{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000317","ANALYSIS_ID":"AN000504","VERSION":"1","CREATED_ON":"January 15, 2016, 12:53 pm"},

"PROJECT":{"PROJECT_TITLE":"Role of medium in bacterial growth","PROJECT_SUMMARY":"Experiment to test how different growth mediums affect bacterial growth. The supernatants of 17 strains of bacteria (10 grown in one medium and 7 grown in another medium) were submitted for metabolite analysis.","INSTITUTE":"University of California, Davis","DEPARTMENT":"Genome and Biomedical Sciences Facility","LABORATORY":"WCMC Metabolomics Core","LAST_NAME":"Fiehn","FIRST_NAME":"Oliver","ADDRESS":"1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis, CA 95616","EMAIL":"ofiehn@ucdavis.edu","PHONE":"(530) 754-8258","FUNDING_SOURCE":"U24DK097154"},

"STUDY":{"STUDY_TITLE":"Role of medium in bacterial growth","STUDY_SUMMARY":"Experiment to test how different growth mediums affect bacterial growth. The supernatants of 17 strains of bacteria (10 grown in one medium and 7 grown in another medium) were submitted for metabolite analysis.","INSTITUTE":"University of California, Davis","DEPARTMENT":"Genome and Biomedical Sciences Facility","LABORATORY":"WCMC Metabolomics Core","LAST_NAME":"Fiehn","FIRST_NAME":"Oliver","ADDRESS":"1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis, CA 95616","EMAIL":"ofiehn@ucdavis.edu","PHONE":"(530) 754-8258","NUM_GROUPS":"4","TOTAL_SUBJECTS":"38"},

"SUBJECT":{"SUBJECT_TYPE":"Cells","SUBJECT_SPECIES":"Bacteria"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"SA001",
"Factors":{"Media type":"E"},
"Additional sample data":{"Label":"E1"}
},
{
"Subject ID":"-",
"Sample ID":"SA002",
"Factors":{"Media type":"E"},
"Additional sample data":{"Label":"E2"}
},
{
"Subject ID":"-",
"Sample ID":"SA003",
"Factors":{"Media type":"E"},
"Additional sample data":{"Label":"E3"}
},
{
"Subject ID":"-",
"Sample ID":"SA004",
"Factors":{"Media type":"E"},
"Additional sample data":{"Label":"E4"}
},
{
"Subject ID":"-",
"Sample ID":"SA005",
"Factors":{"Media type":"E"},
"Additional sample data":{"Label":"E5"}
},
{
"Subject ID":"-",
"Sample ID":"SA006",
"Factors":{"Media type":"E"},
"Additional sample data":{"Label":"E6"}
},
{
"Subject ID":"-",
"Sample ID":"SA007",
"Factors":{"Media type":"E"},
"Additional sample data":{"Label":"E7"}
},
{
"Subject ID":"-",
"Sample ID":"SA008",
"Factors":{"Media type":"E"},
"Additional sample data":{"Label":"E8"}
},
{
"Subject ID":"-",
"Sample ID":"SA009",
"Factors":{"Media type":"E"},
"Additional sample data":{"Label":"E9"}
},
{
"Subject ID":"-",
"Sample ID":"SA010",
"Factors":{"Media type":"E"},
"Additional sample data":{"Label":"E10"}
},
{
"Subject ID":"-",
"Sample ID":"SA011",
"Factors":{"Media type":"E"},
"Additional sample data":{"Label":"E11"}
},
{
"Subject ID":"-",
"Sample ID":"SA012",
"Factors":{"Media type":"A"},
"Additional sample data":{"Label":"A1"}
},
{
"Subject ID":"-",
"Sample ID":"SA013",
"Factors":{"Media type":"A"},
"Additional sample data":{"Label":"A2"}
},
{
"Subject ID":"-",
"Sample ID":"SA014",
"Factors":{"Media type":"A"},
"Additional sample data":{"Label":"A3"}
},
{
"Subject ID":"-",
"Sample ID":"SA015",
"Factors":{"Media type":"A"},
"Additional sample data":{"Label":"A4"}
},
{
"Subject ID":"-",
"Sample ID":"SA016",
"Factors":{"Media type":"A"},
"Additional sample data":{"Label":"A5"}
},
{
"Subject ID":"-",
"Sample ID":"SA017",
"Factors":{"Media type":"A"},
"Additional sample data":{"Label":"A6"}
},
{
"Subject ID":"-",
"Sample ID":"SA018",
"Factors":{"Media type":"A"},
"Additional sample data":{"Label":"A7"}
},
{
"Subject ID":"-",
"Sample ID":"SA019",
"Factors":{"Media type":"A"},
"Additional sample data":{"Label":"A8"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"-","SAMPLE_TYPE":"Spent culture supernatant"},

"TREATMENT":{"TREATMENT_SUMMARY":"There are 2 treatments. Each sample is a supernatant from a different bacterial strain grown in culture.There are a total of 17 strains, 10 of which are grown in one type of medium and 7 are grown in another type of medium. Supernatants from the 2 types of media are also submitted for analysis.","TREATMENT_PROTOCOL_FILENAME":"StudyDesign_NadirMahmood_072914.pdf"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"1. After quenching the cells add 1 X 106 dried cells to 1.5 ml eppendorff tube. 2. Place the eppendorf tube with cells on dry ice for 20 minutes or til the cells are completely frozen and ice for 20 minutes, till they are completely thawed. Repeat this step twice. 3. Add 1ml of extraction solvent which has been pre-chilled using the ThermoElectron Neslab RTE 740 cooling bath set to -20°C. to the ependorff tube with cells. 4. Repeat step 2 twice with the extraction solvent. 5. Vortex the sample for 10s and shake for 5min at 4°C using the Orbital Mixing Chilling/Heating plate. Centrifuge samples for 2min at 14000 rcf using the centrifuge Eppendorf 5415 D. 6. Aliquot two 500µL portions of the supernatant. One for analysis and one for backup. Store one aliquot in the -20°C freezer as a backup. 7. Evaporate one 500µL aliquot of the sample in the Labconco Centrivap cold trap concentrator to complete dryness. 8. Submit to derivatization.","SAMPLEPREP_PROTOCOL_FILENAME":"SOP_Extraction_of_Cell_pellets.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"UPLC","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Unspecified","COLUMN_NAME":"Waters Acquity CSH C18 (100 x 2.1mm, 1.7um) 1.7um Pre-Column","FLOW_GRADIENT":"15% B to 99% B","FLOW_RATE":"0.6 mL/min","COLUMN_TEMPERATURE":"65 C","METHODS_FILENAME":"Data Dictionary Fiehn laboratory_CSH QTOF lipidomics_05-29-2014.pdf","SOLVENT_A":"60:40 Acetonitrile:Water +10mM Ammonium Formate +10mM Formic Acid","SOLVENT_B":"9:1 Isopropanol:Acetonitrile +10mM Ammonium Formate +10mM Formic Acid","COLUMN_PRESSURE":"450-850 bar","INTERNAL_STANDARD":"See data dictionary","RETENTION_TIME":"See data dictionary","SAMPLE_INJECTION":"1.67 uL","ANALYTICAL_TIME":"13 min","CAPILLARY_VOLTAGE":"3500","TIME_PROGRAM":"15 min","WEAK_WASH_SOLVENT_NAME":"Isopropanol","WEAK_WASH_VOLUME":"5 seconds","STRONG_WASH_SOLVENT_NAME":"Isopropanol","TARGET_SAMPLE_TEMPERATURE":"Autosampler temp 4 C","RANDOMIZATION_ORDER":"Excel"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","SOFTWARE_VERSION":"MassHunter","DATA_FORMAT":".d"},

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Agilent 6550 QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","CAPILLARY_VOLTAGE":"3500","COLLISION_GAS":"Nitrogen","DRY_GAS_FLOW":"13 l/min","DRY_GAS_TEMP":"200","FRAGMENT_VOLTAGE":"175","FRAGMENTATION_METHOD":"Auto MS/MS","ION_SOURCE_TEMPERATURE":"325","ION_SPRAY_VOLTAGE":"1000","IONIZATION":"Neg","PRECURSOR_TYPE":"Intact Molecule","REAGENT_GAS":"Nitrogen","SOURCE_TEMPERATURE":"325 C","DESOLVATION_GAS_FLOW":"11 l/min","DESOLVATION_TEMPERATURE":"350 C","NEBULIZER":"35 psig","OCTPOLE_VOLTAGE":"750","RESOLUTION_SETTING":"Extended Dynamic Range","SCAN_RANGE_MOVERZ":"60-1700 Da","SCANNING_CYCLE":"2 Hz","SCANNING_RANGE":"60-1700 Da","SKIMMER_VOLTAGE":"65"},

"MS_METABOLITE_DATA":{
"Units":"Peak height",

"Data":[{"Metabolite":"Ceramide (d36:1) _Ceramide (d36:1)","SA001":"44270.11133","SA002":"41692.11133","SA003":"46390.33008","SA004":"53107.39648","SA005":"45320.90625","SA006":"56995.92773","SA007":"42510.12305","SA008":"38782.51172","SA009":"52314.0957","SA010":"51258.96484","SA011":"76481.3125","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"Ceramide (d40:1) _Ceramide (d40:1)","SA001":"14396.58887","SA002":"14310.60742","SA003":"14585.23535","SA004":"15144.27539","SA005":"14059.65723","SA006":"17502.94824","SA007":"14067.06348","SA008":"12528.84912","SA009":"16440.99951","SA010":"13435.65137","SA011":"24991.37402","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"Ceramide (d41:1) _Ceramide (d41:1)","SA001":"11832.59473","SA002":"12869.05371","SA003":"12134.67334","SA004":"13421.15479","SA005":"11962.77734","SA006":"15401.44775","SA007":"11713.7168","SA008":"4575.75","SA009":"5594.290527","SA010":"11898.88574","SA011":"21680.96875","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"Ceramide (d42:1)","SA001":"5932.138672","SA002":"6962.361328","SA003":"6310.662598","SA004":"7097.137207","SA005":"6716.284668","SA006":"7912.561523","SA007":"6461.992188","SA008":"5424.919922","SA009":"7805.009766","SA010":"6803.585938","SA011":"12410.4707","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"PC (32:1)","SA001":"8057.237793","SA002":"9099.47168","SA003":"8381.464844","SA004":"8377.119141","SA005":"7238.92041","SA006":"9375.279297","SA007":"7104.969727","SA008":"8131.470215","SA009":"7935.857422","SA010":"7446.369629","SA011":"8620.012695","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"PC (34:1)","SA001":"45606.72656","SA002":"48719.96094","SA003":"47624.39453","SA004":"51955.71094","SA005":"44005.30469","SA006":"60916.53906","SA007":"41367.23047","SA008":"42700.60156","SA009":"51131.21875","SA010":"50053.22656","SA011":"65250.22656","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"PC (34:2)","SA001":"88148.39844","SA002":"86381.53906","SA003":"85752.48438","SA004":"84908.77344","SA005":"112707.2344","SA006":"94093.07813","SA007":"76846.35156","SA008":"71252.27344","SA009":"108355.0781","SA010":"77626.6875","SA011":"161365.7969","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"PC (34:3)","SA001":"6057.063965","SA002":"7235.486328","SA003":"","SA004":"6605.304199","SA005":"7082.867676","SA006":"8051.000488","SA007":"5651.464355","SA008":"6369.750488","SA009":"7498.164551","SA010":"5170.855957","SA011":"9807.816406","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"PC (35:2)","SA001":"8412.673828","SA002":"7222.147949","SA003":"8759.668945","SA004":"7924.050293","SA005":"10274.24707","SA006":"8731.083008","SA007":"7421.009766","SA008":"7432.35498","SA009":"9886.419922","SA010":"6416.109375","SA011":"11952.38379","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"PC (36:1)","SA001":"11400.61914","SA002":"12045.46777","SA003":"11975.35156","SA004":"11687.9209","SA005":"10972.75879","SA006":"14081.375","SA007":"10482.92188","SA008":"9303.176758","SA009":"11820.08789","SA010":"10979.04883","SA011":"18052.50781","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"PC (36:2)","SA001":"15162.94141","SA002":"16598.45703","SA003":"17546.96094","SA004":"14884.92188","SA005":"19780.19141","SA006":"18172.29297","SA007":"14390.90918","SA008":"13305.11719","SA009":"20038.08789","SA010":"15087.91016","SA011":"32250.35352","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"PC (36:3)","SA001":"10515.24121","SA002":"11117.41797","SA003":"10698.88086","SA004":"10419.65918","SA005":"12889.12207","SA006":"12058.50391","SA007":"9030.333008","SA008":"9589.56543","SA009":"14480.00195","SA010":"10077.24609","SA011":"18630.65039","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"PC (36:4)","SA001":"8327.820313","SA002":"7989.091309","SA003":"8580.134766","SA004":"8065.437988","SA005":"9375.100586","SA006":"9182.775391","SA007":"6851.200195","SA008":"7089.387695","SA009":"9667.225586","SA010":"6790.181152","SA011":"12380.31445","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"PC (p-34:1) or PC (o-34:2)","SA001":"15232.93359","SA002":"15909.11621","SA003":"17190.8418","SA004":"17340.6875","SA005":"14139.05566","SA006":"20831.70313","SA007":"14502.38477","SA008":"14050.01855","SA009":"16744.61523","SA010":"14722.58691","SA011":"20918.36133","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"PC (p-34:2) or PC (o-34:3)","SA001":"136735.1406","SA002":"124012.625","SA003":"151034.3125","SA004":"131956.4844","SA005":"164687.1719","SA006":"152840.2188","SA007":"131799.4375","SA008":"122323.6484","SA009":"162871.0938","SA010":"105321.6641","SA011":"218751.9375","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"PC (p-36:4) or PC (o-36:5)","SA001":"","SA002":"9652.841797","SA003":"","SA004":"9941.758789","SA005":"","SA006":"10108.41602","SA007":"","SA008":"9716.345703","SA009":"11213.31934","SA010":"8000.528809","SA011":"16148.55371","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"PC (p-38:5) or PC (o-38:6)","SA001":"9924.074219","SA002":"8700.164063","SA003":"11011.98242","SA004":"8895.591797","SA005":"10973.71289","SA006":"10246.33008","SA007":"8933.664063","SA008":"9547.453125","SA009":"10245.87207","SA010":"6398.114746","SA011":"10921.86133","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"PE (36:2)","SA001":"13089.75195","SA002":"12418.45117","SA003":"13981.35059","SA004":"13138.44336","SA005":"17595.48242","SA006":"16069.0332","SA007":"12901.35938","SA008":"9983.56543","SA009":"17549.92578","SA010":"13285.81445","SA011":"30937.98047","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"PE (36:3)","SA001":"16119.65039","SA002":"11011.85742","SA003":"18278.04102","SA004":"12707.17969","SA005":"18545.99414","SA006":"15978.92383","SA007":"13358.10156","SA008":"11679.20313","SA009":"17687.70898","SA010":"9163.446289","SA011":"23233.77539","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"PE (38:4)","SA001":"14698.64941","SA002":"15404.45215","SA003":"17069.75781","SA004":"15622.74414","SA005":"17156.74219","SA006":"19273.48438","SA007":"14975.29102","SA008":"11987.11328","SA009":"18727.17188","SA010":"15355.38867","SA011":"29904.98438","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"PE (p-36:2) or PE (o-36:3)","SA001":"12192.10742","SA002":"12254.7832","SA003":"12657.74414","SA004":"12082.46094","SA005":"12949.12012","SA006":"15046.89551","SA007":"11157.41113","SA008":"9628.699219","SA009":"13537.6416","SA010":"11494.7959","SA011":"23596.8125","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"PE (p-36:4) or PE (o-36:5)","SA001":"7915.890137","SA002":"8721.658203","SA003":"9056.147461","SA004":"7301.228027","SA005":"8706.755859","SA006":"9265.194336","SA007":"7053.763184","SA008":"7082.375977","SA009":"8914.308594","SA010":"7634.374023","SA011":"11853.61133","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"PI (36:1)","SA001":"18791.17578","SA002":"19919.76367","SA003":"20252.02539","SA004":"20255.62891","SA005":"17530.51563","SA006":"23017.08594","SA007":"16649.82813","SA008":"16629.39648","SA009":"20880.89258","SA010":"18238.8418","SA011":"26446.08398","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"PI (36:2)","SA001":"8778.143555","SA002":"8385.913086","SA003":"8713.963867","SA004":"8233.433594","SA005":"10216.94531","SA006":"8752.423828","SA007":"7112.344727","SA008":"6452.005859","SA009":"10706.85254","SA010":"7858.104004","SA011":"16459.60938","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"PI (38:3)","SA001":"10649.28906","SA002":"9267.254883","SA003":"11649.34766","SA004":"9450.058594","SA005":"9763.680664","SA006":"10733.25977","SA007":"8854.688477","SA008":"9880.375977","SA009":"10177.49023","SA010":"8073.504395","SA011":"","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"PI (38:4)","SA001":"25899.91406","SA002":"23060.0918","SA003":"23897.85742","SA004":"23252.90625","SA005":"26124.71289","SA006":"26657.75781","SA007":"19599.37109","SA008":"19398.24023","SA009":"27465.4375","SA010":"20833.59766","SA011":"39723.79688","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"SM (d34:1)","SA001":"10049.55469","SA002":"10992.72168","SA003":"10634.7334","SA004":"9663.813477","SA005":"9679.105469","SA006":"11906.57715","SA007":"8268.920898","SA008":"9001.375977","SA009":"11491.97461","SA010":"9030.46875","SA011":"17266.41992","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"SM (d36:1)","SA001":"19849.27344","SA002":"21124.66992","SA003":"22790.5293","SA004":"21506.68555","SA005":"22103.55859","SA006":"23714.67188","SA007":"19003.43555","SA008":"18054.26758","SA009":"25042.22461","SA010":"18994.41797","SA011":"32669.67969","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"CSH_negESI #377","SA001":"6951.336426","SA002":"6935.018066","SA003":"9163.374023","SA004":"7390.361328","SA005":"9940.563477","SA006":"10837.7168","SA007":"6608.660156","SA008":"8152.397949","SA009":"10388.23926","SA010":"9843.171875","SA011":"14300.26367","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"CSH_negESI #692","SA001":"5483.075195","SA002":"5892.529297","SA003":"5840.310547","SA004":"5919.959961","SA005":"6482.80127","SA006":"6505.166504","SA007":"","SA008":"4363.908691","SA009":"7336.712402","SA010":"5259.677246","SA011":"12539.06152","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"0.51_128.04","SA001":"","SA002":"24733.48438","SA003":"8054.50293","SA004":"","SA005":"10662.19238","SA006":"11303.94629","SA007":"15963.78613","SA008":"9989.351563","SA009":"37054.96094","SA010":"16924.35156","SA011":"11262.60059","SA012":"84305.79688","SA013":"81129.17188","SA014":"","SA015":"","SA016":"62280.99609","SA017":"","SA018":"71211.4375","SA019":"46116.10156"},{"Metabolite":"0.51_454.14","SA001":"","SA002":"10485.2041","SA003":"","SA004":"","SA005":"25765.10352","SA006":"28628.79492","SA007":"16510.33398","SA008":"32043.58594","SA009":"11476.46484","SA010":"","SA011":"39242.82813","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"0.52_312.1","SA001":"","SA002":"45499.08594","SA003":"8440.65625","SA004":"","SA005":"47798.22656","SA006":"38159.64453","SA007":"43961.11719","SA008":"53251.38281","SA009":"43857.38672","SA010":"","SA011":"58324.26563","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"0.53_279.09","SA001":"","SA002":"","SA003":"49041.30859","SA004":"","SA005":"28743.03906","SA006":"34476.60547","SA007":"","SA008":"31285.3457","SA009":"25662.28906","SA010":"","SA011":"47558.57031","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"0.53_307.09","SA001":"","SA002":"9330.422852","SA003":"19703.00977","SA004":"","SA005":"12881.37402","SA006":"19058.61328","SA007":"8610.045898","SA008":"18657.07031","SA009":"11137.35254","SA010":"","SA011":"23735.53906","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"6933.114746","SA017":"","SA018":"7636.288574","SA019":""},{"Metabolite":"0.53_233.1","SA001":"23320.02344","SA002":"32849.61328","SA003":"47022.29297","SA004":"16135.04492","SA005":"36165.73438","SA006":"38852.50391","SA007":"28541.2793","SA008":"44799.37891","SA009":"","SA010":"35287.96484","SA011":"48856.67969","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"0.53_269.09","SA001":"43102.98047","SA002":"9415.416016","SA003":"8606.571289","SA004":"55719.35156","SA005":"8718.061523","SA006":"8363.988281","SA007":"7650.065918","SA008":"7924.562012","SA009":"10109.81152","SA010":"4486.529297","SA011":"9934.951172","SA012":"45034.17969","SA013":"25354.8457","SA014":"7599.819336","SA015":"","SA016":"41175.15625","SA017":"6027.782715","SA018":"64744.32813","SA019":""},{"Metabolite":"0.53_356.12","SA001":"6228.469727","SA002":"8553.206055","SA003":"7214.716309","SA004":"14263.76074","SA005":"6540.030273","SA006":"6695.903809","SA007":"6726.388184","SA008":"7185.235352","SA009":"8737.250977","SA010":"3648.693848","SA011":"8825.107422","SA012":"","SA013":"","SA014":"12625.35449","SA015":"12099.07031","SA016":"8917.171875","SA017":"9320.100586","SA018":"","SA019":"2901.927734"},{"Metabolite":"0.54_367.11","SA001":"7556.75","SA002":"19922.83789","SA003":"131120.5","SA004":"4260.01709","SA005":"44160.12109","SA006":"77749.65625","SA007":"27650.49414","SA008":"56311.01172","SA009":"23517.73633","SA010":"4829.577637","SA011":"115285.6563","SA012":"3391.46875","SA013":"","SA014":"6082.149902","SA015":"6555.910645","SA016":"16736.5918","SA017":"4538.845703","SA018":"7025.112793","SA019":"28557.75977"},{"Metabolite":"0.54_277.07","SA001":"36081.87891","SA002":"53605.875","SA003":"65337.51563","SA004":"27282.53125","SA005":"71279.22656","SA006":"66819.15625","SA007":"80801.375","SA008":"60452.87109","SA009":"39064.07031","SA010":"23735.2793","SA011":"70464","SA012":"22090.33008","SA013":"14495.7373","SA014":"15749.0127","SA015":"5611.825684","SA016":"62564.98438","SA017":"13264.64355","SA018":"26547.28125","SA019":""},{"Metabolite":"0.54_189.06","SA001":"23200.51367","SA002":"91502.71094","SA003":"74393.71094","SA004":"14774.8623","SA005":"120804.7031","SA006":"92692.92969","SA007":"91171.99219","SA008":"85755.98438","SA009":"86158.91406","SA010":"106733.7109","SA011":"73672.5625","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"0.56_201.04","SA001":"4384.418457","SA002":"6997.195801","SA003":"4963.664063","SA004":"5828.445313","SA005":"4502.364746","SA006":"4123.166504","SA007":"5832.954102","SA008":"4446.041016","SA009":"4075.208252","SA010":"11933.4209","SA011":"4174.6875","SA012":"72314.76563","SA013":"97009.21094","SA014":"2849.224365","SA015":"2008.816284","SA016":"24649.19531","SA017":"2741.289551","SA018":"55534.33984","SA019":""},{"Metabolite":"0.56_625.34","SA001":"8080.36084","SA002":"12227.04492","SA003":"14610.26758","SA004":"","SA005":"13697.25","SA006":"13900.89844","SA007":"12272.64453","SA008":"14992.65234","SA009":"12415.45313","SA010":"13319.7041","SA011":"15829.49023","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"0.56_237.09","SA001":"","SA002":"3446.5354","SA003":"4633.179688","SA004":"","SA005":"3098.889648","SA006":"3745.128662","SA007":"3214.447021","SA008":"3556.449951","SA009":"3300.718262","SA010":"4024.65625","SA011":"3483.85498","SA012":"1089058.875","SA013":"945290.5625","SA014":"6942.00293","SA015":"7305.139648","SA016":"689812.9375","SA017":"9087.667969","SA018":"1101334.75","SA019":"1253576.875"},{"Metabolite":"0.56_266.09","SA001":"2759.783203","SA002":"10574.74121","SA003":"10706.72754","SA004":"2549.500732","SA005":"11185.18359","SA006":"10171.16406","SA007":"12877.39551","SA008":"12967.99805","SA009":"9479.753906","SA010":"5512.222656","SA011":"12010.91504","SA012":"13690.36621","SA013":"11951.16504","SA014":"73992.63281","SA015":"13809.18848","SA016":"59894.64844","SA017":"53516.73438","SA018":"6330.005371","SA019":""},{"Metabolite":"0.57_187.04","SA001":"62261.22266","SA002":"261421.4375","SA003":"36626.71094","SA004":"46161.8125","SA005":"126138.1797","SA006":"77639.14844","SA007":"227893.0469","SA008":"57424.60547","SA009":"95892.33594","SA010":"231249.7031","SA011":"43911.62109","SA012":"158228.2344","SA013":"187894.0938","SA014":"72211.04688","SA015":"4572.383789","SA016":"135697.625","SA017":"71261.23438","SA018":"79557.88281","SA019":""},{"Metabolite":"0.57_887.47","SA001":"12522.49805","SA002":"37596.26953","SA003":"25834.83594","SA004":"","SA005":"37088.5625","SA006":"34588.69141","SA007":"37425.77344","SA008":"38729.30859","SA009":"33121.14453","SA010":"38933.68359","SA011":"40657.77344","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"0.57_229.09","SA001":"16761.2793","SA002":"9969.90625","SA003":"3449.05957","SA004":"13606.28027","SA005":"6702.579102","SA006":"4833.251953","SA007":"8091.556641","SA008":"4987.90625","SA009":"5886.925293","SA010":"11029.54395","SA011":"3777.207031","SA012":"","SA013":"62787.71484","SA014":"20229.89063","SA015":"","SA016":"98263.13281","SA017":"58200.35156","SA018":"27648.17578","SA019":""},{"Metabolite":"0.57_168.07","SA001":"3351.163086","SA002":"4271.496094","SA003":"5080.226563","SA004":"2039.995239","SA005":"3892.176025","SA006":"3981.82373","SA007":"3284.056396","SA008":"4504.920898","SA009":"3919.58667","SA010":"2460.793701","SA011":"4966.695801","SA012":"36607.16797","SA013":"30263.45703","SA014":"42329.91016","SA015":"23693.12305","SA016":"47041.48438","SA017":"33432.60938","SA018":"29286.625","SA019":"24238.86914"},{"Metabolite":"0.58_466.2","SA001":"5704.800293","SA002":"10972.93262","SA003":"13302.1582","SA004":"","SA005":"9589.952148","SA006":"10285.97559","SA007":"10686.39746","SA008":"12212.62988","SA009":"9735.235352","SA010":"","SA011":"10142.73438","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"0.58_221.06","SA001":"2597.439209","SA002":"4157.162109","SA003":"4542.089844","SA004":"","SA005":"5958.020508","SA006":"5762.936035","SA007":"4061.395508","SA008":"6473.353516","SA009":"8106.912598","SA010":"5628.402832","SA011":"4088.318848","SA012":"5221.000488","SA013":"3465.855957","SA014":"11831.49219","SA015":"13950","SA016":"9158.946289","SA017":"16423.52734","SA018":"","SA019":""},{"Metabolite":"0.59_966","SA001":"140058.2344","SA002":"8350.957031","SA003":"618361.125","SA004":"8429.198242","SA005":"66536.14844","SA006":"8696.238281","SA007":"750096.6875","SA008":"120400.8125","SA009":"5108.768555","SA010":"9488.522461","SA011":"836061.125","SA012":"12800.64355","SA013":"18479.09961","SA014":"134364.1406","SA015":"12784.20117","SA016":"71829.20313","SA017":"7383.844727","SA018":"130095.9297","SA019":"6352.291992"},{"Metabolite":"0.6_131.07","SA001":"4933.522949","SA002":"13264.89941","SA003":"5133.158691","SA004":"4125.811035","SA005":"12918.58008","SA006":"8600.717773","SA007":"14037.25781","SA008":"6822.812988","SA009":"9250.583984","SA010":"16799.39258","SA011":"5285.796875","SA012":"","SA013":"98799.28906","SA014":"26449.875","SA015":"","SA016":"79797.17969","SA017":"117346.4453","SA018":"72680.75","SA019":"2277.77002"},{"Metabolite":"0.62_397.16","SA001":"16911.13086","SA002":"2647.937744","SA003":"34217.67578","SA004":"3608.306152","SA005":"3320.775146","SA006":"4866.192383","SA007":"5125.194336","SA008":"3009.115479","SA009":"2324.167236","SA010":"2009.72937","SA011":"2813.36499","SA012":"4171.157715","SA013":"4244.509766","SA014":"2318.472656","SA015":"","SA016":"3467.177734","SA017":"2037.553101","SA018":"3785.680664","SA019":"5259.255371"},{"Metabolite":"0.62_209.03","SA001":"24824.83203","SA002":"42669.59375","SA003":"66851.28125","SA004":"15222.6875","SA005":"39884.89453","SA006":"44680.60547","SA007":"40593.35938","SA008":"61591.99219","SA009":"52784.07813","SA010":"30378.0293","SA011":"58098.56641","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"0.65_172.09","SA001":"","SA002":"15563.16211","SA003":"8957.026367","SA004":"","SA005":"10455.12402","SA006":"9732.163086","SA007":"12147.31934","SA008":"9455.605469","SA009":"10000.58008","SA010":"9548.419922","SA011":"","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"0.67_354.24","SA001":"16877.08984","SA002":"50199.05469","SA003":"18138.65625","SA004":"17029.77734","SA005":"30799.33203","SA006":"25021.79297","SA007":"52806.76563","SA008":"27699.94727","SA009":"36138.60547","SA010":"28796.61328","SA011":"25099.58594","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"0.78_407.28","SA001":"","SA002":"12182.17676","SA003":"6006.161133","SA004":"","SA005":"6636.655762","SA006":"","SA007":"9477.727539","SA008":"7657.769531","SA009":"8483.638672","SA010":"39708.48438","SA011":"5256.324219","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"0.79_209.12","SA001":"3482.816406","SA002":"","SA003":"","SA004":"","SA005":"","SA006":"2628.198975","SA007":"","SA008":"","SA009":"3595.134033","SA010":"2658.120361","SA011":"","SA012":"9690.818359","SA013":"54676.73828","SA014":"15904.57813","SA015":"","SA016":"","SA017":"13767.54688","SA018":"14647.52539","SA019":""},{"Metabolite":"0.79_290.18","SA001":"23917.36523","SA002":"36304.39844","SA003":"25519.6543","SA004":"24280.84766","SA005":"23278.37109","SA006":"19988.99414","SA007":"40506.78125","SA008":"11330.30176","SA009":"","SA010":"","SA011":"20206.87695","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"0.8_221.15","SA001":"6337.129395","SA002":"9646.400391","SA003":"10118.27441","SA004":"5333.432617","SA005":"8768.443359","SA006":"7167.047852","SA007":"8592.291016","SA008":"9408.06543","SA009":"10270.08301","SA010":"9160.421875","SA011":"7903.709473","SA012":"3164.975098","SA013":"3981.174072","SA014":"4327.307617","SA015":"","SA016":"2606.414795","SA017":"3762.131836","SA018":"4251.633789","SA019":""},{"Metabolite":"0.81_293.18","SA001":"96963.23438","SA002":"117927.2422","SA003":"119632.5391","SA004":"84074.625","SA005":"114017.9766","SA006":"83324.47656","SA007":"101687.8984","SA008":"117406.5781","SA009":"127516.7813","SA010":"111916.5156","SA011":"105162.9453","SA012":"43080.57031","SA013":"66856.25781","SA014":"50295.33203","SA015":"21200.80859","SA016":"32708.04297","SA017":"44786.26953","SA018":"64012.66016","SA019":"22396.96094"},{"Metabolite":"0.83_256.19","SA001":"30497.50586","SA002":"53013.57813","SA003":"35351.15234","SA004":"32717.58594","SA005":"37757.89453","SA006":"33615.58203","SA007":"55014.82031","SA008":"20388.49609","SA009":"6678.047363","SA010":"","SA011":"30103.35352","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"0.83_265.15","SA001":"66381.57813","SA002":"217721.2344","SA003":"401710.0625","SA004":"237809.9375","SA005":"210362.4063","SA006":"214194.9375","SA007":"279275.1875","SA008":"356265.1875","SA009":"268603.875","SA010":"181542.5625","SA011":"350798.5625","SA012":"6941.098145","SA013":"5944.415527","SA014":"4269.554688","SA015":"3932.743896","SA016":"3530.703369","SA017":"6109.958984","SA018":"4199.403809","SA019":"5233.811035"},{"Metabolite":"0.86_375.24","SA001":"7630.901367","SA002":"4899.452148","SA003":"4547.857422","SA004":"7427.768555","SA005":"4376.955566","SA006":"4287.188477","SA007":"4470.316406","SA008":"4148.876465","SA009":"11015.25098","SA010":"5569.411621","SA011":"5620.053223","SA012":"22851.72852","SA013":"21427.0918","SA014":"2507.787109","SA015":"2292.50708","SA016":"5359.579102","SA017":"2899.568604","SA018":"25103.61523","SA019":"29075.55469"},{"Metabolite":"0.89_311.17","SA001":"36564.98438","SA002":"30492.39844","SA003":"30210.00977","SA004":"28958.68359","SA005":"28827.39063","SA006":"27721.54688","SA007":"20595.48438","SA008":"24087.11719","SA009":"35077.71484","SA010":"27840.96289","SA011":"27465.25586","SA012":"18090.19727","SA013":"13967.75098","SA014":"17678.5","SA015":"14366.625","SA016":"15999.38672","SA017":"17529.56055","SA018":"12511.69336","SA019":"13979.36426"},{"Metabolite":"1.12_421.23","SA001":"50962.62891","SA002":"10992.45117","SA003":"72785.89063","SA004":"42643.78125","SA005":"29968.03516","SA006":"29191.23828","SA007":"36345.28516","SA008":"53233.25781","SA009":"33076.58203","SA010":"22001.59961","SA011":"63207.98047","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"1.15_293.18","SA001":"16825.375","SA002":"17055.04883","SA003":"28225.74805","SA004":"33148.46094","SA005":"16052.07715","SA006":"16264.74707","SA007":"23960.41016","SA008":"27306.43359","SA009":"20374.54102","SA010":"14179.13672","SA011":"29376.90234","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"1.16_325.18","SA001":"33911.94141","SA002":"23484.62305","SA003":"22607.17383","SA004":"25978.91602","SA005":"23934.46484","SA006":"20081.96094","SA007":"14761.4375","SA008":"16629.20313","SA009":"22593.00781","SA010":"19684.49805","SA011":"20278.48633","SA012":"21388.79688","SA013":"16666.4707","SA014":"15000.4043","SA015":"16024.47461","SA016":"13854.98633","SA017":"15117.20605","SA018":"13200.83984","SA019":"14230.79492"},{"Metabolite":"1.97_489.28","SA001":"24587.66211","SA002":"17065.78906","SA003":"18985.39844","SA004":"21574.4043","SA005":"14283.41504","SA006":"11489.44238","SA007":"15029.04688","SA008":"15283.54199","SA009":"13422.0625","SA010":"14629.53613","SA011":"15752.12695","SA012":"13611.47559","SA013":"23438.17578","SA014":"13138.70313","SA015":"13178.75781","SA016":"15439.1123","SA017":"16943.08984","SA018":"14282.49805","SA019":"15612.9248"},{"Metabolite":"2.07_416.08","SA001":"11456.87305","SA002":"19146.37695","SA003":"","SA004":"11720.04297","SA005":"4441.182617","SA006":"7366.314453","SA007":"7436.892578","SA008":"","SA009":"9001.404297","SA010":"7631.194336","SA011":"18114.78711","SA012":"28205.86523","SA013":"21232.16797","SA014":"","SA015":"21993.54297","SA016":"","SA017":"","SA018":"7651.578125","SA019":""},{"Metabolite":"2.44_967","SA001":"44191.91797","SA002":"22269.62891","SA003":"3059.652832","SA004":"","SA005":"2768.908936","SA006":"2831.129395","SA007":"2326.878906","SA008":"30696.85352","SA009":"28806.03906","SA010":"29994.49414","SA011":"2434.763428","SA012":"","SA013":"","SA014":"2631.90332","SA015":"","SA016":"4119.363281","SA017":"97823.11719","SA018":"3649.72168","SA019":"116625.8281"},{"Metabolite":"3.16_367.25","SA001":"581917.125","SA002":"532200.625","SA003":"511331.2813","SA004":"551272.25","SA005":"771636.75","SA006":"434862.0938","SA007":"620954.875","SA008":"761111.25","SA009":"925319.0625","SA010":"441174.0625","SA011":"496613.0625","SA012":"6129.219727","SA013":"7137.740234","SA014":"4284.105957","SA015":"5996.198242","SA016":"6498.935547","SA017":"6339.060547","SA018":"6489.023926","SA019":"6740.54834"},{"Metabolite":"3.18_465.3","SA001":"125669.7578","SA002":"","SA003":"","SA004":"","SA005":"201210.25","SA006":"","SA007":"147911.0156","SA008":"","SA009":"","SA010":"","SA011":"","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"3.19_396.22","SA001":"17851.86719","SA002":"4227.348633","SA003":"12885.81543","SA004":"6214.928223","SA005":"54824.28516","SA006":"62691.5625","SA007":"8687.22168","SA008":"17824.85352","SA009":"64430.67188","SA010":"13042.50098","SA011":"5151.390625","SA012":"9814.308594","SA013":"6807.76123","SA014":"3058.869385","SA015":"6429.128906","SA016":"3900.583496","SA017":"3797.36084","SA018":"2870.925293","SA019":"4159.721191"},{"Metabolite":"3.2_479.28","SA001":"","SA002":"20624.7832","SA003":"11767.67578","SA004":"","SA005":"11704.03711","SA006":"13114.0127","SA007":"15905.0293","SA008":"16875.10938","SA009":"10731.4248","SA010":"11826.31641","SA011":"12885.27734","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"3.21_305.25","SA001":"","SA002":"","SA003":"7751.160645","SA004":"","SA005":"","SA006":"6335.865723","SA007":"","SA008":"","SA009":"","SA010":"33924.03125","SA011":"","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"3.26_441.2","SA001":"59896.48438","SA002":"2118.587891","SA003":"52829.03906","SA004":"12799.94336","SA005":"214270.7031","SA006":"94541.60156","SA007":"10178.02734","SA008":"78406.65625","SA009":"151253.3281","SA010":"23535.36523","SA011":"3997.623291","SA012":"22783.92969","SA013":"30089.35547","SA014":"2708.017334","SA015":"11673.82227","SA016":"5271.913574","SA017":"5890.133301","SA018":"","SA019":"7621.794434"},{"Metabolite":"3.55_423.33","SA001":"11555.12109","SA002":"9708.163086","SA003":"11470.49512","SA004":"10875.30371","SA005":"13775.85938","SA006":"9211.019531","SA007":"13324.19336","SA008":"13113.92383","SA009":"16213.69531","SA010":"8334.489258","SA011":"11835.52637","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"3.73_501.34","SA001":"17450.38672","SA002":"20071.08594","SA003":"15624.42578","SA004":"10070.73535","SA005":"24351.73242","SA006":"6153.058105","SA007":"20034.20508","SA008":"13332.89063","SA009":"29699.52734","SA010":"14122.62598","SA011":"16762.14063","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"4.89_662.48","SA001":"15621.24121","SA002":"","SA003":"13394.03223","SA004":"","SA005":"7980.629395","SA006":"16951.33594","SA007":"10336.43945","SA008":"","SA009":"","SA010":"","SA011":"","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"5.41_854.57","SA001":"5369.866699","SA002":"","SA003":"","SA004":"","SA005":"","SA006":"","SA007":"4899.106934","SA008":"","SA009":"5464.236328","SA010":"","SA011":"7216.768555","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"5.42_913.58","SA001":"6026.652344","SA002":"","SA003":"6863.245605","SA004":"","SA005":"6171.598633","SA006":"6583.641113","SA007":"5665.249023","SA008":"","SA009":"6355.744629","SA010":"","SA011":"8409.542969","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"5.64_1509.11","SA001":"4300.164551","SA002":"5016.757813","SA003":"4471.387695","SA004":"","SA005":"","SA006":"","SA007":"","SA008":"4160.23291","SA009":"","SA010":"","SA011":"5549.133789","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"5.98_450.35","SA001":"23266.55664","SA002":"30848.55469","SA003":"23607.92773","SA004":"24148.54492","SA005":"21129.34766","SA006":"23968.29883","SA007":"21395.59375","SA008":"28393.01563","SA009":"23085.55078","SA010":"25131.17383","SA011":"24003.84766","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"6.72_955.97","SA001":"","SA002":"","SA003":"179476.6406","SA004":"","SA005":"","SA006":"","SA007":"34288.33594","SA008":"","SA009":"","SA010":"","SA011":"104918.7969","SA012":"","SA013":"79684.07031","SA014":"156158.1094","SA015":"","SA016":"4233.800781","SA017":"","SA018":"","SA019":""},{"Metabolite":"6.72_968.01","SA001":"","SA002":"","SA003":"106506.3203","SA004":"","SA005":"","SA006":"","SA007":"16616.49023","SA008":"","SA009":"","SA010":"","SA011":"28189","SA012":"","SA013":"37054.68359","SA014":"74096.09375","SA015":"","SA016":"3601.347168","SA017":"","SA018":"","SA019":""},{"Metabolite":"7.83_683.59","SA001":"","SA002":"4167.441406","SA003":"4214.920898","SA004":"4365.001465","SA005":"4218.016113","SA006":"5483.100586","SA007":"4057.152344","SA008":"4105.593262","SA009":"5148.124023","SA010":"4017.251465","SA011":"7840.90918","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"8.46_684.61","SA001":"7667.583496","SA002":"8935.045898","SA003":"6991.163574","SA004":"8293.639648","SA005":"8551.665039","SA006":"9772.688477","SA007":"7277.428711","SA008":"5865.999512","SA009":"7972.554199","SA010":"7292.34375","SA011":"13992.73828","SA012":"","SA013":"","SA014":"","SA015":"","SA016":"","SA017":"","SA018":"","SA019":""},{"Metabolite":"8.83_967","SA001":"378693.2188","SA002":"35568.93359","SA003":"2975.482178","SA004":"20769.0293","SA005":"2811.225098","SA006":"","SA007":"2451.501709","SA008":"27479.8418","SA009":"20796.93945","SA010":"18379.5957","SA011":"2718.779541","SA012":"","SA013":"2546.382813","SA014":"2406.51001","SA015":"2485.308594","SA016":"6320.76416","SA017":"4837.640137","SA018":"","SA019":""},{"Metabolite":"12.9_955.97","SA001":"","SA002":"","SA003":"6362.868652","SA004":"","SA005":"15554.89746","SA006":"2142.566406","SA007":"14989.8291","SA008":"4699.464355","SA009":"","SA010":"","SA011":"103418.6094","SA012":"195719.3906","SA013":"","SA014":"16277.30469","SA015":"2062.502441","SA016":"36148.44922","SA017":"","SA018":"2392.432861","SA019":""},{"Metabolite":"13.06_966","SA001":"8153.046875","SA002":"6590.000977","SA003":"124056.6797","SA004":"7276.73877","SA005":"86132.67188","SA006":"10906.03516","SA007":"80326.11719","SA008":"42517.65234","SA009":"89916.78125","SA010":"7840.260742","SA011":"527247.875","SA012":"878917.625","SA013":"1589869.75","SA014":"155733.5313","SA015":"9575.570313","SA016":"204788.8438","SA017":"154977.8125","SA018":"8728.958008","SA019":"8515.962891"},{"Metabolite":"13.08_119.04","SA001":"7352.970215","SA002":"8680.892578","SA003":"19616.06055","SA004":"9510.105469","SA005":"7040.879395","SA006":"9373.015625","SA007":"8249.254883","SA008":"7289.194824","SA009":"6808.766602","SA010":"9198.175781","SA011":"21589.10742","SA012":"253805.9688","SA013":"297328.9063","SA014":"8876.15625","SA015":"8685.299805","SA016":"11889.54004","SA017":"9289.522461","SA018":"8600.238281","SA019":"7691.458008"},{"Metabolite":"13.08_982.99","SA001":"","SA002":"","SA003":"3342.14209","SA004":"","SA005":"2163.019043","SA006":"","SA007":"31669.54688","SA008":"","SA009":"2624.072021","SA010":"","SA011":"16052.33105","SA012":"27332.07422","SA013":"45390.39844","SA014":"4965.265137","SA015":"","SA016":"3980.370361","SA017":"4894.65918","SA018":"","SA019":""},{"Metabolite":"13.52_955.97","SA001":"","SA002":"","SA003":"174900.25","SA004":"","SA005":"76392.80469","SA006":"","SA007":"211035.6875","SA008":"11203.61719","SA009":"55819.95703","SA010":"","SA011":"104375.0547","SA012":"6459.433105","SA013":"16290.45508","SA014":"193920.7344","SA015":"","SA016":"22241.75977","SA017":"21793.98242","SA018":"","SA019":""},{"Metabolite":"13.58_966","SA001":"8153.046875","SA002":"5674.177734","SA003":"970837.8125","SA004":"6952.361328","SA005":"470836","SA006":"7131.445313","SA007":"1069213.625","SA008":"62418.65625","SA009":"301738.6563","SA010":"6928.503418","SA011":"485819.5313","SA012":"29653.51953","SA013":"77564.38281","SA014":"917025.9375","SA015":"8320.674805","SA016":"124258.0234","SA017":"121672.5781","SA018":"8659.761719","SA019":"8515.962891"},{"Metabolite":"13.69_119.04","SA001":"7882.11377","SA002":"7972.669434","SA003":"342795.9688","SA004":"8720.442383","SA005":"23729.72266","SA006":"7640.720215","SA007":"193474.8438","SA008":"6684.518066","SA009":"19052.80273","SA010":"7697.26123","SA011":"212133.0938","SA012":"12982.31445","SA013":"16209.39063","SA014":"358200.0313","SA015":"8506.415039","SA016":"10907.01465","SA017":"11263.94336","SA018":"7119.709473","SA019":"7261.935059"}],

"Metabolites":[{"Metabolite":"Ceramide (d36:1) _Ceramide (d36:1)","Identifier":"6.46_600.51_6.45_610.54","RT":"6.454","m/z":"600.5126_610.5414","Adduct":"[M+Cl]-_[M+HCOO]-","Molecular Formula":"C36H71NO3"},{"Metabolite":"Ceramide (d40:1) _Ceramide (d40:1)","Identifier":"7.83_656.58_7.81_666.6","RT":"7.817","m/z":"656.575_666.6037","Adduct":"[M+Cl]-_[M+HCOO]-","Molecular Formula":"C40H79NO3"},{"Metabolite":"Ceramide (d41:1) _Ceramide (d41:1)","Identifier":"8.14_670.59_8.14_680.62","RT":"8.1385","m/z":"670.5907_680.6194","Adduct":"[M+Cl]-_[M+HCOO]-","Molecular Formula":"C41H81NO3"},{"Metabolite":"Ceramide (d42:1)","Identifier":"8.45_694.64","RT":"8.449","m/z":"694.6354","Adduct":"[M+HCOO]-","Molecular Formula":"C42H83NO3"},{"Metabolite":"PC (32:1)","Identifier":"5.01_776.54","RT":"5.014","m/z":"776.5443","Adduct":"[M+HCOO]-","Molecular Formula":"C40H78NO8P"},{"Metabolite":"PC (34:1)","Identifier":"5.61_804.58","RT":"5.607","m/z":"804.5758","Adduct":"[M+HCOO]-","Molecular Formula":"C42H82NO8P"},{"Metabolite":"PC (34:2)","Identifier":"5.14_802.56","RT":"5.14","m/z":"802.5601","Adduct":"[M+HCOO]-","Molecular Formula":"C42H80NO8P"},{"Metabolite":"PC (34:3)","Identifier":"4.72_800.54","RT":"4.716","m/z":"800.5442","Adduct":"[M+HCOO]-","Molecular Formula":"C40H80NO8P"},{"Metabolite":"PC (35:2)","Identifier":"5.41_816.58","RT":"5.407","m/z":"816.5754","Adduct":"[M+HCOO]-","Molecular Formula":"C43H82NO8P"},{"Metabolite":"PC (36:1)","Identifier":"6.29_832.61","RT":"6.288","m/z":"832.6071","Adduct":"[M+HCOO]-","Molecular Formula":"C44H86NO8P"},{"Metabolite":"PC (36:2)","Identifier":"5.78_830.59","RT":"5.783","m/z":"830.5912","Adduct":"[M+HCOO]-","Molecular Formula":"C44H84NO8P"},{"Metabolite":"PC (36:3)","Identifier":"5.23_828.58","RT":"5.225","m/z":"828.5754","Adduct":"[M+HCOO]-","Molecular Formula":"C44H82NO8P"},{"Metabolite":"PC (36:4)","Identifier":"5.05_826.56","RT":"5.048","m/z":"826.5601","Adduct":"[M+HCOO]-","Molecular Formula":"C44H80NO8P"},{"Metabolite":"PC (p-34:1) or PC (o-34:2)","Identifier":"5.92_788.58","RT":"5.923","m/z":"788.5798","Adduct":"[M+HCOO]-","Molecular Formula":"C42H82NO7P"},{"Metabolite":"PC (p-34:2) or PC (o-34:3)","Identifier":"5.41_786.56","RT":"5.41","m/z":"786.5649","Adduct":"[M+HCOO]-","Molecular Formula":"C42H80NO7P"},{"Metabolite":"PC (p-36:4) or PC (o-36:5)","Identifier":"5.31_810.56","RT":"5.309","m/z":"810.5649","Adduct":"[M+HCOO]-","Molecular Formula":"C44H80NO7P"},{"Metabolite":"PC (p-38:5) or PC (o-38:6)","Identifier":"5.37_836.58","RT":"5.371","m/z":"836.5793","Adduct":"[M+HCOO]-","Molecular Formula":"C46H82NO7P"},{"Metabolite":"PE (36:2)","Identifier":"5.96_742.54","RT":"5.96","m/z":"742.5389","Adduct":"[M-H]-","Molecular Formula":"C41H78NO8P"},{"Metabolite":"PE (36:3)","Identifier":"5.39_740.52","RT":"5.393","m/z":"740.5233","Adduct":"[M-H]-","Molecular Formula":"C41H76NO8P"},{"Metabolite":"PE (38:4)","Identifier":"5.86_766.54","RT":"5.862","m/z":"766.5391","Adduct":"[M-H]-","Molecular Formula":"C43H78NO8P"},{"Metabolite":"PE (p-36:2) or PE (o-36:3)","Identifier":"6.29_726.54","RT":"6.295","m/z":"726.544","Adduct":"[M-H]-","Molecular Formula":"C41H78NO7P"},{"Metabolite":"PE (p-36:4) or PE (o-36:5)","Identifier":"5.47_722.51","RT":"5.466","m/z":"722.5124","Adduct":"[M-H]-","Molecular Formula":"C41H74NO7P"},{"Metabolite":"PI (36:1)","Identifier":"5.55_863.57","RT":"5.552","m/z":"863.565","Adduct":"[M-H]-","Molecular Formula":"C45H85O13P"},{"Metabolite":"PI (36:2)","Identifier":"5.1_861.55","RT":"5.098","m/z":"861.5491","Adduct":"[M-H]-","Molecular Formula":"C45H83O13P"},{"Metabolite":"PI (38:3)","Identifier":"5.42_887.56","RT":"5.424","m/z":"887.5649","Adduct":"[M-H]-","Molecular Formula":"C47H85O13P"},{"Metabolite":"PI (38:4)","Identifier":"5.01_885.55","RT":"5.014","m/z":"885.5496","Adduct":"[M-H]-","Molecular Formula":"C47H83O13P"},{"Metabolite":"SM (d34:1)","Identifier":"4.83_747.57","RT":"4.834","m/z":"747.5652","Adduct":"[M+HCOO]-","Molecular Formula":"C39H79N2O6P"},{"Metabolite":"SM (d36:1)","Identifier":"5.47_775.6","RT":"5.474","m/z":"775.5959","Adduct":"[M+HCOO]-","Molecular Formula":"C41H83N2O6P"},{"Metabolite":"CSH_negESI #377","Identifier":"9.56_862.68","RT":"9.56","m/z":"862.6839","Adduct":"","Molecular Formula":""},{"Metabolite":"CSH_negESI #692","Identifier":"6.07_814.6","RT":"6.069","m/z":"814.5966","Adduct":"","Molecular Formula":""},{"Metabolite":"0.51_128.04","Identifier":"0.51_128.04","RT":"0.508","m/z":"128.0362","Adduct":"","Molecular Formula":""},{"Metabolite":"0.51_454.14","Identifier":"0.51_454.14","RT":"0.508","m/z":"454.1423","Adduct":"","Molecular Formula":""},{"Metabolite":"0.52_312.1","Identifier":"0.52_312.1","RT":"0.522","m/z":"312.0974","Adduct":"","Molecular Formula":""},{"Metabolite":"0.53_279.09","Identifier":"0.53_279.09","RT":"0.526","m/z":"279.0893","Adduct":"","Molecular Formula":""},{"Metabolite":"0.53_307.09","Identifier":"0.53_307.09","RT":"0.528","m/z":"307.0864","Adduct":"","Molecular Formula":""},{"Metabolite":"0.53_233.1","Identifier":"0.53_233.1","RT":"0.533","m/z":"233.1041","Adduct":"","Molecular Formula":""},{"Metabolite":"0.53_269.09","Identifier":"0.53_269.09","RT":"0.534","m/z":"269.0883","Adduct":"","Molecular Formula":""},{"Metabolite":"0.53_356.12","Identifier":"0.53_356.12","RT":"0.534","m/z":"356.12","Adduct":"","Molecular Formula":""},{"Metabolite":"0.54_367.11","Identifier":"0.54_367.11","RT":"0.542","m/z":"367.108","Adduct":"","Molecular Formula":""},{"Metabolite":"0.54_277.07","Identifier":"0.54_277.07","RT":"0.543","m/z":"277.0742","Adduct":"","Molecular Formula":""},{"Metabolite":"0.54_189.06","Identifier":"0.54_189.06","RT":"0.544","m/z":"189.0591","Adduct":"","Molecular Formula":""},{"Metabolite":"0.56_201.04","Identifier":"0.56_201.04","RT":"0.556","m/z":"201.0401","Adduct":"","Molecular Formula":""},{"Metabolite":"0.56_625.34","Identifier":"0.56_625.34","RT":"0.558","m/z":"625.335","Adduct":"","Molecular Formula":""},{"Metabolite":"0.56_237.09","Identifier":"0.56_237.09","RT":"0.559","m/z":"237.0903","Adduct":"","Molecular Formula":""},{"Metabolite":"0.56_266.09","Identifier":"0.56_266.09","RT":"0.561","m/z":"266.0897","Adduct":"","Molecular Formula":""},{"Metabolite":"0.57_187.04","Identifier":"0.57_187.04","RT":"0.565","m/z":"187.0427","Adduct":"","Molecular Formula":""},{"Metabolite":"0.57_887.47","Identifier":"0.57_887.47","RT":"0.568","m/z":"887.4668","Adduct":"","Molecular Formula":""},{"Metabolite":"0.57_229.09","Identifier":"0.57_229.09","RT":"0.57","m/z":"229.0883","Adduct":"","Molecular Formula":""},{"Metabolite":"0.57_168.07","Identifier":"0.57_168.07","RT":"0.574","m/z":"168.0664","Adduct":"","Molecular Formula":""},{"Metabolite":"0.58_466.2","Identifier":"0.58_466.2","RT":"0.578","m/z":"466.2001","Adduct":"","Molecular Formula":""},{"Metabolite":"0.58_221.06","Identifier":"0.58_221.06","RT":"0.583","m/z":"221.063","Adduct":"","Molecular Formula":""},{"Metabolite":"0.59_966","Identifier":"0.59_966","RT":"0.589","m/z":"966.0007","Adduct":"","Molecular Formula":""},{"Metabolite":"0.6_131.07","Identifier":"0.6_131.07","RT":"0.596","m/z":"131.0732","Adduct":"","Molecular Formula":""},{"Metabolite":"0.62_397.16","Identifier":"0.62_397.16","RT":"0.616","m/z":"397.1622","Adduct":"","Molecular Formula":""},{"Metabolite":"0.62_209.03","Identifier":"0.62_209.03","RT":"0.62","m/z":"209.0288","Adduct":"","Molecular Formula":""},{"Metabolite":"0.65_172.09","Identifier":"0.65_172.09","RT":"0.649","m/z":"172.0882","Adduct":"","Molecular Formula":""},{"Metabolite":"0.67_354.24","Identifier":"0.67_354.24","RT":"0.669","m/z":"354.2394","Adduct":"","Molecular Formula":""},{"Metabolite":"0.78_407.28","Identifier":"0.78_407.28","RT":"0.784","m/z":"407.2798","Adduct":"","Molecular Formula":""},{"Metabolite":"0.79_209.12","Identifier":"0.79_209.12","RT":"0.788","m/z":"209.1181","Adduct":"","Molecular Formula":""},{"Metabolite":"0.79_290.18","Identifier":"0.79_290.18","RT":"0.791","m/z":"290.1764","Adduct":"","Molecular Formula":""},{"Metabolite":"0.8_221.15","Identifier":"0.8_221.15","RT":"0.804","m/z":"221.1544","Adduct":"","Molecular Formula":""},{"Metabolite":"0.81_293.18","Identifier":"0.81_293.18","RT":"0.805","m/z":"293.1761","Adduct":"","Molecular Formula":""},{"Metabolite":"0.83_256.19","Identifier":"0.83_256.19","RT":"0.826","m/z":"256.1919","Adduct":"","Molecular Formula":""},{"Metabolite":"0.83_265.15","Identifier":"0.83_265.15","RT":"0.826","m/z":"265.1483","Adduct":"","Molecular Formula":""},{"Metabolite":"0.86_375.24","Identifier":"0.86_375.24","RT":"0.855","m/z":"375.2416","Adduct":"","Molecular Formula":""},{"Metabolite":"0.89_311.17","Identifier":"0.89_311.17","RT":"0.892","m/z":"311.1691","Adduct":"","Molecular Formula":""},{"Metabolite":"1.12_421.23","Identifier":"1.12_421.23","RT":"1.122","m/z":"421.2266","Adduct":"","Molecular Formula":""},{"Metabolite":"1.15_293.18","Identifier":"1.15_293.18","RT":"1.146","m/z":"293.1792","Adduct":"","Molecular Formula":""},{"Metabolite":"1.16_325.18","Identifier":"1.16_325.18","RT":"1.162","m/z":"325.1844","Adduct":"","Molecular Formula":""},{"Metabolite":"1.97_489.28","Identifier":"1.97_489.28","RT":"1.969","m/z":"489.2775","Adduct":"","Molecular Formula":""},{"Metabolite":"2.07_416.08","Identifier":"2.07_416.08","RT":"2.074","m/z":"416.0807","Adduct":"","Molecular Formula":""},{"Metabolite":"2.44_967","Identifier":"2.44_967","RT":"2.439","m/z":"967.0036","Adduct":"","Molecular Formula":""},{"Metabolite":"3.16_367.25","Identifier":"3.16_367.25","RT":"3.164","m/z":"367.254","Adduct":"","Molecular Formula":""},{"Metabolite":"3.18_465.3","Identifier":"3.18_465.3","RT":"3.182","m/z":"465.3044","Adduct":"","Molecular Formula":""},{"Metabolite":"3.19_396.22","Identifier":"3.19_396.22","RT":"3.195","m/z":"396.2183","Adduct":"","Molecular Formula":""},{"Metabolite":"3.2_479.28","Identifier":"3.2_479.28","RT":"3.199","m/z":"479.2784","Adduct":"","Molecular Formula":""},{"Metabolite":"3.21_305.25","Identifier":"3.21_305.25","RT":"3.213","m/z":"305.2512","Adduct":"","Molecular Formula":""},{"Metabolite":"3.26_441.2","Identifier":"3.26_441.2","RT":"3.257","m/z":"441.2034","Adduct":"","Molecular Formula":""},{"Metabolite":"3.55_423.33","Identifier":"3.55_423.33","RT":"3.548","m/z":"423.3266","Adduct":"","Molecular Formula":""},{"Metabolite":"3.73_501.34","Identifier":"3.73_501.34","RT":"3.733","m/z":"501.3372","Adduct":"","Molecular Formula":""},{"Metabolite":"4.89_662.48","Identifier":"4.89_662.48","RT":"4.888","m/z":"662.4766","Adduct":"","Molecular Formula":""},{"Metabolite":"5.41_854.57","Identifier":"5.41_854.57","RT":"5.414","m/z":"854.5668","Adduct":"","Molecular Formula":""},{"Metabolite":"5.42_913.58","Identifier":"5.42_913.58","RT":"5.419","m/z":"913.5805","Adduct":"","Molecular Formula":""},{"Metabolite":"5.64_1509.11","Identifier":"5.64_1509.11","RT":"5.642","m/z":"1509.1096","Adduct":"","Molecular Formula":""},{"Metabolite":"5.98_450.35","Identifier":"5.98_450.35","RT":"5.983","m/z":"450.3501","Adduct":"","Molecular Formula":""},{"Metabolite":"6.72_955.97","Identifier":"6.72_955.97","RT":"6.72","m/z":"955.9713","Adduct":"","Molecular Formula":""},{"Metabolite":"6.72_968.01","Identifier":"6.72_968.01","RT":"6.721","m/z":"968.0052","Adduct":"","Molecular Formula":""},{"Metabolite":"7.83_683.59","Identifier":"7.83_683.59","RT":"7.832","m/z":"683.5945","Adduct":"","Molecular Formula":""},{"Metabolite":"8.46_684.61","Identifier":"8.46_684.61","RT":"8.461","m/z":"684.6062","Adduct":"","Molecular Formula":""},{"Metabolite":"8.83_967","Identifier":"8.83_967","RT":"8.831","m/z":"967.0036","Adduct":"","Molecular Formula":""},{"Metabolite":"12.9_955.97","Identifier":"12.9_955.97","RT":"12.902","m/z":"955.9717","Adduct":"","Molecular Formula":""},{"Metabolite":"13.06_966","Identifier":"13.06_966","RT":"13.063","m/z":"966.0007","Adduct":"","Molecular Formula":""},{"Metabolite":"13.08_119.04","Identifier":"13.08_119.04","RT":"13.077","m/z":"119.0363","Adduct":"","Molecular Formula":""},{"Metabolite":"13.08_982.99","Identifier":"13.08_982.99","RT":"13.082","m/z":"982.99","Adduct":"","Molecular Formula":""},{"Metabolite":"13.52_955.97","Identifier":"13.52_955.97","RT":"13.519","m/z":"955.9715","Adduct":"","Molecular Formula":""},{"Metabolite":"13.58_966","Identifier":"13.58_966","RT":"13.585","m/z":"966.0007","Adduct":"","Molecular Formula":""},{"Metabolite":"13.69_119.04","Identifier":"13.69_119.04","RT":"13.686","m/z":"119.0363","Adduct":"","Molecular Formula":""}]
}

}