{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000457","ANALYSIS_ID":"AN000718","VERSION":"1","CREATED_ON":"September 8, 2016, 12:54 pm"},

"PROJECT":{"PROJECT_TITLE":"Metabolomics of Mice Cohousing and Microbiota Transfer","PROJECT_SUMMARY":"Metabolomics analysis was performed on twelve mice serum samples from Dr. Martin Blaser's laboratory at NYU school of medicine. Serum from week 15 mice were analyzed: (a) mice received low-dose antibiotics until week 4 (STAT), (b) mice received no antibiotics (control), (c) mice received low dose antibiotics (STAT) and then cohoused with control animals (STAT-coho), (d) mice received no antibiotics and then were cohoused with STAT animals (Control-coho). In this collaboration, we are interested in the metabolic differences among these groups.","INSTITUTE":"New York University","DEPARTMENT":"Langone Medical Center","LAST_NAME":"Blaser","FIRST_NAME":"Martin","ADDRESS":"550 First Avenue, BCD 689, New York, NY 10016","EMAIL":"martin.blaser@nyumc.edu","PHONE":"646-501-4386"},

"STUDY":{"STUDY_TITLE":"Metabolomics of Mice Cohousing and Microbiota Transfer","STUDY_SUMMARY":"The mice serum samples were extracted and prepared for a combined flow injection (FIA) and LC-MS/MS assay (Biocrates AbsoluteIDQ® p180 kit). The Biocrates AbsoluteIDQ® p180 kit (Biocrates Life Sciences AG, Innsbruck, Austria) can quantitatively measure ~188 biologically relevant metabolites from five analyte groups (acylcarnitines, amino acids, biogenic amines, glycerophospho- and sphingolipids, and hexoses) on a triple quadrupole mass spectrometer.","INSTITUTE":"RTI International","DEPARTMENT":"Discovery-Sciences-Technology (DST)","LABORATORY":"RTI Regional Comprehensive Metabolomics Resource Core (RTI RCMRC)","LAST_NAME":"Sumner","FIRST_NAME":"Susan","ADDRESS":"3040 E Cornwallis Road, Research Triangle Park, NC 27709","EMAIL":"ssumner@rti.org","PHONE":"919-541-7479","NUM_GROUPS":"4","TOTAL_SUBJECTS":"12"},

"SUBJECT":{"SUBJECT_TYPE":"Animal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"S111",
"Factors":{"Group":"Stat"},
"Additional sample data":{"ID":"S111_STAT","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_53_0_1_1_00_1010973191.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_53_1_1_1_00_1010973191.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_53_0_1_1_00_1010973191.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"TP01",
"Factors":{"Group":"Study Total Pool"},
"Additional sample data":{"ID":"Study TP","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_65_0_1_1_00_1010973202.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_65_1_1_1_00_1010973202.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_65_0_1_1_00_1010973202.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"C36",
"Factors":{"Group":"Control-COHO"},
"Additional sample data":{"ID":"C36_Control-COHO","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_77_0_1_1_00_1010973217.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_77_1_1_1_00_1010973217.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_77_0_1_1_00_1010973217.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"C35",
"Factors":{"Group":"Control-COHO"},
"Additional sample data":{"ID":"C35_Control-COHO","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_89_0_1_1_00_1010973221.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_89_1_1_1_00_1010973221.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_89_0_1_1_00_1010973221.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"S58",
"Factors":{"Group":"STAT-COHO"},
"Additional sample data":{"ID":"S58_STAT-COHO","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_06_0_1_1_00_1010973236.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_06_1_1_1_00_1010973236.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_06_0_1_1_00_1010973236.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"C42",
"Factors":{"Group":"Control-COHO"},
"Additional sample data":{"ID":"C42_Control-COHO","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_30_0_1_1_00_1010973255.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_30_1_1_1_00_1010973255.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_30_0_1_1_00_1010973255.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"S60",
"Factors":{"Group":"STAT-COHO"},
"Additional sample data":{"ID":"S60_STAT-COHO","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_42_0_1_1_00_1010973260.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_42_1_1_1_00_1010973260.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_42_0_1_1_00_1010973260.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"C97",
"Factors":{"Group":"Control"},
"Additional sample data":{"ID":"C97_Control","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_54_0_1_1_00_1010973274.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_54_1_1_1_00_1010973274.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_54_0_1_1_00_1010973274.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"S104",
"Factors":{"Group":"Stat"},
"Additional sample data":{"ID":"S104_STAT","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_66_0_1_1_00_1010973289.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_66_1_1_1_00_1010973289.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_66_0_1_1_00_1010973289.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"C38",
"Factors":{"Group":"Control"},
"Additional sample data":{"ID":"C38_Control","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_78_0_1_1_00_1010973293.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_78_1_1_1_00_1010973293.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_78_0_1_1_00_1010973293.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"TP02",
"Factors":{"Group":"Study Total Pool"},
"Additional sample data":{"ID":"Study TP","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_07_0_1_1_00_1010973319.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_07_1_1_1_00_1010973319.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_07_0_1_1_00_1010973319.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"C94",
"Factors":{"Group":"Control"},
"Additional sample data":{"ID":"C94_Control","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_19_0_1_1_00_1010973323.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_19_1_1_1_00_1010973323.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_19_0_1_1_00_1010973323.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"S56",
"Factors":{"Group":"STAT-COHO"},
"Additional sample data":{"ID":"S56_STAT-COHO","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_31_0_1_1_00_1010973338.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_31_1_1_1_00_1010973338.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_31_0_1_1_00_1010973338.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"TP03",
"Factors":{"Group":"Study Total Pool"},
"Additional sample data":{"ID":"Study TP","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_43_0_1_1_00_1010973342.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_43_1_1_1_00_1010973342.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_43_0_1_1_00_1010973342.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"S54",
"Factors":{"Group":"Stat"},
"Additional sample data":{"ID":"S54_STAT","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_55_0_1_1_00_1010973357.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_55_1_1_1_00_1010973357.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_55_0_1_1_00_1010973357.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"PBS_01",
"Factors":{"Group":"-"},
"Additional sample data":{"ID":"-","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_13_0_1_1_10_11000002.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_13_1_1_1_10_11000002.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_13_0_1_1_10_11000002.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"PBS_02",
"Factors":{"Group":"-"},
"Additional sample data":{"ID":"-","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_25_0_1_1_10_11000002.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_25_1_1_1_10_11000002.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_25_0_1_1_10_11000002.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"PBS_03",
"Factors":{"Group":"-"},
"Additional sample data":{"ID":"-","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_37_0_1_1_10_11000002.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_37_1_1_1_10_11000002.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_37_0_1_1_10_11000002.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"p180 Cal1",
"Factors":{"Group":"-"},
"Additional sample data":{"ID":"-","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_49_0_1_1_02_20000611.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_49_1_1_1_02_20000611.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_49_0_1_1_02_20000611.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"p180 Cal2",
"Factors":{"Group":"-"},
"Additional sample data":{"ID":"-","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_61_0_1_1_13_20000612.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_61_1_1_1_13_20000612.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_61_0_1_1_13_20000612.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"p180 Cal3",
"Factors":{"Group":"-"},
"Additional sample data":{"ID":"-","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_73_0_1_1_14_20000613.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_73_1_1_1_14_20000613.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_73_0_1_1_14_20000613.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"p180 Cal4",
"Factors":{"Group":"-"},
"Additional sample data":{"ID":"-","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_85_0_1_1_15_20000614.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_85_1_1_1_15_20000614.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_85_0_1_1_15_20000614.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"p180 Cal5",
"Factors":{"Group":"-"},
"Additional sample data":{"ID":"-","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_02_0_1_1_16_20000615.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_02_1_1_1_16_20000615.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_02_0_1_1_16_20000615.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"p180 Cal6",
"Factors":{"Group":"-"},
"Additional sample data":{"ID":"-","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_14_0_1_1_17_20000616.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_14_1_1_1_17_20000616.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_14_0_1_1_17_20000616.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"p180 Cal7",
"Factors":{"Group":"-"},
"Additional sample data":{"ID":"-","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_26_0_1_1_18_20000617.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_26_1_1_1_18_20000617.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_26_0_1_1_18_20000617.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"p180 QC1",
"Factors":{"Group":"-"},
"Additional sample data":{"ID":"-","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_38_0_1_1_03_493393.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_38_1_1_1_03_493393.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_38_0_1_1_03_493393.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"p180 QC2",
"Factors":{"Group":"-"},
"Additional sample data":{"ID":"-","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_50_0_1_1_04_493401.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_50_1_1_1_04_493401.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_50_0_1_1_04_493401.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"p180 QC3",
"Factors":{"Group":"-"},
"Additional sample data":{"ID":"-","Biocrates AbsoluteIDQ p180 KIT2 (LCMS) filename":"KIT2-0-5404_1010973769_62_0_1_1_05_493415.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- POS) filename":"KIT3-0-5404_1010973773_62_1_1_1_05_493415.wiff","Biocrates AbsoluteIDQ p180 KIT3 (FIA- NEG) filename":"KIT3-0-5404_1010973773_62_0_1_1_05_493415.wiff"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Serum was collected via standard operating procedures."},

"TREATMENT":{"TREATMENT_SUMMARY":"STAT - low dose antibiotics until week 4 STAT-COHO -STAT treated mice were cohoused with Control mice Control-COHO - Control mice were cohoused with STAT treated mice Control – No antibiotics"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Sample Preparation Prior to Biocrates p180 Kit Plate Analysis: Thawed serum samples were vortexed for 30 seconds. Whole study pooled QC samples were created by combining 10 µL aliquot from each of the study samples into a 2 mL LoBind eppendorf tube. This QC pooled sample was then vortexed for 30 sec. Then, three whole study pooled QC samples of 30 µL each were aliquoted into 2 mL LoBind eppendorf tubes. Study samples were generated by aliquoting 30 µL from each original sample vial into 2 mL LoBind eppendorf tubes. For extraction, 1,000 µL of cold 3:3:2 Acetonitrile:Isopropyl Alcohol:Water (v/v/v) was added to each tube and vortexed for 5 min at 4 °C. The samples were then centrifuged at 4 °C and at 14,000 rcf for 2 min. A 450 µL aliquot of the supernatant from each sample was transferred into pre-labeled 2.0 mL LoBind eppendorf tubes and stored at -80 °C. Samples were then dried on a lyophilizer overnigh. The residue was reconstituted in 30 µL of 85:15 Ethanol:Water, v/v, and vortexed. Then, the samples were centrifuged at 4 °C for 4 min at 16,000 rcf. Biocrates Plate Preparation: A Biocrates p180 kit was prepared following the AbsoluteIDQ™ p180 Kit metabolomics procedure. Briefly, an internal standard mix was added to 95 of the 96 wells. Next, zero samples, QC standards and calibration standards were added to their corresponding wells. The study samples and pooled QC Samples (20 µL) were then added to the appropriate wells and dried for 30 minutes under nitrogen flow. The plate was derivatized using a 5% phenylisothiocyanate (PITC) solution in (1:1:1) ethanol:pyridine:water (v/v/v) and, then, incubated for 20 minutes followed by a drying step under nitrogen flow. An extraction solvent (5 mM ammonium acetate in methanol) was added to all wells. The plate was then shaken and centrifuged. After centrifugation, 150 µL was removed and transferred to a second 96-well plate (LCMS plate). This second plate was diluted with 150 µL of HPLC grade water for a subsequent LCMS (MRM analysis) for measuring amino acids and biogenic amines. All wells in the original plate were diluted with 400 µL of flow injection analysis (FIA) Running Solvent for a FIA-MS (MRM analysis) for measuring lipids, acylcarnitines, and hexose."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent 1100","COLUMN_NAME":"Agilent Eclipse XDB-C18 (100 x 3.0mm,3.5um)"},

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

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"ABI Sciex API 4000 QTrap","INSTRUMENT_TYPE":"Triple quadrupole","MS_TYPE":"ESI","ION_MODE":"NEGATIVE"},

"MS_METABOLITE_DATA":{
"Units":"Intensity",

"Data":[{"Metabolite":"C0","S104":"30","C97":"36.6","p180 Cal1":"0.11","TP03":"33.6","S58":"28.4","p180 Cal7":"0.117","C94":"27.4","S54":"29.4","PBS_02":"0.802","p180 Cal4":"0.106","p180 QC3":"74.3","TP01":"28.3","S60":"25.8","p180 Cal5":"0.121","S56":"29.5","PBS_03":"0.807","C42":"33.2","C36":"24.2","S111":"34.7","TP02":"31.5","p180 Cal2":"0.112","PBS_01":"0.854","C38":"23.9","p180 QC1":"32.2","C35":"29","p180 Cal3":"0.102","p180 QC2":"62.1","p180 Cal6":"0.115"},{"Metabolite":"C10","S104":"0.062","C97":"0.069","p180 Cal1":"0.036","TP03":"0.067","S58":"0.069","p180 Cal7":"0.024","C94":"0.054","S54":"0.067","PBS_02":"0.027","p180 Cal4":"0.026","p180 QC3":"3.33","TP01":"0.056","S60":"0.061","p180 Cal5":"0.025","S56":"0.069","PBS_03":"0.026","C42":"0.056","C36":"0.061","S111":"0.063","TP02":"0.066","p180 Cal2":"0.038","PBS_01":"0.025","C38":"0.058","p180 QC1":"0.499","C35":"0.064","p180 Cal3":"0.037","p180 QC2":"2.22","p180 Cal6":"0.022"},{"Metabolite":"C10:1","S104":"0.083","C97":"0.091","p180 Cal1":"0.038","TP03":"0.092","S58":"0.118","p180 Cal7":"0.039","C94":"0.093","S54":"0.091","PBS_02":"0.033","p180 Cal4":"0.042","p180 QC3":"0.077","TP01":"0.084","S60":"0.085","p180 Cal5":"0.037","S56":"0.092","PBS_03":"0.033","C42":"0.074","C36":"0.108","S111":"0.116","TP02":"0.096","p180 Cal2":"0.038","PBS_01":"0.029","C38":"0.095","p180 QC1":"0.09","C35":"0.099","p180 Cal3":"0.048","p180 QC2":"0.107","p180 Cal6":"0.036"},{"Metabolite":"C10:2","S104":"0.025","C97":"0.028","p180 Cal1":"0.021","TP03":"0.027","S58":"0.028","p180 Cal7":"0.021","C94":"0.027","S54":"0.027","PBS_02":"0.008","p180 Cal4":"0.015","p180 QC3":"0.028","TP01":"0.024","S60":"0.023","p180 Cal5":"0.02","S56":"0.026","PBS_03":"0.008","C42":"0.025","C36":"0.026","S111":"0.027","TP02":"0.026","p180 Cal2":"0.017","PBS_01":"0.008","C38":"0.026","p180 QC1":"0.031","C35":"0.023","p180 Cal3":"0.02","p180 QC2":"0.03","p180 Cal6":"0.021"},{"Metabolite":"C12","S104":"0.038","C97":"0.036","p180 Cal1":"0.025","TP03":"0.044","S58":"0.054","p180 Cal7":"0.021","C94":"0.038","S54":"0.035","PBS_02":"0.025","p180 Cal4":"0.022","p180 QC3":"6.7","TP01":"0.041","S60":"0.031","p180 Cal5":"0.02","S56":"0.048","PBS_03":"0.025","C42":"0.037","C36":"0.043","S111":"0.043","TP02":"0.039","p180 Cal2":"0.027","PBS_01":"0.022","C38":"0.034","p180 QC1":"0.711","C35":"0.047","p180 Cal3":"0.03","p180 QC2":"4.36","p180 Cal6":"0.021"},{"Metabolite":"C12-DC","S104":"0.051","C97":"0.056","p180 Cal1":"0.057","TP03":"0.06","S58":"0.057","p180 Cal7":"0.048","C94":"0.057","S54":"0.059","PBS_02":"0.053","p180 Cal4":"0.055","p180 QC3":"0.033","TP01":"0.054","S60":"0.062","p180 Cal5":"0.053","S56":"0.056","PBS_03":"0.047","C42":"0.057","C36":"0.056","S111":"0.059","TP02":"0.056","p180 Cal2":"0.058","PBS_01":"0.05","C38":"0.055","p180 QC1":"0.046","C35":"0.053","p180 Cal3":"0.052","p180 QC2":"0.042","p180 Cal6":"0.051"},{"Metabolite":"C12:1","S104":"0.091","C97":"0.087","p180 Cal1":"0.037","TP03":"0.087","S58":"0.119","p180 Cal7":"0.026","C94":"0.084","S54":"0.088","PBS_02":"0.031","p180 Cal4":"0.032","p180 QC3":"0.048","TP01":"0.082","S60":"0.091","p180 Cal5":"0.023","S56":"0.086","PBS_03":"0.026","C42":"0.08","C36":"0.105","S111":"0.1","TP02":"0.094","p180 Cal2":"0.034","PBS_01":"0.031","C38":"0.086","p180 QC1":"0.054","C35":"0.104","p180 Cal3":"0.039","p180 QC2":"0.062","p180 Cal6":"0.025"},{"Metabolite":"C14","S104":"0.049","C97":"0.052","p180 Cal1":"0.021","TP03":"0.063","S58":"0.079","p180 Cal7":"0.02","C94":"0.052","S54":"0.05","PBS_02":"0.012","p180 Cal4":"0.022","p180 QC3":"3.92","TP01":"0.062","S60":"0.049","p180 Cal5":"0.019","S56":"0.075","PBS_03":"0.013","C42":"0.048","C36":"0.064","S111":"0.059","TP02":"0.059","p180 Cal2":"0.021","PBS_01":"0.01","C38":"0.05","p180 QC1":"0.896","C35":"0.088","p180 Cal3":"0.019","p180 QC2":"2.52","p180 Cal6":"0.02"},{"Metabolite":"C14:1","S104":"0.049","C97":"0.037","p180 Cal1":"0.004","TP03":"0.058","S58":"0.071","p180 Cal7":"0.003","C94":"0.051","S54":"0.043","PBS_02":"0.002","p180 Cal4":"0.005","p180 QC3":"0.058","TP01":"0.049","S60":"0.041","p180 Cal5":"0.004","S56":"0.076","PBS_03":"0.003","C42":"0.035","C36":"0.059","S111":"0.057","TP02":"0.049","p180 Cal2":"0.007","PBS_01":"0.004","C38":"0.04","p180 QC1":"0.066","C35":"0.064","p180 Cal3":"0.003","p180 QC2":"0.074","p180 Cal6":"0.004"},{"Metabolite":"C14:1-OH","S104":"0.013","C97":"0.011","p180 Cal1":"0.006","TP03":"0.011","S58":"0.014","p180 Cal7":"0.006","C94":"0.01","S54":"0.011","PBS_02":"0.003","p180 Cal4":"0.004","p180 QC3":"0.021","TP01":"0.012","S60":"0.01","p180 Cal5":"0.006","S56":"0.013","PBS_03":"0.003","C42":"0.01","C36":"0.014","S111":"0.01","TP02":"0.015","p180 Cal2":"0.006","PBS_01":"0.003","C38":"0.01","p180 QC1":"0.014","C35":"0.015","p180 Cal3":"0.007","p180 QC2":"0.015","p180 Cal6":"0.006"},{"Metabolite":"C14:2","S104":"0.015","C97":"0.013","p180 Cal1":"0.003","TP03":"0.021","S58":"0.028","p180 Cal7":"0.003","C94":"0.019","S54":"0.018","PBS_02":"0.003","p180 Cal4":"0.002","p180 QC3":"0.017","TP01":"0.021","S60":"0.015","p180 Cal5":"0.002","S56":"0.028","PBS_03":"0.002","C42":"0.015","C36":"0.024","S111":"0.02","TP02":"0.019","p180 Cal2":"0.007","PBS_01":"0.003","C38":"0.018","p180 QC1":"0.029","C35":"0.024","p180 Cal3":"0.006","p180 QC2":"0.024","p180 Cal6":"0.002"},{"Metabolite":"C14:2-OH","S104":"0.013","C97":"0.015","p180 Cal1":"0.024","TP03":"0.011","S58":"0.013","p180 Cal7":"0.022","C94":"0.012","S54":"0.012","PBS_02":"0.009","p180 Cal4":"0.027","p180 QC3":"0.011","TP01":"0.011","S60":"0.012","p180 Cal5":"0.023","S56":"0.013","PBS_03":"0.007","C42":"0.011","C36":"0.011","S111":"0.013","TP02":"0.015","p180 Cal2":"0.026","PBS_01":"0.008","C38":"0.01","p180 QC1":"0.01","C35":"0.014","p180 Cal3":"0.033","p180 QC2":"0.013","p180 Cal6":"0.019"},{"Metabolite":"C16","S104":"0.133","C97":"0.163","p180 Cal1":"0.007","TP03":"0.151","S58":"0.166","p180 Cal7":"0.008","C94":"0.126","S54":"0.128","PBS_02":"0.005","p180 Cal4":"0.005","p180 QC3":"6.66","TP01":"0.136","S60":"0.133","p180 Cal5":"0.006","S56":"0.143","PBS_03":"0.005","C42":"0.127","C36":"0.12","S111":"0.131","TP02":"0.148","p180 Cal2":"0.008","PBS_01":"0.004","C38":"0.11","p180 QC1":"0.786","C35":"0.203","p180 Cal3":"0.007","p180 QC2":"4.26","p180 Cal6":"0.007"},{"Metabolite":"C16-OH","S104":"0.02","C97":"0.025","p180 Cal1":"0.006","TP03":"0.023","S58":"0.022","p180 Cal7":"0.006","C94":"0.018","S54":"0.024","PBS_02":"0.002","p180 Cal4":"0.005","p180 QC3":"0.009","TP01":"0.018","S60":"0.022","p180 Cal5":"0.006","S56":"0.023","PBS_03":"0.004","C42":"0.02","C36":"0.018","S111":"0.019","TP02":"0.022","p180 Cal2":"0.005","PBS_01":"0.003","C38":"0.018","p180 QC1":"0.008","C35":"0.023","p180 Cal3":"0.004","p180 QC2":"0.01","p180 Cal6":"0.005"},{"Metabolite":"C16:1","S104":"0.047","C97":"0.048","p180 Cal1":"0.051","TP03":"0.051","S58":"0.061","p180 Cal7":"0.044","C94":"0.054","S54":"0.048","PBS_02":"0.017","p180 Cal4":"0.042","p180 QC3":"0.03","TP01":"0.047","S60":"0.048","p180 Cal5":"0.04","S56":"0.058","PBS_03":"0.022","C42":"0.045","C36":"0.053","S111":"0.057","TP02":"0.049","p180 Cal2":"0.05","PBS_01":"0.019","C38":"0.046","p180 QC1":"0.038","C35":"0.061","p180 Cal3":"0.046","p180 QC2":"0.039","p180 Cal6":"0.04"},{"Metabolite":"C16:1-OH","S104":"0.016","C97":"0.014","p180 Cal1":"0.005","TP03":"0.016","S58":"0.015","p180 Cal7":"0.007","C94":"0.014","S54":"0.017","PBS_02":"0.006","p180 Cal4":"0.005","p180 QC3":"0.013","TP01":"0.015","S60":"0.014","p180 Cal5":"0.006","S56":"0.012","PBS_03":"0.003","C42":"0.016","C36":"0.014","S111":"0.017","TP02":"0.014","p180 Cal2":"0.005","PBS_01":"0.004","C38":"0.014","p180 QC1":"0.012","C35":"0.016","p180 Cal3":"0.005","p180 QC2":"0.016","p180 Cal6":"0.005"},{"Metabolite":"C16:2","S104":"0.016","C97":"0.012","p180 Cal1":"0.009","TP03":"0.015","S58":"0.023","p180 Cal7":"0.007","C94":"0.016","S54":"0.012","PBS_02":"0.004","p180 Cal4":"0.004","p180 QC3":"0.009","TP01":"0.017","S60":"0.015","p180 Cal5":"0.005","S56":"0.018","PBS_03":"0.004","C42":"0.015","C36":"0.019","S111":"0.02","TP02":"0.02","p180 Cal2":"0.007","PBS_01":"0.005","C38":"0.015","p180 QC1":"0.01","C35":"0.018","p180 Cal3":"0.006","p180 QC2":"0.008","p180 Cal6":"0.005"},{"Metabolite":"C16:2-OH","S104":"0.022","C97":"0.024","p180 Cal1":"0.015","TP03":"0.021","S58":"0.021","p180 Cal7":"0.018","C94":"0.019","S54":"0.023","PBS_02":"0.016","p180 Cal4":"0.019","p180 QC3":"0.02","TP01":"0.019","S60":"0.023","p180 Cal5":"0.015","S56":"0.02","PBS_03":"0.02","C42":"0.018","C36":"0.023","S111":"0.021","TP02":"0.021","p180 Cal2":"0.02","PBS_01":"0.017","C38":"0.019","p180 QC1":"0.023","C35":"0.025","p180 Cal3":"0.021","p180 QC2":"0.029","p180 Cal6":"0.016"},{"Metabolite":"C18","S104":"0.05","C97":"0.051","p180 Cal1":"0.008","TP03":"0.047","S58":"0.051","p180 Cal7":"0.007","C94":"0.06","S54":"0.043","PBS_02":"0.004","p180 Cal4":"0.007","p180 QC3":"3.91","TP01":"0.039","S60":"0.039","p180 Cal5":"0.004","S56":"0.049","PBS_03":"0.006","C42":"0.041","C36":"0.034","S111":"0.054","TP02":"0.04","p180 Cal2":"0.005","PBS_01":"0.004","C38":"0.047","p180 QC1":"0.806","C35":"0.046","p180 Cal3":"0.009","p180 QC2":"2.37","p180 Cal6":"0.004"},{"Metabolite":"C18:1","S104":"0.143","C97":"0.14","p180 Cal1":"0.021","TP03":"0.158","S58":"0.178","p180 Cal7":"0.004","C94":"0.126","S54":"0.128","PBS_02":"0.01","p180 Cal4":"0.009","p180 QC3":"0.066","TP01":"0.131","S60":"0.121","p180 Cal5":"0.009","S56":"0.168","PBS_03":"0.008","C42":"0.112","C36":"0.146","S111":"0.151","TP02":"0.151","p180 Cal2":"0.014","PBS_01":"0.009","C38":"0.117","p180 QC1":"0.086","C35":"0.192","p180 Cal3":"0.013","p180 QC2":"0.09","p180 Cal6":"0.008"},{"Metabolite":"C18:1-OH","S104":"0.02","C97":"0.017","p180 Cal1":"0.016","TP03":"0.024","S58":"0.025","p180 Cal7":"0.017","C94":"0.02","S54":"0.024","PBS_02":"0.012","p180 Cal4":"0.016","p180 QC3":"0.016","TP01":"0.02","S60":"0.026","p180 Cal5":"0.013","S56":"0.025","PBS_03":"0.011","C42":"0.02","C36":"0.025","S111":"0.018","TP02":"0.021","p180 Cal2":"0.018","PBS_01":"0.013","C38":"0.018","p180 QC1":"0.017","C35":"0.028","p180 Cal3":"0.019","p180 QC2":"0.015","p180 Cal6":"0.013"},{"Metabolite":"C18:2","S104":"0.08","C97":"0.075","p180 Cal1":"0.006","TP03":"0.1","S58":"0.115","p180 Cal7":"0.004","C94":"0.087","S54":"0.081","PBS_02":"0.005","p180 Cal4":"0.006","p180 QC3":"0.043","TP01":"0.078","S60":"0.073","p180 Cal5":"0.005","S56":"0.104","PBS_03":"0.006","C42":"0.067","C36":"0.083","S111":"0.094","TP02":"0.091","p180 Cal2":"0.007","PBS_01":"0.004","C38":"0.072","p180 QC1":"0.049","C35":"0.108","p180 Cal3":"0.006","p180 QC2":"0.051","p180 Cal6":"0.005"},{"Metabolite":"C2","S104":"10.1","C97":"13.6","p180 Cal1":"0.025","TP03":"14.7","S58":"20.7","p180 Cal7":"0.026","C94":"12.3","S54":"11.2","PBS_02":"0.03","p180 Cal4":"0.022","p180 QC3":"17.3","TP01":"12.4","S60":"8.28","p180 Cal5":"0.019","S56":"18.8","PBS_03":"0.033","C42":"12.1","C36":"13.8","S111":"16.2","TP02":"14.5","p180 Cal2":"0.026","PBS_01":"0.03","C38":"12.1","p180 QC1":"4.28","C35":"11.7","p180 Cal3":"0.032","p180 QC2":"13","p180 Cal6":"0.024"},{"Metabolite":"C3","S104":"0.389","C97":"0.427","p180 Cal1":"0.009","TP03":"0.546","S58":"0.406","p180 Cal7":"0.011","C94":"0.33","S54":"0.436","PBS_02":"0.012","p180 Cal4":"0.012","p180 QC3":"7.73","TP01":"0.463","S60":"0.45","p180 Cal5":"0.011","S56":"0.59","PBS_03":"0.008","C42":"0.699","C36":"0.61","S111":"0.39","TP02":"0.514","p180 Cal2":"0.008","PBS_01":"0.012","C38":"0.415","p180 QC1":"0.722","C35":"0.757","p180 Cal3":"0.013","p180 QC2":"4.97","p180 Cal6":"0.011"},{"Metabolite":"C3-DC (C4-OH)","S104":"0.054","C97":"0.136","p180 Cal1":"0.025","TP03":"0.126","S58":"0.115","p180 Cal7":"0.023","C94":"0.13","S54":"0.119","PBS_02":"0.013","p180 Cal4":"0.017","p180 QC3":"0.018","TP01":"0.092","S60":"0.057","p180 Cal5":"0.017","S56":"0.121","PBS_03":"0.012","C42":"0.094","C36":"0.094","S111":"0.114","TP02":"0.108","p180 Cal2":"0.018","PBS_01":"0.009","C38":"0.062","p180 QC1":"0.055","C35":"0.145","p180 Cal3":"0.024","p180 QC2":"0.039","p180 Cal6":"0.016"},{"Metabolite":"C3-OH","S104":"0.013","C97":"0.014","p180 Cal1":"0.008","TP03":"0.011","S58":"0.011","p180 Cal7":"0.011","C94":"0.012","S54":"0.011","PBS_02":"0.011","p180 Cal4":"0.009","p180 QC3":"0.002","TP01":"0.01","S60":"0.012","p180 Cal5":"0.008","S56":"0.012","PBS_03":"0.008","C42":"0.01","C36":"0.01","S111":"0.012","TP02":"0.014","p180 Cal2":"0.009","PBS_01":"0.01","C38":"0.011","p180 QC1":"0.008","C35":"0.01","p180 Cal3":"0.01","p180 QC2":"0.006","p180 Cal6":"0.01"},{"Metabolite":"C3:1","S104":"0.018","C97":"0.016","p180 Cal1":"0.008","TP03":"0.011","S58":"0.016","p180 Cal7":"0.006","C94":"0.014","S54":"0.012","PBS_02":"0.008","p180 Cal4":"0.006","p180 QC3":"0.007","TP01":"0.011","S60":"0.012","p180 Cal5":"0.006","S56":"0.013","PBS_03":"0.008","C42":"0.016","C36":"0.017","S111":"0.013","TP02":"0.018","p180 Cal2":"0.007","PBS_01":"0.009","C38":"0.01","p180 QC1":"0.009","C35":"0.011","p180 Cal3":"0.007","p180 QC2":"0.008","p180 Cal6":"0.006"},{"Metabolite":"C4","S104":"0.311","C97":"0.42","p180 Cal1":"0.022","TP03":"0.442","S58":"0.448","p180 Cal7":"0.013","C94":"0.346","S54":"0.354","PBS_02":"0.016","p180 Cal4":"0.011","p180 QC3":"7.13","TP01":"0.388","S60":"0.337","p180 Cal5":"0.012","S56":"0.499","PBS_03":"0.012","C42":"0.651","C36":"0.491","S111":"0.407","TP02":"0.423","p180 Cal2":"0.021","PBS_01":"0.01","C38":"0.324","p180 QC1":"0.736","C35":"0.467","p180 Cal3":"0.022","p180 QC2":"4.46","p180 Cal6":"0.01"},{"Metabolite":"C4:1","S104":"0.021","C97":"0.024","p180 Cal1":"0.012","TP03":"0.022","S58":"0.024","p180 Cal7":"0.01","C94":"0.021","S54":"0.017","PBS_02":"0.012","p180 Cal4":"0.012","p180 QC3":"0.027","TP01":"0.017","S60":"0.021","p180 Cal5":"0.011","S56":"0.021","PBS_03":"0.01","C42":"0.021","C36":"0.018","S111":"0.02","TP02":"0.023","p180 Cal2":"0.012","PBS_01":"0.012","C38":"0.018","p180 QC1":"0.02","C35":"0.025","p180 Cal3":"0.012","p180 QC2":"0.023","p180 Cal6":"0.011"},{"Metabolite":"C6 (C4:1-DC)","S104":"0.063","C97":"0.046","p180 Cal1":"0.033","TP03":"0.077","S58":"0.101","p180 Cal7":"0.031","C94":"0.073","S54":"0.065","PBS_02":"0.011","p180 Cal4":"0.036","p180 QC3":"3.69","TP01":"0.069","S60":"0.052","p180 Cal5":"0.029","S56":"0.095","PBS_03":"0.008","C42":"0.055","C36":"0.08","S111":"0.092","TP02":"0.086","p180 Cal2":"0.036","PBS_01":"0.011","C38":"0.075","p180 QC1":"0.38","C35":"0.075","p180 Cal3":"0.036","p180 QC2":"2.33","p180 Cal6":"0.03"},{"Metabolite":"C5","S104":"0.096","C97":"0.103","p180 Cal1":"0.015","TP03":"0.119","S58":"0.1","p180 Cal7":"0.02","C94":"0.1","S54":"0.101","PBS_02":"0.029","p180 Cal4":"0.021","p180 QC3":"7.97","TP01":"0.094","S60":"0.139","p180 Cal5":"0.014","S56":"0.125","PBS_03":"0.021","C42":"0.139","C36":"0.139","S111":"0.101","TP02":"0.125","p180 Cal2":"0.019","PBS_01":"0.028","C38":"0.083","p180 QC1":"0.833","C35":"0.178","p180 Cal3":"0.019","p180 QC2":"4.92","p180 Cal6":"0.015"},{"Metabolite":"C5-M-DC","S104":"0.031","C97":"0.036","p180 Cal1":"0.046","TP03":"0.036","S58":"0.037","p180 Cal7":"0.026","C94":"0.03","S54":"0.036","PBS_02":"0.026","p180 Cal4":"0.021","p180 QC3":"0","TP01":"0.033","S60":"0.037","p180 Cal5":"0.021","S56":"0.029","PBS_03":"0.026","C42":"0.032","C36":"0.03","S111":"0.037","TP02":"0.038","p180 Cal2":"0.039","PBS_01":"0.028","C38":"0.036","p180 QC1":"0.025","C35":"0.032","p180 Cal3":"0.022","p180 QC2":"0.011","p180 Cal6":"0.022"},{"Metabolite":"C5-OH (C3-DC-M)","S104":"0.157","C97":"0.18","p180 Cal1":"0.194","TP03":"0.178","S58":"0.189","p180 Cal7":"0.135","C94":"0.142","S54":"0.133","PBS_02":"0.239","p180 Cal4":"0.108","p180 QC3":"0.125","TP01":"0.142","S60":"0.171","p180 Cal5":"0.104","S56":"0.169","PBS_03":"0.207","C42":"0.165","C36":"0.148","S111":"0.178","TP02":"0.177","p180 Cal2":"0.141","PBS_01":"0.226","C38":"0.148","p180 QC1":"0.148","C35":"0.17","p180 Cal3":"0.125","p180 QC2":"0.155","p180 Cal6":"0.134"},{"Metabolite":"C5:1","S104":"0.026","C97":"0.037","p180 Cal1":"0.04","TP03":"0.03","S58":"0.036","p180 Cal7":"0.032","C94":"0.035","S54":"0.027","PBS_02":"0.023","p180 Cal4":"0.039","p180 QC3":"0.039","TP01":"0.025","S60":"0.034","p180 Cal5":"0.028","S56":"0.037","PBS_03":"0.023","C42":"0.041","C36":"0.046","S111":"0.029","TP02":"0.033","p180 Cal2":"0.038","PBS_01":"0.025","C38":"0.029","p180 QC1":"0.045","C35":"0.031","p180 Cal3":"0.044","p180 QC2":"0.041","p180 Cal6":"0.033"},{"Metabolite":"C5:1-DC","S104":"0.018","C97":"0.022","p180 Cal1":"0.008","TP03":"0.015","S58":"0.015","p180 Cal7":"0.004","C94":"0.013","S54":"0.008","PBS_02":"0.006","p180 Cal4":"0.006","p180 QC3":"0.016","TP01":"0.013","S60":"0.016","p180 Cal5":"0.005","S56":"0.017","PBS_03":"0.005","C42":"0.013","C36":"0.015","S111":"0.013","TP02":"0.018","p180 Cal2":"0.008","PBS_01":"0.004","C38":"0.012","p180 QC1":"0.011","C35":"0.014","p180 Cal3":"0.007","p180 QC2":"0.012","p180 Cal6":"0.005"},{"Metabolite":"C5-DC (C6-OH)","S104":"0.014","C97":"0.018","p180 Cal1":"0.009","TP03":"0.018","S58":"0.019","p180 Cal7":"0.011","C94":"0.012","S54":"0.012","PBS_02":"0.007","p180 Cal4":"0.012","p180 QC3":"0.012","TP01":"0.011","S60":"0.018","p180 Cal5":"0.007","S56":"0.016","PBS_03":"0.007","C42":"0.014","C36":"0.012","S111":"0.016","TP02":"0.02","p180 Cal2":"0.01","PBS_01":"0.007","C38":"0.013","p180 QC1":"0.02","C35":"0.022","p180 Cal3":"0.013","p180 QC2":"0.018","p180 Cal6":"0.01"},{"Metabolite":"C6:1","S104":"0.015","C97":"0.017","p180 Cal1":"0.007","TP03":"0.014","S58":"0.021","p180 Cal7":"0.142","C94":"0.015","S54":"0.013","PBS_02":"0.008","p180 Cal4":"0.032","p180 QC3":"0.011","TP01":"0.015","S60":"0.014","p180 Cal5":"0.055","S56":"0.021","PBS_03":"0.008","C42":"0.016","C36":"0.016","S111":"0.017","TP02":"0.016","p180 Cal2":"0.007","PBS_01":"0.007","C38":"0.017","p180 QC1":"0.011","C35":"0.015","p180 Cal3":"0.019","p180 QC2":"0.016","p180 Cal6":"0.091"},{"Metabolite":"C7-DC","S104":"0.021","C97":"0.022","p180 Cal1":"0.013","TP03":"0.022","S58":"0.028","p180 Cal7":"0.008","C94":"0.022","S54":"0.022","PBS_02":"0.006","p180 Cal4":"0.01","p180 QC3":"0.014","TP01":"0.019","S60":"0.024","p180 Cal5":"0.008","S56":"0.019","PBS_03":"0.006","C42":"0.023","C36":"0.026","S111":"0.025","TP02":"0.028","p180 Cal2":"0.011","PBS_01":"0.007","C38":"0.021","p180 QC1":"0.017","C35":"0.023","p180 Cal3":"0.014","p180 QC2":"0.018","p180 Cal6":"0.007"},{"Metabolite":"C8","S104":"0.087","C97":"0.076","p180 Cal1":"0.066","TP03":"0.083","S58":"0.084","p180 Cal7":"0.05","C94":"0.064","S54":"0.083","PBS_02":"0.036","p180 Cal4":"0.063","p180 QC3":"4.89","TP01":"0.061","S60":"0.078","p180 Cal5":"0.053","S56":"0.084","PBS_03":"0.033","C42":"0.066","C36":"0.08","S111":"0.075","TP02":"0.084","p180 Cal2":"0.068","PBS_01":"0.035","C38":"0.072","p180 QC1":"0.346","C35":"0.084","p180 Cal3":"0.065","p180 QC2":"2.98","p180 Cal6":"0.052"},{"Metabolite":"C9","S104":"0.008","C97":"0.009","p180 Cal1":"0.022","TP03":"0.007","S58":"0.007","p180 Cal7":"0.017","C94":"0.009","S54":"0.01","PBS_02":"0.004","p180 Cal4":"0.017","p180 QC3":"0.019","TP01":"0.006","S60":"0.008","p180 Cal5":"0.013","S56":"0.01","PBS_03":"0.006","C42":"0.009","C36":"0.006","S111":"0.008","TP02":"0.009","p180 Cal2":"0.022","PBS_01":"0.006","C38":"0.009","p180 QC1":"0.013","C35":"0.008","p180 Cal3":"0.024","p180 QC2":"0.022","p180 Cal6":"0.013"},{"Metabolite":"Ala","S104":"333","C97":"417","p180 Cal1":"20.8","TP03":"350","S58":"204","p180 Cal7":"1610","C94":"337","S54":"350","PBS_02":"0.148","p180 Cal4":"382","p180 QC3":"1000","TP01":"321","S60":"324","p180 Cal5":"861","S56":"249","PBS_03":"0","C42":"389","C36":"248","S111":"277","TP02":"346","p180 Cal2":"40.2","PBS_01":"0.197","C38":"234","p180 QC1":"315","C35":"413","p180 Cal3":"190","p180 QC2":"679","p180 Cal6":"1160"},{"Metabolite":"Arg","S104":"119","C97":"159","p180 Cal1":"5.06","TP03":"137","S58":"122","p180 Cal7":"339","C94":"139","S54":"119","PBS_02":"0.075","p180 Cal4":"107","p180 QC3":"214","TP01":"119","S60":"121","p180 Cal5":"219","S56":"115","PBS_03":"0.031","C42":"141","C36":"108","S111":"116","TP02":"134","p180 Cal2":"9.64","PBS_01":"0.157","C38":"95","p180 QC1":"93.7","C35":"126","p180 Cal3":"52.1","p180 QC2":"181","p180 Cal6":"274"},{"Metabolite":"Asn","S104":"35.3","C97":"40.8","p180 Cal1":"5.25","TP03":"37","S58":"23.1","p180 Cal7":"406","C94":"33.2","S54":"35.5","PBS_02":"0.666","p180 Cal4":"104","p180 QC3":"239","TP01":"32.1","S60":"43.5","p180 Cal5":"209","S56":"26.8","PBS_03":"0.742","C42":"31.9","C36":"26.1","S111":"24.1","TP02":"36","p180 Cal2":"9.87","PBS_01":"0.649","C38":"25.9","p180 QC1":"17.7","C35":"67.1","p180 Cal3":"45.6","p180 QC2":"138","p180 Cal6":"286"},{"Metabolite":"Asp","S104":"15.7","C97":"11.1","p180 Cal1":"3.52","TP03":"17.6","S58":"9.7","p180 Cal7":"375","C94":"10.5","S54":"9.38","PBS_02":"1.25","p180 Cal4":"92.5","p180 QC3":"273","TP01":"11.4","S60":"18.3","p180 Cal5":"250","S56":"10.2","PBS_03":"1.7","C42":"19.9","C36":"12.1","S111":"10.3","TP02":"17.7","p180 Cal2":"11.8","PBS_01":"1.37","C38":"13.5","p180 QC1":"14.8","C35":"17.4","p180 Cal3":"53.7","p180 QC2":"146","p180 Cal6":"279"},{"Metabolite":"Cit","S104":"58.4","C97":"64.6","p180 Cal1":"5.14","TP03":"61.5","S58":"51.5","p180 Cal7":"402","C94":"54.9","S54":"45.7","PBS_02":"0","p180 Cal4":"93.9","p180 QC3":"269","TP01":"53.2","S60":"56.3","p180 Cal5":"218","S56":"55.1","PBS_03":"0","C42":"65.4","C36":"53.7","S111":"45.8","TP02":"56.9","p180 Cal2":"10.2","PBS_01":"0.047","C38":"46.7","p180 QC1":"24.9","C35":"76.4","p180 Cal3":"47.9","p180 QC2":"137","p180 Cal6":"288"},{"Metabolite":"Gln","S104":"548","C97":"822","p180 Cal1":"19.5","TP03":"641","S58":"659","p180 Cal7":"1600","C94":"606","S54":"609","PBS_02":"0","p180 Cal4":"403","p180 QC3":"867","TP01":"574","S60":"516","p180 Cal5":"764","S56":"622","PBS_03":"0","C42":"638","C36":"586","S111":"523","TP02":"630","p180 Cal2":"39.5","PBS_01":"0","C38":"465","p180 QC1":"303","C35":"751","p180 Cal3":"212","p180 QC2":"677","p180 Cal6":"1230"},{"Metabolite":"Glu","S104":"46.5","C97":"37.5","p180 Cal1":"8.54","TP03":"51.5","S58":"35.8","p180 Cal7":"764","C94":"31.8","S54":"30.3","PBS_02":"0.474","p180 Cal4":"208","p180 QC3":"517","TP01":"44.1","S60":"55.8","p180 Cal5":"447","S56":"29.9","PBS_03":"0.476","C42":"59.6","C36":"45.2","S111":"33.6","TP02":"49.5","p180 Cal2":"20.4","PBS_01":"0.584","C38":"43.3","p180 QC1":"179","C35":"77.8","p180 Cal3":"106","p180 QC2":"384","p180 Cal6":"576"},{"Metabolite":"Gly","S104":"210","C97":"220","p180 Cal1":"24.9","TP03":"217","S58":"151","p180 Cal7":"2030","C94":"173","S54":"204","PBS_02":"0","p180 Cal4":"510","p180 QC3":"1170","TP01":"192","S60":"226","p180 Cal5":"991","S56":"179","PBS_03":"0","C42":"199","C36":"193","S111":"191","TP02":"209","p180 Cal2":"48.3","PBS_01":"0","C38":"147","p180 QC1":"205","C35":"294","p180 Cal3":"260","p180 QC2":"850","p180 Cal6":"1460"},{"Metabolite":"His","S104":"53.8","C97":"63.7","p180 Cal1":"5.13","TP03":"63.9","S58":"53.4","p180 Cal7":"408","C94":"54.2","S54":"50.7","PBS_02":"0","p180 Cal4":"102","p180 QC3":"236","TP01":"55.7","S60":"53.5","p180 Cal5":"205","S56":"59.4","PBS_03":"0","C42":"71.7","C36":"53.8","S111":"55.6","TP02":"60.8","p180 Cal2":"9.61","PBS_01":"0","C38":"45.6","p180 QC1":"67.6","C35":"80.1","p180 Cal3":"49.9","p180 QC2":"181","p180 Cal6":"285"},{"Metabolite":"Ile","S104":"66.1","C97":"94.3","p180 Cal1":"5.03","TP03":"69.9","S58":"53.7","p180 Cal7":"380","C94":"65","S54":"59.2","PBS_02":"0.037","p180 Cal4":"102","p180 QC3":"241","TP01":"61.9","S60":"72.9","p180 Cal5":"228","S56":"74.3","PBS_03":"0","C42":"76.3","C36":"69.8","S111":"57.7","TP02":"70.1","p180 Cal2":"8.92","PBS_01":"0.026","C38":"43.9","p180 QC1":"67.1","C35":"60.9","p180 Cal3":"51.3","p180 QC2":"182","p180 Cal6":"290"},{"Metabolite":"Leu","S104":"105","C97":"149","p180 Cal1":"5.49","TP03":"118","S58":"92.2","p180 Cal7":"368","C94":"107","S54":"96.5","PBS_02":"0","p180 Cal4":"93.9","p180 QC3":"238","TP01":"101","S60":"114","p180 Cal5":"254","S56":"117","PBS_03":"0","C42":"133","C36":"113","S111":"98","TP02":"109","p180 Cal2":"8.69","PBS_01":"0","C38":"74.2","p180 QC1":"120","C35":"96.6","p180 Cal3":"47.1","p180 QC2":"205","p180 Cal6":"288"},{"Metabolite":"Lys","S104":"257","C97":"351","p180 Cal1":"8.68","TP03":"254","S58":"167","p180 Cal7":"780","C94":"250","S54":"252","PBS_02":"0","p180 Cal4":"213","p180 QC3":"465","TP01":"232","S60":"285","p180 Cal5":"404","S56":"227","PBS_03":"0","C42":"271","C36":"193","S111":"233","TP02":"260","p180 Cal2":"21.3","PBS_01":"0","C38":"170","p180 QC1":"176","C35":"232","p180 Cal3":"101","p180 QC2":"390","p180 Cal6":"601"},{"Metabolite":"Met","S104":"59.7","C97":"93.5","p180 Cal1":"4.9","TP03":"78.9","S58":"41.6","p180 Cal7":"372","C94":"92.3","S54":"131","PBS_02":"0.028","p180 Cal4":"106","p180 QC3":"242","TP01":"67.5","S60":"90","p180 Cal5":"225","S56":"55.7","PBS_03":"0.019","C42":"93.5","C36":"58.1","S111":"51.9","TP02":"84.9","p180 Cal2":"9.53","PBS_01":"0.718","C38":"48.5","p180 QC1":"22","C35":"93.8","p180 Cal3":"47.9","p180 QC2":"163","p180 Cal6":"301"},{"Metabolite":"Orn","S104":"49.9","C97":"65.4","p180 Cal1":"4.94","TP03":"46.6","S58":"29.6","p180 Cal7":"389","C94":"40.5","S54":"46.6","PBS_02":"0","p180 Cal4":"100","p180 QC3":"215","TP01":"41.9","S60":"50.7","p180 Cal5":"192","S56":"35.6","PBS_03":"0","C42":"56.1","C36":"31.5","S111":"33.9","TP02":"47","p180 Cal2":"10.4","PBS_01":"0","C38":"27.3","p180 QC1":"46.7","C35":"50.1","p180 Cal3":"48.3","p180 QC2":"161","p180 Cal6":"320"},{"Metabolite":"Phe","S104":"53.4","C97":"67.9","p180 Cal1":"4.51","TP03":"68.4","S58":"52.9","p180 Cal7":"373","C94":"60.6","S54":"56","PBS_02":"0","p180 Cal4":"103","p180 QC3":"233","TP01":"57.2","S60":"64.9","p180 Cal5":"229","S56":"62.5","PBS_03":"0","C42":"72.2","C36":"61.2","S111":"50.2","TP02":"64.2","p180 Cal2":"9.56","PBS_01":"0","C38":"45","p180 QC1":"60.9","C35":"85.3","p180 Cal3":"52.9","p180 QC2":"183","p180 Cal6":"294"},{"Metabolite":"Pro","S104":"83","C97":"109","p180 Cal1":"8.59","TP03":"95.8","S58":"63.5","p180 Cal7":"756","C94":"90.9","S54":"107","PBS_02":"0","p180 Cal4":"238","p180 QC3":"464","TP01":"86.9","S60":"108","p180 Cal5":"428","S56":"78.4","PBS_03":"0","C42":"116","C36":"81.1","S111":"65","TP02":"98.2","p180 Cal2":"17.6","PBS_01":"0","C38":"64","p180 QC1":"189","C35":"132","p180 Cal3":"110","p180 QC2":"391","p180 Cal6":"572"},{"Metabolite":"Ser","S104":"108","C97":"133","p180 Cal1":"5.48","TP03":"122","S58":"93.7","p180 Cal7":"388","C94":"111","S54":"112","PBS_02":"0.677","p180 Cal4":"94","p180 QC3":"235","TP01":"107","S60":"120","p180 Cal5":"225","S56":"94.8","PBS_03":"0.353","C42":"118","C36":"100","S111":"99.7","TP02":"115","p180 Cal2":"10","PBS_01":"1.72","C38":"76.3","p180 QC1":"71.4","C35":"134","p180 Cal3":"43.4","p180 QC2":"194","p180 Cal6":"299"},{"Metabolite":"Thr","S104":"135","C97":"130","p180 Cal1":"5.16","TP03":"126","S58":"74.9","p180 Cal7":"389","C94":"131","S54":"115","PBS_02":"0.034","p180 Cal4":"86.5","p180 QC3":"251","TP01":"111","S60":"145","p180 Cal5":"227","S56":"107","PBS_03":"0","C42":"128","C36":"106","S111":"88.8","TP02":"121","p180 Cal2":"10.3","PBS_01":"0.248","C38":"87.8","p180 QC1":"89.5","C35":"127","p180 Cal3":"48.8","p180 QC2":"177","p180 Cal6":"299"},{"Metabolite":"Trp","S104":"72.6","C97":"75.9","p180 Cal1":"4.78","TP03":"87.5","S58":"59","p180 Cal7":"377","C94":"83.5","S54":"89.3","PBS_02":"0","p180 Cal4":"104","p180 QC3":"240","TP01":"76","S60":"98.6","p180 Cal5":"209","S56":"101","PBS_03":"0","C42":"84.3","C36":"89.3","S111":"59.9","TP02":"84.7","p180 Cal2":"9.54","PBS_01":"0","C38":"51.8","p180 QC1":"49.5","C35":"97.2","p180 Cal3":"51.4","p180 QC2":"179","p180 Cal6":"309"},{"Metabolite":"Tyr","S104":"67.7","C97":"86.1","p180 Cal1":"4.74","TP03":"79.2","S58":"48.6","p180 Cal7":"393","C94":"71.8","S54":"73.5","PBS_02":"0","p180 Cal4":"106","p180 QC3":"251","TP01":"67.2","S60":"93.4","p180 Cal5":"227","S56":"72.1","PBS_03":"0","C42":"83.4","C36":"59.6","S111":"60","TP02":"76.1","p180 Cal2":"9.61","PBS_01":"0","C38":"42.9","p180 QC1":"70.9","C35":"109","p180 Cal3":"50","p180 QC2":"193","p180 Cal6":"275"},{"Metabolite":"Val","S104":"149","C97":"172","p180 Cal1":"10.5","TP03":"155","S58":"103","p180 Cal7":"757","C94":"137","S54":"139","PBS_02":"0.174","p180 Cal4":"195","p180 QC3":"438","TP01":"125","S60":"167","p180 Cal5":"419","S56":"152","PBS_03":"0.164","C42":"169","C36":"148","S111":"119","TP02":"147","p180 Cal2":"18.8","PBS_01":"0.299","C38":"107","p180 QC1":"203","C35":"136","p180 Cal3":"98.8","p180 QC2":"365","p180 Cal6":"631"},{"Metabolite":"Ac-Orn","S104":"3.27","C97":"3.35","p180 Cal1":"0.63","TP03":"2.84","S58":"2.39","p180 Cal7":"39.8","C94":"2","S54":"3.04","PBS_02":"0.333","p180 Cal4":"9.41","p180 QC3":"20.4","TP01":"2.9","S60":"2.93","p180 Cal5":"20.5","S56":"3.2","PBS_03":"0.358","C42":"3.17","C36":"3.2","S111":"2.98","TP02":"2.66","p180 Cal2":"0.727","PBS_01":"0.277","C38":"1.83","p180 QC1":"1.82","C35":"2.93","p180 Cal3":"5.23","p180 QC2":"12.5","p180 Cal6":"30.2"},{"Metabolite":"ADMA","S104":"0.483","C97":"0.921","p180 Cal1":"0.343","TP03":"0.613","S58":"0.606","p180 Cal7":"19.5","C94":"0.567","S54":"0.465","PBS_02":"0.023","p180 Cal4":"4.91","p180 QC3":"15.1","TP01":"0.703","S60":"0.479","p180 Cal5":"10.7","S56":"0.585","PBS_03":"0.036","C42":"0.578","C36":"0.48","S111":"0.724","TP02":"0.791","p180 Cal2":"0.345","PBS_01":"0.035","C38":"0.452","p180 QC1":"0.381","C35":"0.632","p180 Cal3":"2.26","p180 QC2":"6.68","p180 Cal6":"15.2"},{"Metabolite":"alpha-AAA","S104":"4.86","C97":"4.31","p180 Cal1":"0.91","TP03":"5.15","S58":"4.15","p180 Cal7":"79.9","C94":"3.67","S54":"4.86","PBS_02":"0","p180 Cal4":"19.5","p180 QC3":"38","TP01":"4.02","S60":"4.82","p180 Cal5":"40.4","S56":"4.84","PBS_03":"0","C42":"5.4","C36":"4.73","S111":"4.36","TP02":"4.78","p180 Cal2":"2.2","PBS_01":"0","C38":"2.93","p180 QC1":"2.02","C35":"4.17","p180 Cal3":"10","p180 QC2":"25.1","p180 Cal6":"60.1"},{"Metabolite":"c4-OH-Pro","S104":"0","C97":"0","p180 Cal1":"1.04","TP03":"0","S58":"0.285","p180 Cal7":"80.2","C94":"0","S54":"0","PBS_02":"0","p180 Cal4":"20.8","p180 QC3":"47.8","TP01":"0","S60":"0","p180 Cal5":"38.6","S56":"0","PBS_03":"0","C42":"0","C36":"0","S111":"0","TP02":"0","p180 Cal2":"1.84","PBS_01":"0","C38":"0","p180 QC1":"4.86","C35":"0","p180 Cal3":"10.2","p180 QC2":"30","p180 Cal6":"60.3"},{"Metabolite":"Carnosine","S104":"0.701","C97":"0.945","p180 Cal1":"0.491","TP03":"0.946","S58":"0.863","p180 Cal7":"40.8","C94":"0.806","S54":"0.68","PBS_02":"0.012","p180 Cal4":"10.5","p180 QC3":"22.4","TP01":"0.789","S60":"0.746","p180 Cal5":"19.5","S56":"0.904","PBS_03":"0.015","C42":"1.01","C36":"0.764","S111":"0.78","TP02":"0.837","p180 Cal2":"0.959","PBS_01":"0.011","C38":"0.784","p180 QC1":"0.904","C35":"1.26","p180 Cal3":"5.23","p180 QC2":"14.2","p180 Cal6":"28.9"},{"Metabolite":"Creatinine","S104":"7.52","C97":"8.32","p180 Cal1":"10.9","TP03":"8.9","S58":"4.98","p180 Cal7":"739","C94":"6.14","S54":"5.26","PBS_02":"0","p180 Cal4":"174","p180 QC3":"595","TP01":"7.73","S60":"6.18","p180 Cal5":"433","S56":"6.19","PBS_03":"0","C42":"8.1","C36":"8.71","S111":"10.4","TP02":"8.93","p180 Cal2":"21.5","PBS_01":"0","C38":"6.35","p180 QC1":"70.2","C35":"8.35","p180 Cal3":"84.6","p180 QC2":"244","p180 Cal6":"668"},{"Metabolite":"DOPA","S104":"0.037","C97":"0.049","p180 Cal1":"0.52","TP03":"0.027","S58":"0.023","p180 Cal7":"40.4","C94":"0.036","S54":"0.027","PBS_02":"0.053","p180 Cal4":"10.2","p180 QC3":"22.3","TP01":"0.064","S60":"0.036","p180 Cal5":"19.6","S56":"0.028","PBS_03":"0.036","C42":"0.059","C36":"0.057","S111":"0.027","TP02":"0.036","p180 Cal2":"0.919","PBS_01":"0.045","C38":"0.074","p180 QC1":"0.978","C35":"0.068","p180 Cal3":"5.19","p180 QC2":"8.37","p180 Cal6":"29.6"},{"Metabolite":"Dopamine","S104":"0","C97":"0","p180 Cal1":"1","TP03":"0","S58":"0","p180 Cal7":"79","C94":"0","S54":"0","PBS_02":"0","p180 Cal4":"19.5","p180 QC3":"39","TP01":"0","S60":"0","p180 Cal5":"40.5","S56":"0","PBS_03":"0","C42":"0","C36":"0","S111":"0","TP02":"0","p180 Cal2":"2.05","PBS_01":"0","C38":"0","p180 QC1":"1.42","C35":"0","p180 Cal3":"9.74","p180 QC2":"12.7","p180 Cal6":"61.2"},{"Metabolite":"Histamine","S104":"0.377","C97":"0.065","p180 Cal1":"0.98","TP03":"0.309","S58":"0.243","p180 Cal7":"81.6","C94":"0.156","S54":"0.287","PBS_02":"0","p180 Cal4":"21","p180 QC3":"29.2","TP01":"0.28","S60":"0.15","p180 Cal5":"38.9","S56":"0.215","PBS_03":"0","C42":"0.261","C36":"0.357","S111":"0.009","TP02":"0.313","p180 Cal2":"1.92","PBS_01":"0","C38":"0.134","p180 QC1":"2.19","C35":"1.2","p180 Cal3":"10.5","p180 QC2":"19.8","p180 Cal6":"58.1"},{"Metabolite":"Kynurenine","S104":"1.06","C97":"0.945","p180 Cal1":"0.972","TP03":"1.13","S58":"0.693","p180 Cal7":"81.2","C94":"1.55","S54":"1.11","PBS_02":"0","p180 Cal4":"19.6","p180 QC3":"55.8","TP01":"0.944","S60":"0.952","p180 Cal5":"39.6","S56":"1.34","PBS_03":"0","C42":"0.862","C36":"1.1","S111":"1.21","TP02":"1.16","p180 Cal2":"1.92","PBS_01":"0","C38":"0.671","p180 QC1":"1.92","C35":"1.22","p180 Cal3":"11","p180 QC2":"36.6","p180 Cal6":"58.7"},{"Metabolite":"Met-SO","S104":"4.86","C97":"8.15","p180 Cal1":"1.09","TP03":"6.62","S58":"3.78","p180 Cal7":"79.1","C94":"10.4","S54":"9.71","PBS_02":"0","p180 Cal4":"20.2","p180 QC3":"40.9","TP01":"6.27","S60":"8.36","p180 Cal5":"41.3","S56":"4.6","PBS_03":"0","C42":"7.9","C36":"6.17","S111":"4.19","TP02":"6.49","p180 Cal2":"1.95","PBS_01":"0","C38":"5.61","p180 QC1":"1.73","C35":"7.19","p180 Cal3":"8.95","p180 QC2":"27.3","p180 Cal6":"60.4"},{"Metabolite":"Nitro-Tyr","S104":"0","C97":"0","p180 Cal1":"0.958","TP03":"0","S58":"0","p180 Cal7":"81.1","C94":"0","S54":"0","PBS_02":"0","p180 Cal4":"21","p180 QC3":"34.6","TP01":"0","S60":"0","p180 Cal5":"38.4","S56":"0","PBS_03":"0","C42":"0","C36":"0","S111":"0","TP02":"0","p180 Cal2":"1.94","PBS_01":"0","C38":"0","p180 QC1":"1.41","C35":"0","p180 Cal3":"10.6","p180 QC2":"23","p180 Cal6":"59.1"},{"Metabolite":"PEA","S104":"0","C97":"0","p180 Cal1":"0.097","TP03":"0","S58":"0","p180 Cal7":"7.8","C94":"0","S54":"0","PBS_02":"0","p180 Cal4":"1.98","p180 QC3":"5.35","TP01":"0","S60":"0","p180 Cal5":"4.01","S56":"0","PBS_03":"0","C42":"0","C36":"0","S111":"0","TP02":"0","p180 Cal2":"0.246","PBS_01":"0","C38":"0","p180 QC1":"0.237","C35":"0","p180 Cal3":"0.78","p180 QC2":"2.85","p180 Cal6":"6.32"},{"Metabolite":"Putrescine","S104":"0.189","C97":"0.191","p180 Cal1":"0.096","TP03":"0.241","S58":"0.176","p180 Cal7":"8.08","C94":"0.17","S54":"0.174","PBS_02":"0","p180 Cal4":"2.03","p180 QC3":"5.4","TP01":"0.255","S60":"0.238","p180 Cal5":"4.01","S56":"0.202","PBS_03":"0.009","C42":"0.298","C36":"0.254","S111":"0.21","TP02":"0.235","p180 Cal2":"0.204","PBS_01":"0","C38":"0.154","p180 QC1":"0.21","C35":"0.345","p180 Cal3":"1.01","p180 QC2":"2.7","p180 Cal6":"5.86"},{"Metabolite":"SDMA","S104":"0","C97":"0","p180 Cal1":"1.05","TP03":"0","S58":"0","p180 Cal7":"78.7","C94":"0","S54":"0","PBS_02":"0","p180 Cal4":"21.4","p180 QC3":"4.81","TP01":"0","S60":"0","p180 Cal5":"39.6","S56":"0","PBS_03":"0","C42":"0","C36":"0","S111":"0","TP02":"0","p180 Cal2":"2.08","PBS_01":"0","C38":"0","p180 QC1":"0.299","C35":"0","p180 Cal3":"8.31","p180 QC2":"2.33","p180 Cal6":"61.8"},{"Metabolite":"Serotonin","S104":"9.28","C97":"8.23","p180 Cal1":"0.103","TP03":"12.5","S58":"11.2","p180 Cal7":"7.94","C94":"10.2","S54":"13.1","PBS_02":"0.014","p180 Cal4":"1.94","p180 QC3":"5.36","TP01":"12","S60":"10","p180 Cal5":"3.9","S56":"17.6","PBS_03":"0.015","C42":"12.1","C36":"13.1","S111":"7.36","TP02":"11.7","p180 Cal2":"0.187","PBS_01":"0.013","C38":"11.5","p180 QC1":"0.258","C35":"8.92","p180 Cal3":"1.07","p180 QC2":"2.85","p180 Cal6":"6.16"},{"Metabolite":"Spermidine","S104":"0.259","C97":"0.49","p180 Cal1":"0.255","TP03":"0.359","S58":"0.202","p180 Cal7":"20.2","C94":"0.27","S54":"0.277","PBS_02":"0.104","p180 Cal4":"4.78","p180 QC3":"12.7","TP01":"0.353","S60":"0.265","p180 Cal5":"10.6","S56":"0.178","PBS_03":"0.104","C42":"0.352","C36":"0.316","S111":"0.564","TP02":"0.345","p180 Cal2":"0.499","PBS_01":"0.109","C38":"0.227","p180 QC1":"0.73","C35":"0.312","p180 Cal3":"2.49","p180 QC2":"6.67","p180 Cal6":"14.4"},{"Metabolite":"Spermine","S104":"0.168","C97":"0.171","p180 Cal1":"0.3","TP03":"0.171","S58":"0.168","p180 Cal7":"20.1","C94":"0.166","S54":"0.166","PBS_02":"0.166","p180 Cal4":"4.65","p180 QC3":"13.7","TP01":"0.173","S60":"0.166","p180 Cal5":"10.7","S56":"0.166","PBS_03":"0.167","C42":"0.173","C36":"0.17","S111":"0.17","TP02":"0.174","p180 Cal2":"0.4","PBS_01":"0.168","C38":"0.171","p180 QC1":"0.832","C35":"0.169","p180 Cal3":"2.56","p180 QC2":"7","p180 Cal6":"14.5"},{"Metabolite":"t4-OH-Pro","S104":"9.27","C97":"12.1","p180 Cal1":"1.09","TP03":"10.6","S58":"8.31","p180 Cal7":"80.3","C94":"10.8","S54":"12.2","PBS_02":"0","p180 Cal4":"20.9","p180 QC3":"50.4","TP01":"9.69","S60":"11.5","p180 Cal5":"39.2","S56":"9.57","PBS_03":"0","C42":"10.1","C36":"8.88","S111":"11.2","TP02":"11.1","p180 Cal2":"1.79","PBS_01":"0","C38":"7.14","p180 QC1":"14.1","C35":"10.5","p180 Cal3":"9.95","p180 QC2":"37.1","p180 Cal6":"59.8"},{"Metabolite":"Taurine","S104":"449","C97":"375","p180 Cal1":"2.47","TP03":"417","S58":"344","p180 Cal7":"186","C94":"336","S54":"362","PBS_02":"0.02","p180 Cal4":"49.7","p180 QC3":"131","TP01":"381","S60":"385","p180 Cal5":"189","S56":"350","PBS_03":"0.004","C42":"431","C36":"373","S111":"358","TP02":"403","p180 Cal2":"5.18","PBS_01":"0.006","C38":"329","p180 QC1":"41.1","C35":"458","p180 Cal3":"24.6","p180 QC2":"90.6","p180 Cal6":"143"},{"Metabolite":"total DMA","S104":"0.507","C97":"0.737","p180 Cal1":"1.26","TP03":"0.528","S58":"0.263","p180 Cal7":"99.7","C94":"0.425","S54":"0.394","PBS_02":"0","p180 Cal4":"27.4","p180 QC3":"14.9","TP01":"0.504","S60":"0.44","p180 Cal5":"48.4","S56":"0.504","PBS_03":"0","C42":"0.466","C36":"0.364","S111":"0.5","TP02":"0.511","p180 Cal2":"2.6","PBS_01":"0","C38":"0.313","p180 QC1":"0.987","C35":"0.568","p180 Cal3":"11","p180 QC2":"3.58","p180 Cal6":"75.9"},{"Metabolite":"lysoPC a C14:0","S104":"3.63","C97":"3.72","p180 Cal1":"2.02","TP03":"3.96","S58":"4.1","p180 Cal7":"1.89","C94":"3.75","S54":"3.9","PBS_02":"2.38","p180 Cal4":"1.91","p180 QC3":"4.35","TP01":"3.7","S60":"3.52","p180 Cal5":"1.86","S56":"3.88","PBS_03":"2.3","C42":"3.96","C36":"3.84","S111":"3.94","TP02":"3.76","p180 Cal2":"2.01","PBS_01":"2.23","C38":"3.37","p180 QC1":"4.51","C35":"3.58","p180 Cal3":"2.04","p180 QC2":"4.75","p180 Cal6":"1.9"},{"Metabolite":"lysoPC a C16:0","S104":"285","C97":"284","p180 Cal1":"0.154","TP03":"293","S58":"311","p180 Cal7":"0.046","C94":"283","S54":"264","PBS_02":"0.058","p180 Cal4":"0.069","p180 QC3":"183","TP01":"241","S60":"242","p180 Cal5":"0.038","S56":"299","PBS_03":"0.076","C42":"259","C36":"237","S111":"278","TP02":"275","p180 Cal2":"0.079","PBS_01":"0.07","C38":"196","p180 QC1":"213","C35":"194","p180 Cal3":"0.143","p180 QC2":"232","p180 Cal6":"0.037"},{"Metabolite":"lysoPC a C16:1","S104":"5.62","C97":"5.85","p180 Cal1":"0.025","TP03":"6.23","S58":"6.39","p180 Cal7":"0.025","C94":"5.29","S54":"5.93","PBS_02":"0.026","p180 Cal4":"0.022","p180 QC3":"3.49","TP01":"5.04","S60":"5.66","p180 Cal5":"0.022","S56":"6.45","PBS_03":"0.029","C42":"5.71","C36":"6.14","S111":"5.47","TP02":"6.07","p180 Cal2":"0.021","PBS_01":"0.037","C38":"3.67","p180 QC1":"4.18","C35":"4.93","p180 Cal3":"0.023","p180 QC2":"4.36","p180 Cal6":"0.022"},{"Metabolite":"lysoPC a C17:0","S104":"5.83","C97":"5.24","p180 Cal1":"0.029","TP03":"6.06","S58":"6.99","p180 Cal7":"0.01","C94":"5.97","S54":"5.7","PBS_02":"0.023","p180 Cal4":"0.014","p180 QC3":"3.14","TP01":"5.06","S60":"4.66","p180 Cal5":"0.011","S56":"6.32","PBS_03":"0.029","C42":"6.73","C36":"5.2","S111":"5.85","TP02":"5.53","p180 Cal2":"0.017","PBS_01":"0.014","C38":"4","p180 QC1":"3.72","C35":"3.42","p180 Cal3":"0.039","p180 QC2":"3.77","p180 Cal6":"0.008"},{"Metabolite":"lysoPC a C18:0","S104":"156","C97":"159","p180 Cal1":"0.133","TP03":"150","S58":"150","p180 Cal7":"0.069","C94":"173","S54":"138","PBS_02":"0.089","p180 Cal4":"0.07","p180 QC3":"174","TP01":"124","S60":"108","p180 Cal5":"0.067","S56":"149","PBS_03":"0.088","C42":"128","C36":"120","S111":"152","TP02":"142","p180 Cal2":"0.089","PBS_01":"0.085","C38":"106","p180 QC1":"71.2","C35":"75.1","p180 Cal3":"0.129","p180 QC2":"146","p180 Cal6":"0.07"},{"Metabolite":"lysoPC a C18:1","S104":"54.2","C97":"55.6","p180 Cal1":"0.032","TP03":"59.8","S58":"59.8","p180 Cal7":"0.02","C94":"48.5","S54":"54.1","PBS_02":"0.027","p180 Cal4":"0.021","p180 QC3":"27.1","TP01":"49.5","S60":"51.4","p180 Cal5":"0.014","S56":"63.1","PBS_03":"0.012","C42":"54.2","C36":"56.2","S111":"55.8","TP02":"56.7","p180 Cal2":"0.021","PBS_01":"0.036","C38":"35.8","p180 QC1":"30.7","C35":"44","p180 Cal3":"0.016","p180 QC2":"34.3","p180 Cal6":"0.01"},{"Metabolite":"lysoPC a C18:2","S104":"200","C97":"195","p180 Cal1":"0.069","TP03":"211","S58":"188","p180 Cal7":"0.02","C94":"211","S54":"197","PBS_02":"0.027","p180 Cal4":"0.021","p180 QC3":"29.1","TP01":"174","S60":"200","p180 Cal5":"0.015","S56":"202","PBS_03":"0.066","C42":"170","C36":"193","S111":"211","TP02":"204","p180 Cal2":"0.032","PBS_01":"0.032","C38":"141","p180 QC1":"34.6","C35":"151","p180 Cal3":"0.021","p180 QC2":"36.5","p180 Cal6":"0.014"},{"Metabolite":"lysoPC a C20:3","S104":"10.3","C97":"9.66","p180 Cal1":"0.025","TP03":"10.5","S58":"10.4","p180 Cal7":"0.029","C94":"8.96","S54":"9","PBS_02":"0.063","p180 Cal4":"0.036","p180 QC3":"2.13","TP01":"8.68","S60":"9.53","p180 Cal5":"0.023","S56":"11.4","PBS_03":"0.064","C42":"9.25","C36":"8.71","S111":"8.69","TP02":"9.74","p180 Cal2":"0.029","PBS_01":"0.031","C38":"7.12","p180 QC1":"2.45","C35":"7.76","p180 Cal3":"0.043","p180 QC2":"3.06","p180 Cal6":"0.037"},{"Metabolite":"lysoPC a C20:4","S104":"49.3","C97":"42.3","p180 Cal1":"0.011","TP03":"48.8","S58":"43.7","p180 Cal7":"0.013","C94":"45.9","S54":"44.2","PBS_02":"0.016","p180 Cal4":"0.008","p180 QC3":"8.97","TP01":"40","S60":"42.7","p180 Cal5":"0.007","S56":"50.7","PBS_03":"0.019","C42":"40","C36":"40.8","S111":"40.6","TP02":"46.6","p180 Cal2":"0.009","PBS_01":"0.005","C38":"36.9","p180 QC1":"10.6","C35":"42.1","p180 Cal3":"0.007","p180 QC2":"11.2","p180 Cal6":"0.006"},{"Metabolite":"lysoPC a C24:0","S104":"0.719","C97":"0.654","p180 Cal1":"0.051","TP03":"0.664","S58":"0.615","p180 Cal7":"0.022","C94":"0.549","S54":"0.598","PBS_02":"0.024","p180 Cal4":"0.036","p180 QC3":"0.433","TP01":"0.598","S60":"0.522","p180 Cal5":"0.034","S56":"0.681","PBS_03":"0.038","C42":"0.549","C36":"0.573","S111":"0.657","TP02":"0.617","p180 Cal2":"0.042","PBS_01":"0.026","C38":"0.635","p180 QC1":"0.42","C35":"0.496","p180 Cal3":"0.066","p180 QC2":"0.517","p180 Cal6":"0.023"},{"Metabolite":"lysoPC a C26:0","S104":"0.38","C97":"0.323","p180 Cal1":"0.039","TP03":"0.371","S58":"0.396","p180 Cal7":"0.01","C94":"0.221","S54":"0.299","PBS_02":"0.017","p180 Cal4":"0.015","p180 QC3":"0.39","TP01":"0.348","S60":"0.281","p180 Cal5":"0.009","S56":"0.27","PBS_03":"0.005","C42":"0.325","C36":"0.435","S111":"0.339","TP02":"0.345","p180 Cal2":"0.017","PBS_01":"0.024","C38":"0.358","p180 QC1":"0.474","C35":"0.375","p180 Cal3":"0.043","p180 QC2":"0.554","p180 Cal6":"0.012"},{"Metabolite":"lysoPC a C26:1","S104":"0.271","C97":"0.224","p180 Cal1":"0.011","TP03":"0.237","S58":"0.26","p180 Cal7":"0.005","C94":"0.222","S54":"0.235","PBS_02":"0.009","p180 Cal4":"0.011","p180 QC3":"0.265","TP01":"0.242","S60":"0.185","p180 Cal5":"0.008","S56":"0.322","PBS_03":"0.033","C42":"0.224","C36":"0.251","S111":"0.185","TP02":"0.251","p180 Cal2":"0.006","PBS_01":"0.014","C38":"0.212","p180 QC1":"0.32","C35":"0.285","p180 Cal3":"0.019","p180 QC2":"0.369","p180 Cal6":"0.006"},{"Metabolite":"lysoPC a C28:0","S104":"0.467","C97":"0.453","p180 Cal1":"0.059","TP03":"0.419","S58":"0.436","p180 Cal7":"0.035","C94":"0.37","S54":"0.464","PBS_02":"0.061","p180 Cal4":"0.047","p180 QC3":"0.414","TP01":"0.444","S60":"0.391","p180 Cal5":"0.039","S56":"0.444","PBS_03":"0.086","C42":"0.384","C36":"0.43","S111":"0.456","TP02":"0.387","p180 Cal2":"0.045","PBS_01":"0.048","C38":"0.426","p180 QC1":"0.474","C35":"0.401","p180 Cal3":"0.068","p180 QC2":"0.568","p180 Cal6":"0.049"},{"Metabolite":"lysoPC a C28:1","S104":"0.421","C97":"0.379","p180 Cal1":"0.02","TP03":"0.415","S58":"0.356","p180 Cal7":"0.008","C94":"0.3","S54":"0.322","PBS_02":"0.012","p180 Cal4":"0.01","p180 QC3":"0.459","TP01":"0.372","S60":"0.278","p180 Cal5":"0.011","S56":"0.374","PBS_03":"0.008","C42":"0.361","C36":"0.423","S111":"0.417","TP02":"0.378","p180 Cal2":"0.015","PBS_01":"0.002","C38":"0.314","p180 QC1":"0.446","C35":"0.329","p180 Cal3":"0.018","p180 QC2":"0.511","p180 Cal6":"0.006"},{"Metabolite":"PC aa C24:0","S104":"0.18","C97":"0.168","p180 Cal1":"0.038","TP03":"0.14","S58":"0.134","p180 Cal7":"0.02","C94":"0.142","S54":"0.153","PBS_02":"0.021","p180 Cal4":"0.021","p180 QC3":"41.6","TP01":"0.156","S60":"0.121","p180 Cal5":"0.021","S56":"0.152","PBS_03":"0.024","C42":"0.137","C36":"0.151","S111":"0.125","TP02":"0.164","p180 Cal2":"0.026","PBS_01":"0.019","C38":"0.188","p180 QC1":"8.21","C35":"0.167","p180 Cal3":"0.032","p180 QC2":"25.2","p180 Cal6":"0.023"},{"Metabolite":"PC aa C26:0","S104":"1.1","C97":"1.02","p180 Cal1":"0.424","TP03":"1.06","S58":"0.948","p180 Cal7":"0.392","C94":"0.955","S54":"1.07","PBS_02":"0.379","p180 Cal4":"0.408","p180 QC3":"0.982","TP01":"1.07","S60":"0.94","p180 Cal5":"0.411","S56":"1.06","PBS_03":"0.374","C42":"0.981","C36":"1.17","S111":"0.943","TP02":"1.1","p180 Cal2":"0.417","PBS_01":"0.376","C38":"1.11","p180 QC1":"1.07","C35":"1.13","p180 Cal3":"0.421","p180 QC2":"1.17","p180 Cal6":"0.42"},{"Metabolite":"PC aa C28:1","S104":"0.305","C97":"0.306","p180 Cal1":"0.015","TP03":"0.315","S58":"0.288","p180 Cal7":"0.032","C94":"0.291","S54":"0.308","PBS_02":"0.013","p180 Cal4":"0.026","p180 QC3":"1.81","TP01":"0.298","S60":"0.249","p180 Cal5":"0.02","S56":"0.318","PBS_03":"0.009","C42":"0.293","C36":"0.345","S111":"0.293","TP02":"0.311","p180 Cal2":"0.018","PBS_01":"0.008","C38":"0.294","p180 QC1":"2.07","C35":"0.305","p180 Cal3":"0.014","p180 QC2":"2.17","p180 Cal6":"0.025"},{"Metabolite":"PC aa C30:0","S104":"0.562","C97":"0.637","p180 Cal1":"0.048","TP03":"0.622","S58":"0.623","p180 Cal7":"0.045","C94":"0.632","S54":"0.622","PBS_02":"0.043","p180 Cal4":"0.05","p180 QC3":"2.37","TP01":"0.584","S60":"0.553","p180 Cal5":"0.048","S56":"0.595","PBS_03":"0.046","C42":"0.602","C36":"0.661","S111":"0.659","TP02":"0.603","p180 Cal2":"0.048","PBS_01":"0.043","C38":"0.604","p180 QC1":"2.67","C35":"0.493","p180 Cal3":"0.042","p180 QC2":"2.72","p180 Cal6":"0.046"},{"Metabolite":"PC aa C30:2","S104":"0.181","C97":"0.153","p180 Cal1":"0.001","TP03":"0.192","S58":"0.154","p180 Cal7":"0.001","C94":"0.157","S54":"0.128","PBS_02":"0","p180 Cal4":"0.001","p180 QC3":"0.288","TP01":"0.167","S60":"0.159","p180 Cal5":"0","S56":"0.216","PBS_03":"0","C42":"0.146","C36":"0.166","S111":"0.161","TP02":"0.147","p180 Cal2":"0.002","PBS_01":"0.001","C38":"0.127","p180 QC1":"0.336","C35":"0.198","p180 Cal3":"0.002","p180 QC2":"0.421","p180 Cal6":"0"},{"Metabolite":"PC aa C32:0","S104":"5.03","C97":"7.08","p180 Cal1":"0.01","TP03":"6.44","S58":"6.23","p180 Cal7":"0.01","C94":"5.8","S54":"7.1","PBS_02":"0.008","p180 Cal4":"0.009","p180 QC3":"6.87","TP01":"5.49","S60":"5.86","p180 Cal5":"0.008","S56":"5.3","PBS_03":"0.004","C42":"7.86","C36":"6.77","S111":"6.52","TP02":"5.5","p180 Cal2":"0.008","PBS_01":"0.006","C38":"5.08","p180 QC1":"8.15","C35":"4.84","p180 Cal3":"0.01","p180 QC2":"8.13","p180 Cal6":"0.006"},{"Metabolite":"PC aa C32:1","S104":"1.1","C97":"1.29","p180 Cal1":"0.005","TP03":"1.33","S58":"1.47","p180 Cal7":"0.004","C94":"1.21","S54":"1.65","PBS_02":"0.004","p180 Cal4":"0.009","p180 QC3":"5.47","TP01":"1.14","S60":"1.34","p180 Cal5":"0.001","S56":"1.63","PBS_03":"0.002","C42":"1.35","C36":"1.63","S111":"1.14","TP02":"1.27","p180 Cal2":"0.005","PBS_01":"0.006","C38":"1.14","p180 QC1":"6.49","C35":"1.31","p180 Cal3":"0.006","p180 QC2":"6.59","p180 Cal6":"0.002"},{"Metabolite":"PC aa C32:2","S104":"0.539","C97":"0.582","p180 Cal1":"0.006","TP03":"0.702","S58":"0.669","p180 Cal7":"0.003","C94":"0.605","S54":"0.72","PBS_02":"0.003","p180 Cal4":"0.01","p180 QC3":"1.9","TP01":"0.571","S60":"0.586","p180 Cal5":"0.003","S56":"0.703","PBS_03":"0.003","C42":"0.681","C36":"0.798","S111":"0.576","TP02":"0.66","p180 Cal2":"0.004","PBS_01":"0.002","C38":"0.499","p180 QC1":"2.2","C35":"0.529","p180 Cal3":"0.007","p180 QC2":"2.31","p180 Cal6":"0.005"},{"Metabolite":"PC aa C32:3","S104":"0.136","C97":"0.124","p180 Cal1":"0.002","TP03":"0.14","S58":"0.146","p180 Cal7":"0.003","C94":"0.131","S54":"0.14","PBS_02":"0.002","p180 Cal4":"0.002","p180 QC3":"0.379","TP01":"0.126","S60":"0.123","p180 Cal5":"0.004","S56":"0.144","PBS_03":"0.002","C42":"0.125","C36":"0.141","S111":"0.104","TP02":"0.14","p180 Cal2":"0.003","PBS_01":"0.002","C38":"0.127","p180 QC1":"0.476","C35":"0.116","p180 Cal3":"0.003","p180 QC2":"0.455","p180 Cal6":"0.002"},{"Metabolite":"PC aa C34:1","S104":"46.2","C97":"54.8","p180 Cal1":"0.024","TP03":"55.6","S58":"65.1","p180 Cal7":"0.024","C94":"47.4","S54":"55.7","PBS_02":"0.011","p180 Cal4":"0.017","p180 QC3":"103","TP01":"46.3","S60":"48.7","p180 Cal5":"0.009","S56":"65.7","PBS_03":"0.013","C42":"51.7","C36":"54.5","S111":"45.9","TP02":"53.4","p180 Cal2":"0.021","PBS_01":"0.016","C38":"44","p180 QC1":"119","C35":"42.2","p180 Cal3":"0.02","p180 QC2":"122","p180 Cal6":"0.015"},{"Metabolite":"PC aa C34:2","S104":"209","C97":"220","p180 Cal1":"0.029","TP03":"229","S58":"240","p180 Cal7":"0.051","C94":"234","S54":"234","PBS_02":"0.019","p180 Cal4":"0.028","p180 QC3":"239","TP01":"194","S60":"215","p180 Cal5":"0.012","S56":"243","PBS_03":"0.011","C42":"223","C36":"227","S111":"214","TP02":"226","p180 Cal2":"0.13","PBS_01":"0.015","C38":"197","p180 QC1":"276","C35":"161","p180 Cal3":"0.021","p180 QC2":"286","p180 Cal6":"0.047"},{"Metabolite":"PC aa C34:3","S104":"5.08","C97":"5.66","p180 Cal1":"0.008","TP03":"5.87","S58":"6.28","p180 Cal7":"0.009","C94":"5.31","S54":"6.72","PBS_02":"0.004","p180 Cal4":"0.01","p180 QC3":"8.89","TP01":"4.93","S60":"5.57","p180 Cal5":"0.011","S56":"6.56","PBS_03":"0.008","C42":"5.5","C36":"6.49","S111":"5.09","TP02":"5.84","p180 Cal2":"0.015","PBS_01":"0.006","C38":"4.82","p180 QC1":"10.3","C35":"4.44","p180 Cal3":"0.009","p180 QC2":"10.6","p180 Cal6":"0.01"},{"Metabolite":"PC aa C34:4","S104":"0.279","C97":"0.287","p180 Cal1":"0.006","TP03":"0.352","S58":"0.33","p180 Cal7":"0.005","C94":"0.298","S54":"0.319","PBS_02":"0.004","p180 Cal4":"0.007","p180 QC3":"0.995","TP01":"0.27","S60":"0.287","p180 Cal5":"0.008","S56":"0.352","PBS_03":"0.004","C42":"0.345","C36":"0.353","S111":"0.295","TP02":"0.327","p180 Cal2":"0.01","PBS_01":"0.003","C38":"0.287","p180 QC1":"1.13","C35":"0.254","p180 Cal3":"0.007","p180 QC2":"1.16","p180 Cal6":"0.008"},{"Metabolite":"PC aa C36:0","S104":"1.82","C97":"1.99","p180 Cal1":"0.052","TP03":"1.98","S58":"1.92","p180 Cal7":"0.05","C94":"1.94","S54":"1.79","PBS_02":"0.049","p180 Cal4":"0.049","p180 QC3":"1.82","TP01":"1.65","S60":"1.71","p180 Cal5":"0.05","S56":"1.87","PBS_03":"0.061","C42":"1.74","C36":"1.7","S111":"1.91","TP02":"1.84","p180 Cal2":"0.049","PBS_01":"0.046","C38":"1.65","p180 QC1":"1.95","C35":"1.23","p180 Cal3":"0.048","p180 QC2":"2.07","p180 Cal6":"0.047"},{"Metabolite":"PC aa C36:1","S104":"12.9","C97":"14.1","p180 Cal1":"0.007","TP03":"14.3","S58":"14.2","p180 Cal7":"0.005","C94":"15.1","S54":"13.7","PBS_02":"0.005","p180 Cal4":"0.007","p180 QC3":"24.9","TP01":"11.7","S60":"11.8","p180 Cal5":"0.006","S56":"15.7","PBS_03":"0.005","C42":"13.7","C36":"13.7","S111":"12","TP02":"12.9","p180 Cal2":"0.006","PBS_01":"0.009","C38":"11.2","p180 QC1":"28.3","C35":"7.67","p180 Cal3":"0.005","p180 QC2":"29.4","p180 Cal6":"0.003"},{"Metabolite":"PC aa C36:2","S104":"181","C97":"197","p180 Cal1":"0.025","TP03":"193","S58":"188","p180 Cal7":"0.016","C94":"222","S54":"193","PBS_02":"0.013","p180 Cal4":"0.015","p180 QC3":"160","TP01":"162","S60":"159","p180 Cal5":"0.009","S56":"203","PBS_03":"0.013","C42":"183","C36":"192","S111":"187","TP02":"189","p180 Cal2":"0.02","PBS_01":"0.007","C38":"169","p180 QC1":"185","C35":"120","p180 Cal3":"0.015","p180 QC2":"191","p180 Cal6":"0.016"},{"Metabolite":"PC aa C36:3","S104":"51.4","C97":"55.1","p180 Cal1":"0.006","TP03":"61.2","S58":"62.5","p180 Cal7":"0.017","C94":"56","S54":"60.8","PBS_02":"0.006","p180 Cal4":"0.007","p180 QC3":"74.9","TP01":"50.4","S60":"51.6","p180 Cal5":"0.005","S56":"68.4","PBS_03":"0.004","C42":"60.5","C36":"65.3","S111":"56.9","TP02":"58.5","p180 Cal2":"0.032","PBS_01":"0.006","C38":"45.9","p180 QC1":"89.2","C35":"44.3","p180 Cal3":"0.005","p180 QC2":"90.1","p180 Cal6":"0.022"},{"Metabolite":"PC aa C36:4","S104":"68.3","C97":"66","p180 Cal1":"0.014","TP03":"74.4","S58":"80","p180 Cal7":"0.039","C94":"72","S54":"78.5","PBS_02":"0.014","p180 Cal4":"0.019","p180 QC3":"118","TP01":"61.8","S60":"64.1","p180 Cal5":"0.011","S56":"82.7","PBS_03":"0.005","C42":"73.2","C36":"70.2","S111":"60.3","TP02":"72.7","p180 Cal2":"0.099","PBS_01":"0.012","C38":"71.2","p180 QC1":"137","C35":"59.6","p180 Cal3":"0.013","p180 QC2":"141","p180 Cal6":"0.034"},{"Metabolite":"PC aa C36:5","S104":"6.59","C97":"6.78","p180 Cal1":"0.012","TP03":"7.35","S58":"7.98","p180 Cal7":"0.022","C94":"7.68","S54":"7.75","PBS_02":"0.013","p180 Cal4":"0.027","p180 QC3":"13.4","TP01":"6.11","S60":"6.87","p180 Cal5":"0.012","S56":"7.53","PBS_03":"0.008","C42":"7.38","C36":"7.85","S111":"6.23","TP02":"7.11","p180 Cal2":"0.023","PBS_01":"0.012","C38":"6.3","p180 QC1":"15.9","C35":"5.37","p180 Cal3":"0.017","p180 QC2":"16","p180 Cal6":"0.012"},{"Metabolite":"PC aa C36:6","S104":"0.298","C97":"0.324","p180 Cal1":"0.013","TP03":"0.383","S58":"0.379","p180 Cal7":"0.012","C94":"0.342","S54":"0.362","PBS_02":"0.012","p180 Cal4":"0.016","p180 QC3":"0.779","TP01":"0.289","S60":"0.345","p180 Cal5":"0.009","S56":"0.414","PBS_03":"0.014","C42":"0.405","C36":"0.391","S111":"0.335","TP02":"0.349","p180 Cal2":"0.013","PBS_01":"0.015","C38":"0.298","p180 QC1":"0.856","C35":"0.277","p180 Cal3":"0.009","p180 QC2":"0.945","p180 Cal6":"0.011"},{"Metabolite":"PC aa C38:0","S104":"1.28","C97":"1.31","p180 Cal1":"0.009","TP03":"1.47","S58":"1.65","p180 Cal7":"0.008","C94":"1.48","S54":"1.37","PBS_02":"0.01","p180 Cal4":"0.012","p180 QC3":"1.79","TP01":"1.2","S60":"1.22","p180 Cal5":"0.009","S56":"1.65","PBS_03":"0.008","C42":"1.42","C36":"1.26","S111":"1.33","TP02":"1.46","p180 Cal2":"0.014","PBS_01":"0.008","C38":"1.2","p180 QC1":"2.02","C35":"0.958","p180 Cal3":"0.01","p180 QC2":"2.07","p180 Cal6":"0.009"},{"Metabolite":"PC aa C38:1","S104":"0.381","C97":"0.453","p180 Cal1":"0.004","TP03":"0.409","S58":"0.385","p180 Cal7":"0.005","C94":"0.414","S54":"0.375","PBS_02":"0.003","p180 Cal4":"0.002","p180 QC3":"0.51","TP01":"0.358","S60":"0.375","p180 Cal5":"0.003","S56":"0.321","PBS_03":"0.002","C42":"0.385","C36":"0.421","S111":"0.353","TP02":"0.368","p180 Cal2":"0","PBS_01":"0.004","C38":"0.278","p180 QC1":"0.716","C35":"0.317","p180 Cal3":"0.004","p180 QC2":"0.963","p180 Cal6":"0"},{"Metabolite":"PC aa C38:3","S104":"18.5","C97":"19.1","p180 Cal1":"0.004","TP03":"19","S58":"20.7","p180 Cal7":"0.005","C94":"19.4","S54":"17.4","PBS_02":"0.001","p180 Cal4":"0.004","p180 QC3":"29.4","TP01":"15.6","S60":"15","p180 Cal5":"0.004","S56":"21.6","PBS_03":"0.002","C42":"18","C36":"17.2","S111":"16.3","TP02":"17.9","p180 Cal2":"0.002","PBS_01":"0.003","C38":"16","p180 QC1":"34.1","C35":"10.6","p180 Cal3":"0.005","p180 QC2":"35","p180 Cal6":"0.006"},{"Metabolite":"PC aa C38:4","S104":"63.8","C97":"64.7","p180 Cal1":"0.007","TP03":"63.5","S58":"64.5","p180 Cal7":"0.01","C94":"68.9","S54":"64.6","PBS_02":"0.004","p180 Cal4":"0.006","p180 QC3":"76.5","TP01":"52.8","S60":"47.8","p180 Cal5":"0.003","S56":"68.3","PBS_03":"0.003","C42":"57.4","C36":"55.1","S111":"54.5","TP02":"59.2","p180 Cal2":"0.006","PBS_01":"0.004","C38":"60.7","p180 QC1":"88.9","C35":"40","p180 Cal3":"0.005","p180 QC2":"90.8","p180 Cal6":"0.007"},{"Metabolite":"PC aa C38:5","S104":"19.7","C97":"19.9","p180 Cal1":"0.006","TP03":"21.1","S58":"23.4","p180 Cal7":"0.018","C94":"19.4","S54":"21.8","PBS_02":"0.006","p180 Cal4":"0.014","p180 QC3":"33.2","TP01":"17.8","S60":"17.2","p180 Cal5":"0.006","S56":"24.6","PBS_03":"0.008","C42":"20.5","C36":"21.6","S111":"18.3","TP02":"20.7","p180 Cal2":"0.018","PBS_01":"0.007","C38":"17.4","p180 QC1":"38.6","C35":"16.4","p180 Cal3":"0.012","p180 QC2":"40","p180 Cal6":"0.006"},{"Metabolite":"PC aa C38:6","S104":"66.5","C97":"71.2","p180 Cal1":"0.015","TP03":"70.3","S58":"82.7","p180 Cal7":"0.017","C94":"64.9","S54":"72.8","PBS_02":"0.007","p180 Cal4":"0.02","p180 QC3":"44.9","TP01":"57.4","S60":"54.8","p180 Cal5":"0.008","S56":"77.7","PBS_03":"0.014","C42":"62.5","C36":"57.2","S111":"55.3","TP02":"67.1","p180 Cal2":"0.01","PBS_01":"0.01","C38":"57.9","p180 QC1":"53.2","C35":"50.8","p180 Cal3":"0.007","p180 QC2":"54.8","p180 Cal6":"0.009"},{"Metabolite":"PC aa C40:1","S104":"0.258","C97":"0.271","p180 Cal1":"0.13","TP03":"0.265","S58":"0.297","p180 Cal7":"0.157","C94":"0.255","S54":"0.234","PBS_02":"0.112","p180 Cal4":"0.131","p180 QC3":"0.355","TP01":"0.258","S60":"0.254","p180 Cal5":"0.158","S56":"0.27","PBS_03":"0.104","C42":"0.304","C36":"0.29","S111":"0.267","TP02":"0.284","p180 Cal2":"0.124","PBS_01":"0.1","C38":"0.27","p180 QC1":"0.326","C35":"0.239","p180 Cal3":"0.126","p180 QC2":"0.383","p180 Cal6":"0.158"},{"Metabolite":"PC aa C40:2","S104":"0.185","C97":"0.185","p180 Cal1":"0.008","TP03":"0.211","S58":"0.246","p180 Cal7":"0.008","C94":"0.198","S54":"0.191","PBS_02":"0.006","p180 Cal4":"0.007","p180 QC3":"0.456","TP01":"0.173","S60":"0.191","p180 Cal5":"0.008","S56":"0.222","PBS_03":"0.005","C42":"0.208","C36":"0.217","S111":"0.184","TP02":"0.193","p180 Cal2":"0.005","PBS_01":"0.007","C38":"0.197","p180 QC1":"0.51","C35":"0.166","p180 Cal3":"0.006","p180 QC2":"0.55","p180 Cal6":"0.008"},{"Metabolite":"PC aa C40:3","S104":"0.222","C97":"0.268","p180 Cal1":"0.001","TP03":"0.223","S58":"0.27","p180 Cal7":"0.003","C94":"0.205","S54":"0.226","PBS_02":"0.001","p180 Cal4":"0.002","p180 QC3":"0.526","TP01":"0.196","S60":"0.196","p180 Cal5":"0.005","S56":"0.265","PBS_03":"0.002","C42":"0.265","C36":"0.224","S111":"0.226","TP02":"0.242","p180 Cal2":"0.002","PBS_01":"0.001","C38":"0.21","p180 QC1":"0.624","C35":"0.16","p180 Cal3":"0.004","p180 QC2":"0.639","p180 Cal6":"0.004"},{"Metabolite":"PC aa C40:4","S104":"1.19","C97":"1.18","p180 Cal1":"0.019","TP03":"1.17","S58":"1.31","p180 Cal7":"0.012","C94":"1.23","S54":"1.1","PBS_02":"0.005","p180 Cal4":"0.016","p180 QC3":"2.99","TP01":"1.02","S60":"0.963","p180 Cal5":"0.012","S56":"1.28","PBS_03":"0.004","C42":"1.1","C36":"1.09","S111":"1.16","TP02":"1.12","p180 Cal2":"0.016","PBS_01":"0.002","C38":"1.03","p180 QC1":"3.52","C35":"0.813","p180 Cal3":"0.021","p180 QC2":"3.54","p180 Cal6":"0.009"},{"Metabolite":"PC aa C40:5","S104":"3.33","C97":"3.5","p180 Cal1":"0","TP03":"3.2","S58":"3.28","p180 Cal7":"0","C94":"3.41","S54":"3.02","PBS_02":"0","p180 Cal4":"0","p180 QC3":"7.31","TP01":"2.54","S60":"2.47","p180 Cal5":"0","S56":"3.32","PBS_03":"0","C42":"2.87","C36":"2.77","S111":"2.7","TP02":"2.99","p180 Cal2":"0","PBS_01":"0","C38":"2.55","p180 QC1":"8.53","C35":"1.76","p180 Cal3":"0","p180 QC2":"8.78","p180 Cal6":"0.002"},{"Metabolite":"PC aa C40:6","S104":"35.2","C97":"37.7","p180 Cal1":"0.078","TP03":"33","S58":"35.3","p180 Cal7":"0.075","C94":"38.9","S54":"33.5","PBS_02":"0.071","p180 Cal4":"0.072","p180 QC3":"17.8","TP01":"27.5","S60":"24.3","p180 Cal5":"0.067","S56":"34.6","PBS_03":"0.077","C42":"30.2","C36":"27.2","S111":"28.6","TP02":"31.8","p180 Cal2":"0.072","PBS_01":"0.074","C38":"27.7","p180 QC1":"20.5","C35":"15.9","p180 Cal3":"0.071","p180 QC2":"21.3","p180 Cal6":"0.069"},{"Metabolite":"PC aa C42:0","S104":"0.114","C97":"0.139","p180 Cal1":"0.025","TP03":"0.121","S58":"0.133","p180 Cal7":"0.029","C94":"0.139","S54":"0.112","PBS_02":"0.021","p180 Cal4":"0.028","p180 QC3":"0.372","TP01":"0.119","S60":"0.102","p180 Cal5":"0.032","S56":"0.143","PBS_03":"0.012","C42":"0.112","C36":"0.105","S111":"0.112","TP02":"0.127","p180 Cal2":"0.024","PBS_01":"0.013","C38":"0.12","p180 QC1":"0.432","C35":"0.104","p180 Cal3":"0.024","p180 QC2":"0.412","p180 Cal6":"0.03"},{"Metabolite":"PC aa C42:1","S104":"0.103","C97":"0.118","p180 Cal1":"0.005","TP03":"0.115","S58":"0.123","p180 Cal7":"0.07","C94":"0.131","S54":"0.108","PBS_02":"0.007","p180 Cal4":"0.024","p180 QC3":"0.218","TP01":"0.113","S60":"0.102","p180 Cal5":"0.041","S56":"0.116","PBS_03":"0.002","C42":"0.118","C36":"0.102","S111":"0.131","TP02":"0.108","p180 Cal2":"0.007","PBS_01":"0.005","C38":"0.115","p180 QC1":"0.218","C35":"0.085","p180 Cal3":"0.009","p180 QC2":"0.24","p180 Cal6":"0.055"},{"Metabolite":"PC aa C42:2","S104":"0.168","C97":"0.176","p180 Cal1":"0.023","TP03":"0.165","S58":"0.17","p180 Cal7":"0.026","C94":"0.174","S54":"0.162","PBS_02":"0.027","p180 Cal4":"0.018","p180 QC3":"0.189","TP01":"0.152","S60":"0.163","p180 Cal5":"0.023","S56":"0.194","PBS_03":"0.037","C42":"0.177","C36":"0.184","S111":"0.184","TP02":"0.191","p180 Cal2":"0.023","PBS_01":"0.025","C38":"0.17","p180 QC1":"0.209","C35":"0.141","p180 Cal3":"0.022","p180 QC2":"0.21","p180 Cal6":"0.024"},{"Metabolite":"PC aa C42:4","S104":"0.121","C97":"0.12","p180 Cal1":"0.005","TP03":"0.14","S58":"0.129","p180 Cal7":"0.005","C94":"0.136","S54":"0.115","PBS_02":"0.005","p180 Cal4":"0.005","p180 QC3":"0.217","TP01":"0.102","S60":"0.106","p180 Cal5":"0.003","S56":"0.127","PBS_03":"0.003","C42":"0.139","C36":"0.127","S111":"0.119","TP02":"0.133","p180 Cal2":"0.006","PBS_01":"0.004","C38":"0.114","p180 QC1":"0.276","C35":"0.083","p180 Cal3":"0.002","p180 QC2":"0.282","p180 Cal6":"0.008"},{"Metabolite":"PC aa C42:5","S104":"0.143","C97":"0.208","p180 Cal1":"0.019","TP03":"0.183","S58":"0.187","p180 Cal7":"0.009","C94":"0.182","S54":"0.172","PBS_02":"0.002","p180 Cal4":"0.016","p180 QC3":"0.279","TP01":"0.158","S60":"0.143","p180 Cal5":"0.016","S56":"0.189","PBS_03":"0","C42":"0.161","C36":"0.155","S111":"0.156","TP02":"0.167","p180 Cal2":"0.008","PBS_01":"0.002","C38":"0.152","p180 QC1":"0.303","C35":"0.119","p180 Cal3":"0.017","p180 QC2":"0.318","p180 Cal6":"0.014"},{"Metabolite":"PC aa C42:6","S104":"0.513","C97":"0.5","p180 Cal1":"0.106","TP03":"0.477","S58":"0.494","p180 Cal7":"0.108","C94":"0.501","S54":"0.464","PBS_02":"0.079","p180 Cal4":"0.101","p180 QC3":"0.382","TP01":"0.454","S60":"0.398","p180 Cal5":"0.1","S56":"0.535","PBS_03":"0.105","C42":"0.482","C36":"0.469","S111":"0.558","TP02":"0.488","p180 Cal2":"0.103","PBS_01":"0.082","C38":"0.42","p180 QC1":"0.417","C35":"0.369","p180 Cal3":"0.088","p180 QC2":"0.427","p180 Cal6":"0.092"},{"Metabolite":"PC ae C30:0","S104":"0.126","C97":"0.134","p180 Cal1":"0.05","TP03":"0.135","S58":"0.141","p180 Cal7":"0.048","C94":"0.12","S54":"0.118","PBS_02":"0.035","p180 Cal4":"0.056","p180 QC3":"0.191","TP01":"0.132","S60":"0.118","p180 Cal5":"0.05","S56":"0.131","PBS_03":"0.039","C42":"0.112","C36":"0.113","S111":"0.136","TP02":"0.123","p180 Cal2":"0.043","PBS_01":"0.034","C38":"0.13","p180 QC1":"0.212","C35":"0.128","p180 Cal3":"0.044","p180 QC2":"0.244","p180 Cal6":"0.049"},{"Metabolite":"PC ae C30:1","S104":"0.238","C97":"0.19","p180 Cal1":"0.006","TP03":"0.209","S58":"0.162","p180 Cal7":"0.007","C94":"0.177","S54":"0.196","PBS_02":"0","p180 Cal4":"0.006","p180 QC3":"0.158","TP01":"0.18","S60":"0.16","p180 Cal5":"0.005","S56":"0.223","PBS_03":"0","C42":"0.194","C36":"0.268","S111":"0.15","TP02":"0.221","p180 Cal2":"0.007","PBS_01":"0","C38":"0.192","p180 QC1":"0.169","C35":"0.268","p180 Cal3":"0.008","p180 QC2":"0.152","p180 Cal6":"0.004"},{"Metabolite":"PC ae C30:2","S104":"0.089","C97":"0.08","p180 Cal1":"0.007","TP03":"0.095","S58":"0.094","p180 Cal7":"0.014","C94":"0.08","S54":"0.09","PBS_02":"0.005","p180 Cal4":"0.013","p180 QC3":"0.128","TP01":"0.088","S60":"0.073","p180 Cal5":"0.009","S56":"0.092","PBS_03":"0.007","C42":"0.092","C36":"0.08","S111":"0.08","TP02":"0.089","p180 Cal2":"0.007","PBS_01":"0.005","C38":"0.086","p180 QC1":"0.137","C35":"0.093","p180 Cal3":"0.008","p180 QC2":"0.137","p180 Cal6":"0.013"},{"Metabolite":"PC ae C32:1","S104":"0.424","C97":"0.383","p180 Cal1":"0.004","TP03":"0.445","S58":"0.426","p180 Cal7":"0.003","C94":"0.46","S54":"0.435","PBS_02":"0.004","p180 Cal4":"0.003","p180 QC3":"1.31","TP01":"0.377","S60":"0.385","p180 Cal5":"0.003","S56":"0.523","PBS_03":"0","C42":"0.387","C36":"0.428","S111":"0.412","TP02":"0.43","p180 Cal2":"0.003","PBS_01":"0.001","C38":"0.392","p180 QC1":"1.42","C35":"0.354","p180 Cal3":"0.002","p180 QC2":"1.52","p180 Cal6":"0.001"},{"Metabolite":"PC ae C32:2","S104":"0.205","C97":"0.197","p180 Cal1":"0.003","TP03":"0.254","S58":"0.229","p180 Cal7":"0.002","C94":"0.227","S54":"0.24","PBS_02":"0.011","p180 Cal4":"0.003","p180 QC3":"0.391","TP01":"0.2","S60":"0.213","p180 Cal5":"0.001","S56":"0.271","PBS_03":"0.01","C42":"0.226","C36":"0.256","S111":"0.208","TP02":"0.233","p180 Cal2":"0.001","PBS_01":"0.013","C38":"0.206","p180 QC1":"0.418","C35":"0.201","p180 Cal3":"0.002","p180 QC2":"0.442","p180 Cal6":"0.003"},{"Metabolite":"PC ae C34:0","S104":"0.308","C97":"0.31","p180 Cal1":"0.019","TP03":"0.301","S58":"0.318","p180 Cal7":"0.009","C94":"0.314","S54":"0.375","PBS_02":"0.007","p180 Cal4":"0.014","p180 QC3":"0.7","TP01":"0.28","S60":"0.292","p180 Cal5":"0.013","S56":"0.299","PBS_03":"0.005","C42":"0.369","C36":"0.34","S111":"0.326","TP02":"0.271","p180 Cal2":"0.011","PBS_01":"0.003","C38":"0.265","p180 QC1":"0.737","C35":"0.236","p180 Cal3":"0.011","p180 QC2":"0.851","p180 Cal6":"0.011"},{"Metabolite":"PC ae C34:1","S104":"1.58","C97":"1.5","p180 Cal1":"0.025","TP03":"1.86","S58":"2.14","p180 Cal7":"0.015","C94":"1.71","S54":"1.74","PBS_02":"0.004","p180 Cal4":"0.027","p180 QC3":"3.78","TP01":"1.6","S60":"1.53","p180 Cal5":"0.018","S56":"2.14","PBS_03":"0.003","C42":"2.01","C36":"1.85","S111":"1.44","TP02":"1.77","p180 Cal2":"0.029","PBS_01":"0.001","C38":"1.54","p180 QC1":"4.39","C35":"1.34","p180 Cal3":"0.022","p180 QC2":"4.52","p180 Cal6":"0.014"},{"Metabolite":"PC ae C34:2","S104":"2.09","C97":"2.02","p180 Cal1":"0.004","TP03":"2.44","S58":"2.6","p180 Cal7":"0.002","C94":"2.32","S54":"2.48","PBS_02":"0.001","p180 Cal4":"0.002","p180 QC3":"5.39","TP01":"2.06","S60":"2.08","p180 Cal5":"0.003","S56":"2.82","PBS_03":"0.001","C42":"2.82","C36":"2.6","S111":"2.21","TP02":"2.37","p180 Cal2":"0.002","PBS_01":"0.001","C38":"1.98","p180 QC1":"6.26","C35":"1.83","p180 Cal3":"0.002","p180 QC2":"6.5","p180 Cal6":"0.002"},{"Metabolite":"PC ae C34:3","S104":"0.61","C97":"0.657","p180 Cal1":"0.002","TP03":"0.686","S58":"0.74","p180 Cal7":"0.004","C94":"0.733","S54":"0.659","PBS_02":"0.001","p180 Cal4":"0.007","p180 QC3":"4.52","TP01":"0.582","S60":"0.624","p180 Cal5":"0.002","S56":"0.835","PBS_03":"0.001","C42":"0.668","C36":"0.673","S111":"0.619","TP02":"0.702","p180 Cal2":"0.003","PBS_01":"0.001","C38":"0.63","p180 QC1":"5.34","C35":"0.519","p180 Cal3":"0.003","p180 QC2":"5.43","p180 Cal6":"0.004"},{"Metabolite":"PC ae C36:0","S104":"0.265","C97":"0.302","p180 Cal1":"0.029","TP03":"0.297","S58":"0.283","p180 Cal7":"0.029","C94":"0.29","S54":"0.293","PBS_02":"0.033","p180 Cal4":"0.028","p180 QC3":"0.419","TP01":"0.281","S60":"0.271","p180 Cal5":"0.032","S56":"0.35","PBS_03":"0.03","C42":"0.28","C36":"0.348","S111":"0.324","TP02":"0.273","p180 Cal2":"0.028","PBS_01":"0.028","C38":"0.285","p180 QC1":"0.513","C35":"0.237","p180 Cal3":"0.029","p180 QC2":"0.618","p180 Cal6":"0.027"},{"Metabolite":"PC ae C36:1","S104":"1.53","C97":"1.58","p180 Cal1":"0.013","TP03":"1.81","S58":"2","p180 Cal7":"0.008","C94":"1.62","S54":"1.69","PBS_02":"0.019","p180 Cal4":"0.015","p180 QC3":"6.74","TP01":"1.48","S60":"1.57","p180 Cal5":"0.014","S56":"1.98","PBS_03":"0.017","C42":"2.02","C36":"1.96","S111":"1.65","TP02":"1.67","p180 Cal2":"0.012","PBS_01":"0.022","C38":"1.39","p180 QC1":"7.9","C35":"1.24","p180 Cal3":"0.008","p180 QC2":"8.11","p180 Cal6":"0.011"},{"Metabolite":"PC ae C36:2","S104":"6.51","C97":"5.87","p180 Cal1":"0.011","TP03":"7.18","S58":"7.48","p180 Cal7":"0.017","C94":"7.22","S54":"7.58","PBS_02":"0.009","p180 Cal4":"0.01","p180 QC3":"7.17","TP01":"6.06","S60":"5.92","p180 Cal5":"0.016","S56":"8.05","PBS_03":"0.009","C42":"8.46","C36":"7.54","S111":"6.5","TP02":"7.17","p180 Cal2":"0.015","PBS_01":"0.009","C38":"5.79","p180 QC1":"8.11","C35":"4.66","p180 Cal3":"0.012","p180 QC2":"8.38","p180 Cal6":"0.008"},{"Metabolite":"PC ae C36:3","S104":"1.26","C97":"1.23","p180 Cal1":"0.003","TP03":"1.56","S58":"1.65","p180 Cal7":"0.002","C94":"1.37","S54":"1.57","PBS_02":"0","p180 Cal4":"0.001","p180 QC3":"3.97","TP01":"1.24","S60":"1.33","p180 Cal5":"0.002","S56":"1.73","PBS_03":"0.001","C42":"1.72","C36":"1.69","S111":"1.35","TP02":"1.45","p180 Cal2":"0.002","PBS_01":"0.002","C38":"1.18","p180 QC1":"4.67","C35":"1.06","p180 Cal3":"0","p180 QC2":"4.78","p180 Cal6":"0.002"},{"Metabolite":"PC ae C36:4","S104":"2.14","C97":"2.04","p180 Cal1":"0.005","TP03":"2.47","S58":"2.71","p180 Cal7":"0.007","C94":"2.66","S54":"2.36","PBS_02":"0.004","p180 Cal4":"0.012","p180 QC3":"10","TP01":"2.08","S60":"2.03","p180 Cal5":"0.005","S56":"2.94","PBS_03":"0.007","C42":"2.81","C36":"2.31","S111":"2.13","TP02":"2.41","p180 Cal2":"0.008","PBS_01":"0.004","C38":"2.33","p180 QC1":"11.6","C35":"1.6","p180 Cal3":"0.01","p180 QC2":"11.9","p180 Cal6":"0.003"},{"Metabolite":"PC ae C36:5","S104":"1.2","C97":"1.28","p180 Cal1":"0.006","TP03":"1.39","S58":"1.58","p180 Cal7":"0.011","C94":"1.62","S54":"1.26","PBS_02":"0.002","p180 Cal4":"0.007","p180 QC3":"7.34","TP01":"1.18","S60":"1.17","p180 Cal5":"0.006","S56":"1.59","PBS_03":"0.004","C42":"1.47","C36":"1.28","S111":"1.29","TP02":"1.35","p180 Cal2":"0.007","PBS_01":"0.003","C38":"1.33","p180 QC1":"8.91","C35":"0.813","p180 Cal3":"0.005","p180 QC2":"8.92","p180 Cal6":"0.004"},{"Metabolite":"PC ae C38:0","S104":"1.46","C97":"1.49","p180 Cal1":"0.046","TP03":"1.59","S58":"1.77","p180 Cal7":"0.049","C94":"1.43","S54":"1.67","PBS_02":"0.043","p180 Cal4":"0.047","p180 QC3":"1.54","TP01":"1.34","S60":"1.34","p180 Cal5":"0.048","S56":"1.77","PBS_03":"0.034","C42":"1.51","C36":"1.63","S111":"1.39","TP02":"1.56","p180 Cal2":"0.051","PBS_01":"0.038","C38":"1.35","p180 QC1":"1.8","C35":"1.07","p180 Cal3":"0.043","p180 QC2":"1.85","p180 Cal6":"0.054"},{"Metabolite":"PC ae C38:1","S104":"0.513","C97":"0.563","p180 Cal1":"0.007","TP03":"0.562","S58":"0.549","p180 Cal7":"0.003","C94":"0.6","S54":"0.502","PBS_02":"0.004","p180 Cal4":"0.003","p180 QC3":"2.18","TP01":"0.505","S60":"0.547","p180 Cal5":"0.005","S56":"0.557","PBS_03":"0.004","C42":"0.528","C36":"0.721","S111":"0.511","TP02":"0.526","p180 Cal2":"0.004","PBS_01":"0.001","C38":"0.481","p180 QC1":"2.55","C35":"0.354","p180 Cal3":"0.007","p180 QC2":"2.58","p180 Cal6":"0.004"},{"Metabolite":"PC ae C38:2","S104":"2.54","C97":"2.24","p180 Cal1":"0.008","TP03":"2.65","S58":"2.52","p180 Cal7":"0.006","C94":"2.73","S54":"2.77","PBS_02":"0.001","p180 Cal4":"0.003","p180 QC3":"2.7","TP01":"2.16","S60":"2.29","p180 Cal5":"0.007","S56":"2.88","PBS_03":"0.001","C42":"2.84","C36":"2.83","S111":"2.35","TP02":"2.52","p180 Cal2":"0.007","PBS_01":"0.003","C38":"2.1","p180 QC1":"3.25","C35":"1.93","p180 Cal3":"0.007","p180 QC2":"3.21","p180 Cal6":"0.007"},{"Metabolite":"PC ae C38:3","S104":"1.24","C97":"1.16","p180 Cal1":"0.002","TP03":"1.32","S58":"1.44","p180 Cal7":"0.003","C94":"1.21","S54":"1.34","PBS_02":"0.002","p180 Cal4":"0.001","p180 QC3":"5.64","TP01":"1.13","S60":"1.1","p180 Cal5":"0.002","S56":"1.52","PBS_03":"0","C42":"1.47","C36":"1.37","S111":"1.16","TP02":"1.31","p180 Cal2":"0.002","PBS_01":"0.001","C38":"1.1","p180 QC1":"6.57","C35":"0.997","p180 Cal3":"0.001","p180 QC2":"6.87","p180 Cal6":"0.001"},{"Metabolite":"PC ae C38:4","S104":"2.72","C97":"2.47","p180 Cal1":"0.01","TP03":"2.97","S58":"3.37","p180 Cal7":"0.015","C94":"2.95","S54":"3.1","PBS_02":"0.005","p180 Cal4":"0.013","p180 QC3":"7.56","TP01":"2.48","S60":"2.32","p180 Cal5":"0.013","S56":"3.37","PBS_03":"0.008","C42":"3.43","C36":"2.76","S111":"2.54","TP02":"2.85","p180 Cal2":"0.009","PBS_01":"0.008","C38":"2.7","p180 QC1":"8.79","C35":"2.07","p180 Cal3":"0.006","p180 QC2":"8.85","p180 Cal6":"0.011"},{"Metabolite":"PC ae C38:5","S104":"2.2","C97":"2.17","p180 Cal1":"0.007","TP03":"2.49","S58":"2.73","p180 Cal7":"0.007","C94":"2.7","S54":"2.4","PBS_02":"0.005","p180 Cal4":"0.011","p180 QC3":"9.92","TP01":"1.95","S60":"1.93","p180 Cal5":"0.006","S56":"2.89","PBS_03":"0.004","C42":"2.71","C36":"2.28","S111":"2.03","TP02":"2.34","p180 Cal2":"0.008","PBS_01":"0.006","C38":"2.17","p180 QC1":"11.7","C35":"1.58","p180 Cal3":"0.004","p180 QC2":"12.1","p180 Cal6":"0.006"},{"Metabolite":"PC ae C38:6","S104":"1.61","C97":"1.61","p180 Cal1":"0.001","TP03":"1.8","S58":"2.02","p180 Cal7":"0.014","C94":"1.94","S54":"1.78","PBS_02":"0.003","p180 Cal4":"0.007","p180 QC3":"4.46","TP01":"1.63","S60":"1.54","p180 Cal5":"0.007","S56":"2.14","PBS_03":"0.005","C42":"1.97","C36":"1.64","S111":"1.61","TP02":"1.79","p180 Cal2":"0.004","PBS_01":"0.001","C38":"1.55","p180 QC1":"5.28","C35":"1.29","p180 Cal3":"0.003","p180 QC2":"5.32","p180 Cal6":"0.01"},{"Metabolite":"PC ae C40:1","S104":"1.93","C97":"1.98","p180 Cal1":"0.005","TP03":"2.08","S58":"2.33","p180 Cal7":"0.028","C94":"1.82","S54":"2.11","PBS_02":"0.006","p180 Cal4":"0.011","p180 QC3":"0.895","TP01":"1.69","S60":"1.46","p180 Cal5":"0.015","S56":"2.25","PBS_03":"0.003","C42":"1.99","C36":"1.98","S111":"1.93","TP02":"2.03","p180 Cal2":"0.008","PBS_01":"0.004","C38":"1.71","p180 QC1":"1.08","C35":"1.15","p180 Cal3":"0.007","p180 QC2":"1.09","p180 Cal6":"0.02"},{"Metabolite":"PC ae C40:2","S104":"0.431","C97":"0.4","p180 Cal1":"0.004","TP03":"0.472","S58":"0.551","p180 Cal7":"0.003","C94":"0.462","S54":"0.396","PBS_02":"0.001","p180 Cal4":"0.004","p180 QC3":"1.37","TP01":"0.409","S60":"0.408","p180 Cal5":"0.002","S56":"0.507","PBS_03":"0.003","C42":"0.418","C36":"0.426","S111":"0.417","TP02":"0.44","p180 Cal2":"0.002","PBS_01":"0.002","C38":"0.374","p180 QC1":"1.65","C35":"0.289","p180 Cal3":"0.002","p180 QC2":"1.64","p180 Cal6":"0.004"},{"Metabolite":"PC ae C40:3","S104":"0.589","C97":"0.61","p180 Cal1":"0.005","TP03":"0.696","S58":"0.729","p180 Cal7":"0.003","C94":"0.635","S54":"0.609","PBS_02":"0.003","p180 Cal4":"0.005","p180 QC3":"3.05","TP01":"0.546","S60":"0.576","p180 Cal5":"0.003","S56":"0.732","PBS_03":"0.003","C42":"0.607","C36":"0.611","S111":"0.527","TP02":"0.604","p180 Cal2":"0.005","PBS_01":"0.003","C38":"0.541","p180 QC1":"3.7","C35":"0.498","p180 Cal3":"0.005","p180 QC2":"3.86","p180 Cal6":"0.003"},{"Metabolite":"PC ae C40:4","S104":"1.03","C97":"1.03","p180 Cal1":"0.022","TP03":"1.17","S58":"1.16","p180 Cal7":"0.025","C94":"1.11","S54":"1.08","PBS_02":"0.022","p180 Cal4":"0.024","p180 QC3":"2.71","TP01":"0.951","S60":"0.894","p180 Cal5":"0.029","S56":"1.25","PBS_03":"0.02","C42":"1.08","C36":"1.07","S111":"1","TP02":"1.07","p180 Cal2":"0.025","PBS_01":"0.02","C38":"1.04","p180 QC1":"3.08","C35":"0.883","p180 Cal3":"0.021","p180 QC2":"3.2","p180 Cal6":"0.031"},{"Metabolite":"PC ae C40:5","S104":"1.05","C97":"1.07","p180 Cal1":"0.001","TP03":"1.13","S58":"1.2","p180 Cal7":"0.003","C94":"1.13","S54":"1.05","PBS_02":"0.002","p180 Cal4":"0.003","p180 QC3":"3.9","TP01":"0.971","S60":"0.973","p180 Cal5":"0.002","S56":"1.23","PBS_03":"0.003","C42":"1.07","C36":"1.04","S111":"1.07","TP02":"1.09","p180 Cal2":"0.002","PBS_01":"0.001","C38":"1.04","p180 QC1":"4.56","C35":"0.848","p180 Cal3":"0.002","p180 QC2":"4.77","p180 Cal6":"0.003"},{"Metabolite":"PC ae C40:6","S104":"2.51","C97":"2.55","p180 Cal1":"0.006","TP03":"2.72","S58":"3.12","p180 Cal7":"0.009","C94":"2.75","S54":"2.7","PBS_02":"0.006","p180 Cal4":"0.006","p180 QC3":"2.93","TP01":"2.21","S60":"2","p180 Cal5":"0.004","S56":"2.97","PBS_03":"0.002","C42":"2.98","C36":"2.37","S111":"2.31","TP02":"2.59","p180 Cal2":"0.004","PBS_01":"0.003","C38":"2.12","p180 QC1":"3.39","C35":"1.67","p180 Cal3":"0.008","p180 QC2":"3.53","p180 Cal6":"0.005"},{"Metabolite":"PC ae C42:0","S104":"0.829","C97":"0.826","p180 Cal1":"0.401","TP03":"0.862","S58":"0.88","p180 Cal7":"0.427","C94":"0.744","S54":"0.886","PBS_02":"0.421","p180 Cal4":"0.42","p180 QC3":"0.651","TP01":"0.756","S60":"0.759","p180 Cal5":"0.389","S56":"0.874","PBS_03":"0.353","C42":"0.797","C36":"0.851","S111":"0.804","TP02":"0.805","p180 Cal2":"0.389","PBS_01":"0.396","C38":"0.745","p180 QC1":"0.66","C35":"0.771","p180 Cal3":"0.394","p180 QC2":"0.636","p180 Cal6":"0.405"},{"Metabolite":"PC ae C42:1","S104":"0.355","C97":"0.39","p180 Cal1":"0.039","TP03":"0.36","S58":"0.402","p180 Cal7":"0.038","C94":"0.305","S54":"0.382","PBS_02":"0.046","p180 Cal4":"0.042","p180 QC3":"0.392","TP01":"0.33","S60":"0.286","p180 Cal5":"0.045","S56":"0.421","PBS_03":"0.044","C42":"0.351","C36":"0.382","S111":"0.374","TP02":"0.359","p180 Cal2":"0.033","PBS_01":"0.054","C38":"0.328","p180 QC1":"0.459","C35":"0.323","p180 Cal3":"0.032","p180 QC2":"0.469","p180 Cal6":"0.038"},{"Metabolite":"PC ae C42:2","S104":"0.224","C97":"0.228","p180 Cal1":"0.004","TP03":"0.23","S58":"0.303","p180 Cal7":"0.004","C94":"0.234","S54":"0.232","PBS_02":"0.007","p180 Cal4":"0.007","p180 QC3":"0.353","TP01":"0.191","S60":"0.204","p180 Cal5":"0.004","S56":"0.281","PBS_03":"0.004","C42":"0.255","C36":"0.237","S111":"0.229","TP02":"0.226","p180 Cal2":"0.005","PBS_01":"0.007","C38":"0.213","p180 QC1":"0.426","C35":"0.141","p180 Cal3":"0.005","p180 QC2":"0.424","p180 Cal6":"0.003"},{"Metabolite":"PC ae C42:3","S104":"0.605","C97":"0.635","p180 Cal1":"0.005","TP03":"0.676","S58":"0.757","p180 Cal7":"0.008","C94":"0.613","S54":"0.631","PBS_02":"0.003","p180 Cal4":"0.005","p180 QC3":"0.546","TP01":"0.552","S60":"0.508","p180 Cal5":"0.005","S56":"0.724","PBS_03":"0.001","C42":"0.585","C36":"0.632","S111":"0.553","TP02":"0.623","p180 Cal2":"0.005","PBS_01":"0.002","C38":"0.545","p180 QC1":"0.636","C35":"0.378","p180 Cal3":"0.004","p180 QC2":"0.661","p180 Cal6":"0.007"},{"Metabolite":"PC ae C42:4","S104":"0.211","C97":"0.241","p180 Cal1":"0","TP03":"0.254","S58":"0.334","p180 Cal7":"0","C94":"0.258","S54":"0.248","PBS_02":"0","p180 Cal4":"0","p180 QC3":"0.701","TP01":"0.238","S60":"0.214","p180 Cal5":"0","S56":"0.34","PBS_03":"0","C42":"0.241","C36":"0.273","S111":"0.223","TP02":"0.271","p180 Cal2":"0","PBS_01":"0","C38":"0.233","p180 QC1":"0.868","C35":"0.193","p180 Cal3":"0","p180 QC2":"0.913","p180 Cal6":"0"},{"Metabolite":"PC ae C42:5","S104":"0.548","C97":"0.525","p180 Cal1":"0.222","TP03":"0.58","S58":"0.539","p180 Cal7":"0.217","C94":"0.581","S54":"0.513","PBS_02":"0.207","p180 Cal4":"0.226","p180 QC3":"1.66","TP01":"0.471","S60":"0.519","p180 Cal5":"0.228","S56":"0.575","PBS_03":"0.203","C42":"0.558","C36":"0.552","S111":"0.488","TP02":"0.532","p180 Cal2":"0.227","PBS_01":"0.205","C38":"0.517","p180 QC1":"1.99","C35":"0.465","p180 Cal3":"0.218","p180 QC2":"1.98","p180 Cal6":"0.214"},{"Metabolite":"PC ae C44:3","S104":"0.059","C97":"0.062","p180 Cal1":"0.009","TP03":"0.049","S58":"0.064","p180 Cal7":"0.01","C94":"0.059","S54":"0.048","PBS_02":"0.012","p180 Cal4":"0.013","p180 QC3":"0.114","TP01":"0.051","S60":"0.054","p180 Cal5":"0.009","S56":"0.064","PBS_03":"0.01","C42":"0.057","C36":"0.056","S111":"0.047","TP02":"0.052","p180 Cal2":"0.008","PBS_01":"0.007","C38":"0.055","p180 QC1":"0.138","C35":"0.048","p180 Cal3":"0.01","p180 QC2":"0.144","p180 Cal6":"0.01"},{"Metabolite":"PC ae C44:4","S104":"0.076","C97":"0.092","p180 Cal1":"0.028","TP03":"0.108","S58":"0.094","p180 Cal7":"0.027","C94":"0.092","S54":"0.085","PBS_02":"0.023","p180 Cal4":"0.03","p180 QC3":"0.244","TP01":"0.084","S60":"0.085","p180 Cal5":"0.033","S56":"0.104","PBS_03":"0.028","C42":"0.1","C36":"0.1","S111":"0.091","TP02":"0.098","p180 Cal2":"0.033","PBS_01":"0.028","C38":"0.076","p180 QC1":"0.233","C35":"0.08","p180 Cal3":"0.026","p180 QC2":"0.263","p180 Cal6":"0.032"},{"Metabolite":"PC ae C44:5","S104":"0.132","C97":"0.132","p180 Cal1":"0.019","TP03":"0.125","S58":"0.165","p180 Cal7":"0.02","C94":"0.13","S54":"0.142","PBS_02":"0.017","p180 Cal4":"0.024","p180 QC3":"0.752","TP01":"0.119","S60":"0.11","p180 Cal5":"0.019","S56":"0.144","PBS_03":"0.011","C42":"0.133","C36":"0.118","S111":"0.119","TP02":"0.131","p180 Cal2":"0.02","PBS_01":"0.017","C38":"0.126","p180 QC1":"0.928","C35":"0.089","p180 Cal3":"0.018","p180 QC2":"0.959","p180 Cal6":"0.018"},{"Metabolite":"PC ae C44:6","S104":"0.106","C97":"0.117","p180 Cal1":"0.014","TP03":"0.129","S58":"0.136","p180 Cal7":"0.015","C94":"0.145","S54":"0.117","PBS_02":"0.017","p180 Cal4":"0.018","p180 QC3":"0.719","TP01":"0.105","S60":"0.095","p180 Cal5":"0.02","S56":"0.151","PBS_03":"0.013","C42":"0.117","C36":"0.127","S111":"0.104","TP02":"0.111","p180 Cal2":"0.016","PBS_01":"0.017","C38":"0.113","p180 QC1":"0.806","C35":"0.091","p180 Cal3":"0.017","p180 QC2":"0.848","p180 Cal6":"0.014"},{"Metabolite":"SM (OH) C14:1","S104":"1.33","C97":"1.11","p180 Cal1":"0.001","TP03":"1.37","S58":"1.47","p180 Cal7":"0","C94":"1.45","S54":"1.46","PBS_02":"0.032","p180 Cal4":"0","p180 QC3":"3.18","TP01":"1.23","S60":"1.32","p180 Cal5":"0.002","S56":"1.39","PBS_03":"0.028","C42":"1.26","C36":"1.42","S111":"1.33","TP02":"1.33","p180 Cal2":"0.002","PBS_01":"0.033","C38":"1.23","p180 QC1":"3.9","C35":"0.772","p180 Cal3":"0.003","p180 QC2":"3.87","p180 Cal6":"0"},{"Metabolite":"SM (OH) C16:1","S104":"0.312","C97":"0.298","p180 Cal1":"0.002","TP03":"0.361","S58":"0.39","p180 Cal7":"0","C94":"0.372","S54":"0.321","PBS_02":"0","p180 Cal4":"0.003","p180 QC3":"1.99","TP01":"0.308","S60":"0.309","p180 Cal5":"0.002","S56":"0.378","PBS_03":"0","C42":"0.333","C36":"0.375","S111":"0.341","TP02":"0.332","p180 Cal2":"0.001","PBS_01":"0","C38":"0.328","p180 QC1":"2.38","C35":"0.22","p180 Cal3":"0.002","p180 QC2":"2.34","p180 Cal6":"0.002"},{"Metabolite":"SM (OH) C22:1","S104":"1.98","C97":"1.91","p180 Cal1":"0","TP03":"2.31","S58":"2.46","p180 Cal7":"0.003","C94":"2.28","S54":"2.32","PBS_02":"0.002","p180 Cal4":"0.004","p180 QC3":"9.02","TP01":"1.85","S60":"1.78","p180 Cal5":"0.002","S56":"2.02","PBS_03":"0.002","C42":"1.97","C36":"2","S111":"1.99","TP02":"1.95","p180 Cal2":"0.003","PBS_01":"0","C38":"1.64","p180 QC1":"10.5","C35":"1.2","p180 Cal3":"0.002","p180 QC2":"10.9","p180 Cal6":"0.003"},{"Metabolite":"SM (OH) C22:2","S104":"1.59","C97":"1.35","p180 Cal1":"0.011","TP03":"1.86","S58":"1.94","p180 Cal7":"0.006","C94":"1.65","S54":"1.77","PBS_02":"0","p180 Cal4":"0.009","p180 QC3":"5.53","TP01":"1.51","S60":"1.58","p180 Cal5":"0.006","S56":"1.9","PBS_03":"0.003","C42":"1.51","C36":"1.63","S111":"1.63","TP02":"1.55","p180 Cal2":"0.01","PBS_01":"0.001","C38":"1.42","p180 QC1":"6.46","C35":"1.04","p180 Cal3":"0.009","p180 QC2":"6.56","p180 Cal6":"0.008"},{"Metabolite":"SM (OH) C24:1","S104":"0.347","C97":"0.464","p180 Cal1":"0.002","TP03":"0.481","S58":"0.53","p180 Cal7":"0.009","C94":"0.425","S54":"0.439","PBS_02":"0.003","p180 Cal4":"0.004","p180 QC3":"1.07","TP01":"0.371","S60":"0.386","p180 Cal5":"0.006","S56":"0.497","PBS_03":"0.006","C42":"0.448","C36":"0.421","S111":"0.4","TP02":"0.418","p180 Cal2":"0.002","PBS_01":"0.004","C38":"0.347","p180 QC1":"1.22","C35":"0.267","p180 Cal3":"0.005","p180 QC2":"1.18","p180 Cal6":"0.008"},{"Metabolite":"SM C16:0","S104":"13.8","C97":"15.7","p180 Cal1":"0.011","TP03":"17.2","S58":"18.5","p180 Cal7":"0.004","C94":"19","S54":"15.4","PBS_02":"0.003","p180 Cal4":"0.006","p180 QC3":"68.4","TP01":"14.6","S60":"14.2","p180 Cal5":"0.005","S56":"18","PBS_03":"0.005","C42":"14.9","C36":"16.3","S111":"14.8","TP02":"16","p180 Cal2":"0.008","PBS_01":"0.001","C38":"14.9","p180 QC1":"81.1","C35":"11.3","p180 Cal3":"0.01","p180 QC2":"81.9","p180 Cal6":"0.006"},{"Metabolite":"SM C16:1","S104":"1.94","C97":"1.93","p180 Cal1":"0.001","TP03":"2.27","S58":"2.43","p180 Cal7":"0.002","C94":"2.52","S54":"2.11","PBS_02":"0.003","p180 Cal4":"0.001","p180 QC3":"10.5","TP01":"1.88","S60":"1.95","p180 Cal5":"0.004","S56":"2.47","PBS_03":"0.001","C42":"2","C36":"2.08","S111":"1.96","TP02":"2.21","p180 Cal2":"0.001","PBS_01":"0.003","C38":"1.83","p180 QC1":"12.5","C35":"1.23","p180 Cal3":"0.003","p180 QC2":"12.5","p180 Cal6":"0.002"},{"Metabolite":"SM C18:0","S104":"1.7","C97":"1.98","p180 Cal1":"0.007","TP03":"2.11","S58":"2.36","p180 Cal7":"0.004","C94":"2.64","S54":"1.9","PBS_02":"0.008","p180 Cal4":"0.002","p180 QC3":"16","TP01":"1.81","S60":"1.67","p180 Cal5":"0.004","S56":"2.29","PBS_03":"0.013","C42":"1.8","C36":"1.78","S111":"1.66","TP02":"1.95","p180 Cal2":"0.003","PBS_01":"0.009","C38":"1.87","p180 QC1":"18","C35":"1.2","p180 Cal3":"0.002","p180 QC2":"18.5","p180 Cal6":"0.002"},{"Metabolite":"SM C18:1","S104":"0.666","C97":"0.715","p180 Cal1":"0","TP03":"0.78","S58":"0.848","p180 Cal7":"0.001","C94":"0.986","S54":"0.761","PBS_02":"0.002","p180 Cal4":"0.003","p180 QC3":"8.14","TP01":"0.663","S60":"0.703","p180 Cal5":"0.001","S56":"0.954","PBS_03":"0","C42":"0.683","C36":"0.691","S111":"0.693","TP02":"0.763","p180 Cal2":"0.002","PBS_01":"0.002","C38":"0.734","p180 QC1":"9.57","C35":"0.479","p180 Cal3":"0.001","p180 QC2":"9.73","p180 Cal6":"0.001"},{"Metabolite":"SM C20:2","S104":"0.08","C97":"0.124","p180 Cal1":"0.002","TP03":"0.077","S58":"0.138","p180 Cal7":"0.001","C94":"0.135","S54":"0.1","PBS_02":"0.002","p180 Cal4":"0.003","p180 QC3":"0.401","TP01":"0.093","S60":"0.079","p180 Cal5":"0","S56":"0.133","PBS_03":"0","C42":"0.097","C36":"0.096","S111":"0.095","TP02":"0.087","p180 Cal2":"0","PBS_01":"0.004","C38":"0.08","p180 QC1":"0.47","C35":"0.067","p180 Cal3":"0","p180 QC2":"0.523","p180 Cal6":"0"},{"Metabolite":"SM C22:3","S104":"0.526","C97":"0.463","p180 Cal1":"0.001","TP03":"0.607","S58":"0.642","p180 Cal7":"0","C94":"0.511","S54":"0.672","PBS_02":"0","p180 Cal4":"0.001","p180 QC3":"1.16","TP01":"0.516","S60":"0.432","p180 Cal5":"0.001","S56":"0.601","PBS_03":"0.005","C42":"0.595","C36":"0.565","S111":"0.489","TP02":"0.509","p180 Cal2":"0","PBS_01":"0","C38":"0.513","p180 QC1":"1.13","C35":"0.461","p180 Cal3":"0.003","p180 QC2":"1.26","p180 Cal6":"0.002"},{"Metabolite":"SM C24:0","S104":"4.4","C97":"5.28","p180 Cal1":"0.004","TP03":"5.32","S58":"5.65","p180 Cal7":"0.007","C94":"5.14","S54":"5.06","PBS_02":"0.002","p180 Cal4":"0.008","p180 QC3":"18.9","TP01":"4.33","S60":"4.42","p180 Cal5":"0.005","S56":"5.16","PBS_03":"0.008","C42":"5.2","C36":"5.01","S111":"5.02","TP02":"4.55","p180 Cal2":"0.005","PBS_01":"0.004","C38":"4.09","p180 QC1":"21.7","C35":"3.07","p180 Cal3":"0.004","p180 QC2":"22.1","p180 Cal6":"0.009"},{"Metabolite":"SM C24:1","S104":"15.8","C97":"17.6","p180 Cal1":"0.001","TP03":"18.4","S58":"19.5","p180 Cal7":"0.025","C94":"17.9","S54":"18.3","PBS_02":"0.005","p180 Cal4":"0.013","p180 QC3":"35.7","TP01":"15.9","S60":"16","p180 Cal5":"0.017","S56":"19.9","PBS_03":"0.002","C42":"15.8","C36":"16.1","S111":"18.8","TP02":"17.5","p180 Cal2":"0.002","PBS_01":"0.002","C38":"15.7","p180 QC1":"41.2","C35":"10.7","p180 Cal3":"0.007","p180 QC2":"41.8","p180 Cal6":"0.022"},{"Metabolite":"SM C26:0","S104":"0.05","C97":"0.078","p180 Cal1":"0.002","TP03":"0.053","S58":"0.055","p180 Cal7":"0.016","C94":"0.074","S54":"0.074","PBS_02":"0.016","p180 Cal4":"0.008","p180 QC3":"0.154","TP01":"0.066","S60":"0.081","p180 Cal5":"0.011","S56":"0.084","PBS_03":"0.013","C42":"0.067","C36":"0.084","S111":"0.068","TP02":"0.051","p180 Cal2":"0.007","PBS_01":"0.011","C38":"0.032","p180 QC1":"0.222","C35":"0.04","p180 Cal3":"0.009","p180 QC2":"0.206","p180 Cal6":"0.019"},{"Metabolite":"SM C26:1","S104":"0.039","C97":"0.042","p180 Cal1":"0.001","TP03":"0.097","S58":"0.053","p180 Cal7":"0.001","C94":"0.087","S54":"0.067","PBS_02":"0.002","p180 Cal4":"0.002","p180 QC3":"0.308","TP01":"0.056","S60":"0.085","p180 Cal5":"0.002","S56":"0.044","PBS_03":"0.001","C42":"0.039","C36":"0.075","S111":"0.089","TP02":"0.071","p180 Cal2":"0.003","PBS_01":"0.001","C38":"0.064","p180 QC1":"0.398","C35":"0.068","p180 Cal3":"0","p180 QC2":"0.315","p180 Cal6":"0.001"},{"Metabolite":"H1","S104":"3529","C97":"5218","p180 Cal1":"664","TP03":"5106","S58":"5563","p180 Cal7":"640","C94":"3683","S54":"5170","PBS_02":"5.45","p180 Cal4":"644","p180 QC3":"14895","TP01":"4317","S60":"4775","p180 Cal5":"589","S56":"5528","PBS_03":"6.47","C42":"4565","C36":"5253","S111":"3550","TP02":"4902","p180 Cal2":"598","PBS_01":"6.66","C38":"4134","p180 QC1":"5373","C35":"4595","p180 Cal3":"632","p180 QC2":"12105","p180 Cal6":"693"}],

"Metabolites":[{"Metabolite":"C0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C10","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C10:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C10:2","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C12","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C12-DC","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C12:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C14","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C14:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C14:1-OH","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C14:2","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C14:2-OH","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C16","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C16-OH","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C16:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C16:1-OH","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C16:2","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C16:2-OH","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C18","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C18:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C18:1-OH","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C18:2","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C2","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C3","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C3-DC (C4-OH)","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C3-OH","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C3:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C4","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C4:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C6 (C4:1-DC)","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C5","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C5-M-DC","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C5-OH (C3-DC-M)","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C5:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C5:1-DC","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C5-DC (C6-OH)","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C6:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C7-DC","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C8","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"C9","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Ala","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Arg","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Asn","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Asp","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Cit","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Gln","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Glu","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Gly","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"His","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Ile","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Leu","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Lys","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Met","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Orn","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Phe","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Pro","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Ser","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Thr","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Trp","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Tyr","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Val","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Ac-Orn","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"ADMA","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"alpha-AAA","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"c4-OH-Pro","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Carnosine","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Creatinine","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"DOPA","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Dopamine","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Histamine","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Kynurenine","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Met-SO","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Nitro-Tyr","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PEA","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Putrescine","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"SDMA","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Serotonin","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Spermidine","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Spermine","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"t4-OH-Pro","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Taurine","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"total DMA","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"lysoPC a C14:0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"lysoPC a C16:0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"lysoPC a C16:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"lysoPC a C17:0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"lysoPC a C18:0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"lysoPC a C18:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"lysoPC a C18:2","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"lysoPC a C20:3","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"lysoPC a C20:4","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"lysoPC a C24:0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"lysoPC a C26:0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"lysoPC a C26:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"lysoPC a C28:0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"lysoPC a C28:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C24:0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C26:0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C28:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C30:0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C30:2","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C32:0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C32:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C32:2","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C32:3","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C34:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C34:2","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C34:3","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C34:4","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C36:0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C36:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C36:2","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C36:3","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C36:4","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C36:5","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C36:6","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C38:0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C38:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C38:3","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C38:4","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C38:5","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C38:6","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C40:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C40:2","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C40:3","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C40:4","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C40:5","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C40:6","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C42:0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C42:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C42:2","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C42:4","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C42:5","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC aa C42:6","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C30:0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C30:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C30:2","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C32:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C32:2","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C34:0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C34:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C34:2","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C34:3","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C36:0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C36:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C36:2","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C36:3","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C36:4","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C36:5","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C38:0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C38:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C38:2","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C38:3","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C38:4","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C38:5","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C38:6","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C40:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C40:2","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C40:3","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C40:4","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C40:5","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C40:6","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C42:0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C42:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C42:2","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C42:3","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C42:4","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C42:5","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C44:3","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C44:4","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C44:5","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"PC ae C44:6","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"SM (OH) C14:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"SM (OH) C16:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"SM (OH) C22:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"SM (OH) C22:2","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"SM (OH) C24:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"SM C16:0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"SM C16:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"SM C18:0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"SM C18:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"SM C20:2","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"SM C22:3","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"SM C24:0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"SM C24:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"SM C26:0","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"SM C26:1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"H1","retention index":"","quantified m/z":"","PubChem ID":"","KEGG ID":""}]
}

}