_NAME":"190122MR_PET_RP_neg_113","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_107"} }, { "Subject ID":"-", "Sample ID":"87", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_108","RAW_FILE_NAME":"190128MR_PET_RP_pos_108","RAW_FILE_NAME":"190122MR_PET_RP_neg_114","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_108"} }, { "Subject ID":"-", "Sample ID":"88", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_109","RAW_FILE_NAME":"190128MR_PET_RP_pos_109","RAW_FILE_NAME":"190122MR_PET_RP_neg_115","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_109"} }, { "Subject ID":"-", "Sample ID":"89", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_110","RAW_FILE_NAME":"190128MR_PET_RP_pos_110","RAW_FILE_NAME":"190122MR_PET_RP_neg_116","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_110"} }, { "Subject ID":"-", "Sample ID":"91", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_112","RAW_FILE_NAME":"190128MR_PET_RP_pos_112","RAW_FILE_NAME":"190122MR_PET_RP_neg_118","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_112"} }, { "Subject ID":"-", "Sample ID":"92", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_113","RAW_FILE_NAME":"190128MR_PET_RP_pos_113","RAW_FILE_NAME":"190122MR_PET_RP_neg_119","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_113"} }, { "Subject ID":"-", "Sample ID":"93", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_114","RAW_FILE_NAME":"190128MR_PET_RP_pos_114","RAW_FILE_NAME":"190122MR_PET_RP_neg_120","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_114"} }, { "Subject ID":"-", "Sample ID":"94", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_115","RAW_FILE_NAME":"190128MR_PET_RP_pos_115","RAW_FILE_NAME":"190122MR_PET_RP_neg_121","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_115"} }, { "Subject ID":"-", "Sample ID":"95", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_116","RAW_FILE_NAME":"190128MR_PET_RP_pos_116","RAW_FILE_NAME":"190122MR_PET_RP_neg_122","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_116"} }, { "Subject ID":"-", "Sample ID":"96", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_117","RAW_FILE_NAME":"190128MR_PET_RP_pos_117","RAW_FILE_NAME":"190122MR_PET_RP_neg_123","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_117"} }, { "Subject ID":"-", "Sample ID":"97", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_118","RAW_FILE_NAME":"190128MR_PET_RP_pos_118","RAW_FILE_NAME":"190122MR_PET_RP_neg_124","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_118"} }, { "Subject ID":"-", "Sample ID":"98", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_119","RAW_FILE_NAME":"190128MR_PET_RP_pos_119","RAW_FILE_NAME":"190122MR_PET_RP_neg_125","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_119"} }, { "Subject ID":"-", "Sample ID":"99", "Factors":{"Treatment":"cold"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_120","RAW_FILE_NAME":"190128MR_PET_RP_pos_120","RAW_FILE_NAME":"190122MR_PET_RP_neg_126","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_120"} }, { "Subject ID":"-", "Sample ID":"100", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_121","RAW_FILE_NAME":"190128MR_PET_RP_pos_121","RAW_FILE_NAME":"190122MR_PET_RP_neg_127","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_121"} }, { "Subject ID":"-", "Sample ID":"101", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_122","RAW_FILE_NAME":"190128MR_PET_RP_pos_122","RAW_FILE_NAME":"190122MR_PET_RP_neg_128","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_122"} }, { "Subject ID":"-", "Sample ID":"102", "Factors":{"Treatment":"warm"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_123","RAW_FILE_NAME":"190128MR_PET_RP_pos_123","RAW_FILE_NAME":"190122MR_PET_RP_neg_129","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_123"} }, { "Subject ID":"-", "Sample ID":"QC10", "Factors":{"Treatment":"QC"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_124","RAW_FILE_NAME":"190128MR_PET_RP_pos_124","RAW_FILE_NAME":"190122MR_PET_RP_neg_130","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_124"} }, { "Subject ID":"-", "Sample ID":"QC autoMSMS 10V_2", "Factors":{"Treatment":"QC"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_125","RAW_FILE_NAME":"190128MR_PET_RP_pos_125","RAW_FILE_NAME":"190122MR_PET_RP_neg_131","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_125"} }, { "Subject ID":"-", "Sample ID":"QC autoMSMS 20V_2", "Factors":{"Treatment":"QC"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_126","RAW_FILE_NAME":"190128MR_PET_RP_pos_126","RAW_FILE_NAME":"190122MR_PET_RP_neg_132","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_126"} }, { "Subject ID":"-", "Sample ID":"QC autoMSMS 40V_2", "Factors":{"Treatment":"QC"}, "Additional sample data":{"RAW_FILE_NAME":"190201MR_PET_Hilic_neg_127","RAW_FILE_NAME":"190128MR_PET_RP_pos_127","RAW_FILE_NAME":"190122MR_PET_RP_neg_133","RAW_FILE_NAME":"190130MR_PET_Hilic_pos_127"} } ], "COLLECTION":{"COLLECTION_SUMMARY":"Blood samples were either taken during the exposure to room temperature or during cold (subsequent to 2 hours of personalised cooling). More details are in the manuscript.","SAMPLE_TYPE":"Blood (serum)","STORAGE_CONDITIONS":"-80℃"}, "TREATMENT":{"TREATMENT_SUMMARY":"The exposure to cold for 2 hours under cooling blankets using a personalised cooling protocol"}, "SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Fasting serum samples taken during the cold or RT exposures were stored at -80 °C and thawed in an ice water bath. Four hundred microliters of ice-cold acetonitrile (ACN) was pipetted to 96-well filter plates (Captiva ND Plate, 0.2 μm PP, Agilent Technologies, Santa Clara, CA, United States) after which 100 μL of plasma or quality control (QC) was added. The solution was mixed by pipetting up and down, filtrated by centrifugation (700 RCF, 4 °C, 5 min) and collected to a 96-1 well plate (96 deep well plate natural,Thermo Scientific). QC was serum sample prepared by pooling an aliquot from all analysed serum samples."}, "CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Agilent 1290","COLUMN_NAME":"Acquity UPLC BEH Amide column, 2.1 × 100 mm, 1.7 μm","SOLVENT_A":"50% acetonitrile with 20 mM ammonium formate and 0.25% formic acid, pH 3","SOLVENT_B":"90% acetonitrile with 20 mM ammonium formate, 0.25% formic acid, pH 3.","FLOW_GRADIENT":"0–2.5 min: 100% B, 2.5–10 min: 100% B → 0% B; 10–10.01 min: 0% B → 100% B; 10.01–12.5 min: 100% B.","FLOW_RATE":"0.6 mL/min.","COLUMN_TEMPERATURE":"45"}, "ANALYSIS":{"ANALYSIS_TYPE":"MS"}, "MS":{"INSTRUMENT_NAME":"Agilent 6540 QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"The data acquisition software was the MassHunter Acquisition B.05.01 (Agilent Technologies).","MS_RESULTS_FILE":"ST002826_AN004610_Results.txt UNITS:Area Has m/z:Yes Has RT:Yes RT units:Minutes"} }