#METABOLOMICS WORKBENCH nemkovt_20230425_150410 DATATRACK_ID:3892 STUDY_ID:ST002681 ANALYSIS_ID:AN004353 PROJECT_ID:PR001020 VERSION 1 CREATED_ON May 2, 2023, 10:50 am #PROJECT PR:PROJECT_TITLE Metabolic profile of individuals with and without type 2 diabetes from PR:PROJECT_TITLE sub-Saharan Africa PR:PROJECT_SUMMARY Epidemiological data predicts that Sub-Saharan Africa will have the largest PR:PROJECT_SUMMARY increase in type 2 diabetes (T2D) prevalence over the next two decades. PR:PROJECT_SUMMARY Metabolomics studies have identified biomarkers that could improve T2D diagnosis PR:PROJECT_SUMMARY and follow-up. However, no studies have characterized the metabolome of people PR:PROJECT_SUMMARY from Sub-Saharan Africa. Plasma samples from Senegalese individuals with T2D PR:PROJECT_SUMMARY (n=31) or without T2D (n=34) were compared using measures of oxidative stress PR:PROJECT_SUMMARY damage and plasma antioxidant enzyme activity, and mass-spectrometry-based PR:PROJECT_SUMMARY lipidomics and metabolomics analyses. Results showed that glucose, lactate, and PR:PROJECT_SUMMARY TCA metabolites (fumarate, malate, and succinate) were increased in the T2D PR:PROJECT_SUMMARY group, suggesting alterations in glycolysis and mitochondrial dysfunction. PR:PROJECT_SUMMARY Several amino acids (leucine, isoleucine, valine, and tryptophan) and long-to PR:PROJECT_SUMMARY very-long-chain fatty acids were higher in the T2D group. Finally, elevated PR:PROJECT_SUMMARY levels of ketone bodies and acylcarnitines were observed along with increased PR:PROJECT_SUMMARY levels of oxidative stress damage and anti-oxidant activity. In conclusion, the PR:PROJECT_SUMMARY T2D group exhibited modifications in metabolites previously shown to be PR:PROJECT_SUMMARY associated with T2D risk in populations from other areas of the world. Future PR:PROJECT_SUMMARY studies should seek to test whether these metabolites could be used as PR:PROJECT_SUMMARY predictors for T2D-related complications in people from Sub-Saharan Africa. PR:INSTITUTE University of Colorado Anschutz Medical Campus PR:LAST_NAME Nemkov PR:FIRST_NAME Travis PR:ADDRESS 12801 E 17th Avenue, RC-1 South, Rm 9121, Aurora, CO, 80045, USA PR:EMAIL travis.nemkov@cuanschutz.edu PR:PHONE 303-724-3253 #STUDY ST:STUDY_TITLE Non-T2D vs T2D ST:STUDY_SUMMARY Plasma samples from Senegalese individuals with T2D (n=31) or without T2D (n=34) ST:STUDY_SUMMARY were compared using mass-spectrometry-based metabolomics analyses. ST:INSTITUTE University of Colorado Anschutz Medical Campus ST:LAST_NAME Nemkov ST:FIRST_NAME Travis ST:ADDRESS 12801 E 17th Avenue, RC-1 South, Rm 9403G, Aurora, CO, 80045, USA ST:EMAIL travis.nemkov@cuanschutz.edu ST:PHONE 303-724-3253 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - Control_AKLA- Group:Control RAW_FILE_NAME=Control_AKLA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_AMDI- Group:Control RAW_FILE_NAME=Control_AMDI_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_BABI- Group:Control RAW_FILE_NAME=Control_BABI_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_BACO- Group:Control RAW_FILE_NAME=Control_BACO_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_BADA- Group:Control RAW_FILE_NAME=Control_BADA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_CECA- Group:Control RAW_FILE_NAME=Control_CECA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_COMA- Group:Control RAW_FILE_NAME=Control_COMA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_DIEM- Group:Control RAW_FILE_NAME=Control_DIEM_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_DIMA31- Group:Control RAW_FILE_NAME=Control_DIMA31_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_DOMA- Group:Control RAW_FILE_NAME=Control_DOMA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_EMYA- Group:Control RAW_FILE_NAME=Control_EMYA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_FAAH- Group:Control RAW_FILE_NAME=Control_FAAH_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_FAKA- Group:Control RAW_FILE_NAME=Control_FAKA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_FAND- Group:Control RAW_FILE_NAME=Control_FAND_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_HABA- Group:Control RAW_FILE_NAME=Control_HABA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_HOLE- Group:Control RAW_FILE_NAME=Control_HOLE_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_IBGA- Group:Control RAW_FILE_NAME=Control_IBGA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_KHGU- Group:Control RAW_FILE_NAME=Control_KHGU_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_MAMB- Group:Control RAW_FILE_NAME=Control_MAMB_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_MBKH- Group:Control RAW_FILE_NAME=Control_MBKH_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_MEPA- Group:Control RAW_FILE_NAME=Control_MEPA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_MOKE- Group:Control RAW_FILE_NAME=Control_MOKE_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_NDFA25- Group:Control RAW_FILE_NAME=Control_NDFA25_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_NDGU23- Group:Control RAW_FILE_NAME=Control_NDGU23_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_NGEU- Group:Control RAW_FILE_NAME=Control_NGEU_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_NZFE- Group:Control RAW_FILE_NAME=Control_NZFE_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_PAMA- Group:Control RAW_FILE_NAME=Control_PAMA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_RAFA- Group:Control RAW_FILE_NAME=Control_RAFA_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_SAAD- Group:Control RAW_FILE_NAME=Control_SAAD_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_SAAL- Group:Control RAW_FILE_NAME=Control_SAAL_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_SACA23- Group:Control RAW_FILE_NAME=Control_SACA23_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_SADI- Group:Control RAW_FILE_NAME=Control_SADI_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_SALL- Group:Control RAW_FILE_NAME=Control_SALL_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_SESO- Group:Control RAW_FILE_NAME=Control_SESO_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_BASA- Group:T2D RAW_FILE_NAME=T2D_BASA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_CAFA- Group:T2D RAW_FILE_NAME=T2D_CAFA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_CODI- Group:T2D RAW_FILE_NAME=T2D_CODI_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DAFA60- Group:T2D RAW_FILE_NAME=T2D_DAFA60_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DIDA- Group:T2D RAW_FILE_NAME=T2D_DIDA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DIFA- Group:T2D RAW_FILE_NAME=T2D_DIFA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DIFA37- Group:T2D RAW_FILE_NAME=T2D_DIFA37_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DIKH- Group:T2D RAW_FILE_NAME=T2D_DIKH_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DSMA- Group:T2D RAW_FILE_NAME=T2D_DSMA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_FAAS- Group:T2D RAW_FILE_NAME=T2D_FAAS_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_FAOU- Group:T2D RAW_FILE_NAME=T2D_FAOU_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_GUOU- Group:T2D RAW_FILE_NAME=T2D_GUOU_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_GUSA- Group:T2D RAW_FILE_NAME=T2D_GUSA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_KAAD- Group:T2D RAW_FILE_NAME=T2D_KAAD_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_LEWA- Group:T2D RAW_FILE_NAME=T2D_LEWA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_MADI52- Group:T2D RAW_FILE_NAME=T2D_MADI52_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_MBPA- Group:T2D RAW_FILE_NAME=T2D_MBPA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_MOMB- Group:T2D RAW_FILE_NAME=T2D_MOMB_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NDFA- Group:T2D RAW_FILE_NAME=T2D_NDFA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NDMO- Group:T2D RAW_FILE_NAME=T2D_NDMO_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NDND- Group:T2D RAW_FILE_NAME=T2D_NDND_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NDOU- Group:T2D RAW_FILE_NAME=T2D_NDOU_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NDPA- Group:T2D RAW_FILE_NAME=T2D_NDPA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NIIB- Group:T2D RAW_FILE_NAME=T2D_NIIB_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SADI- Group:T2D RAW_FILE_NAME=T2D_SADI_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SAKH- Group:T2D RAW_FILE_NAME=T2D_SAKH_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SAMO11- Group:T2D RAW_FILE_NAME=T2D_SAMO11_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SASE- Group:T2D RAW_FILE_NAME=T2D_SASE_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SODA- Group:T2D RAW_FILE_NAME=T2D_SODA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SOFA- Group:T2D RAW_FILE_NAME=T2D_SOFA_neg.mzxml SUBJECT_SAMPLE_FACTORS - T2D_THAN- Group:T2D RAW_FILE_NAME=T2D_THAN_neg.mzxml SUBJECT_SAMPLE_FACTORS - Control_AKLA+ Group:Control RAW_FILE_NAME=Control_AKLA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_AMDI+ Group:Control RAW_FILE_NAME=Control_AMDI_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_BABI+ Group:Control RAW_FILE_NAME=Control_BABI_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_BACO+ Group:Control RAW_FILE_NAME=Control_BACO_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_BADA+ Group:Control RAW_FILE_NAME=Control_BADA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_CECA+ Group:Control RAW_FILE_NAME=Control_CECA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_COMA+ Group:Control RAW_FILE_NAME=Control_COMA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_DIEM+ Group:Control RAW_FILE_NAME=Control_DIEM_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_DIMA31+ Group:Control RAW_FILE_NAME=Control_DIMA31_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_DOMA+ Group:Control RAW_FILE_NAME=Control_DOMA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_EMYA+ Group:Control RAW_FILE_NAME=Control_EMYA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_FAAH+ Group:Control RAW_FILE_NAME=Control_FAAH_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_FAKA+ Group:Control RAW_FILE_NAME=Control_FAKA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_FAND+ Group:Control RAW_FILE_NAME=Control_FAND_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_HABA+ Group:Control RAW_FILE_NAME=Control_HABA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_HOLE+ Group:Control RAW_FILE_NAME=Control_HOLE_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_IBGA+ Group:Control RAW_FILE_NAME=Control_IBGA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_KHGU+ Group:Control RAW_FILE_NAME=Control_KHGU_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_MAMB+ Group:Control RAW_FILE_NAME=Control_MAMB_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_MBKH+ Group:Control RAW_FILE_NAME=Control_MBKH_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_MEPA+ Group:Control RAW_FILE_NAME=Control_MEPA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_MOKE+ Group:Control RAW_FILE_NAME=Control_MOKE_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_NDFA25+ Group:Control RAW_FILE_NAME=Control_NDFA25_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_NDGU23+ Group:Control RAW_FILE_NAME=Control_NDGU23_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_NGEU+ Group:Control RAW_FILE_NAME=Control_NGEU_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_NZFE+ Group:Control RAW_FILE_NAME=Control_NZFE_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_PAMA+ Group:Control RAW_FILE_NAME=Control_PAMA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_RAFA+ Group:Control RAW_FILE_NAME=Control_RAFA_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_SAAD+ Group:Control RAW_FILE_NAME=Control_SAAD_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_SAAL+ Group:Control RAW_FILE_NAME=Control_SAAL_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_SACA23+ Group:Control RAW_FILE_NAME=Control_SACA23_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_SADI+ Group:Control RAW_FILE_NAME=Control_SADI_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_SALL+ Group:Control RAW_FILE_NAME=Control_SALL_pos.mzxml SUBJECT_SAMPLE_FACTORS - Control_SESO+ Group:Control RAW_FILE_NAME=Control_SESO_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_BASA+ Group:T2D RAW_FILE_NAME=T2D_BASA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_CAFA+ Group:T2D RAW_FILE_NAME=T2D_CAFA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_CODI+ Group:T2D RAW_FILE_NAME=T2D_CODI_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DAFA60+ Group:T2D RAW_FILE_NAME=T2D_DAFA60_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DIDA+ Group:T2D RAW_FILE_NAME=T2D_DIDA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DIFA+ Group:T2D RAW_FILE_NAME=T2D_DIFA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DIFA37+ Group:T2D RAW_FILE_NAME=T2D_DIFA37_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DIKH+ Group:T2D RAW_FILE_NAME=T2D_DIKH_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_DSMA+ Group:T2D RAW_FILE_NAME=T2D_DSMA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_FAAS+ Group:T2D RAW_FILE_NAME=T2D_FAAS_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_FAOU+ Group:T2D RAW_FILE_NAME=T2D_FAOU_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_GUOU+ Group:T2D RAW_FILE_NAME=T2D_GUOU_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_GUSA+ Group:T2D RAW_FILE_NAME=T2D_GUSA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_KAAD+ Group:T2D RAW_FILE_NAME=T2D_KAAD_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_LEWA+ Group:T2D RAW_FILE_NAME=T2D_LEWA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_MADI52+ Group:T2D RAW_FILE_NAME=T2D_MADI52_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_MBPA+ Group:T2D RAW_FILE_NAME=T2D_MBPA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_MOMB+ Group:T2D RAW_FILE_NAME=T2D_MOMB_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NDFA+ Group:T2D RAW_FILE_NAME=T2D_NDFA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NDMO+ Group:T2D RAW_FILE_NAME=T2D_NDMO_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NDND+ Group:T2D RAW_FILE_NAME=T2D_NDND_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NDOU+ Group:T2D RAW_FILE_NAME=T2D_NDOU_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NDPA+ Group:T2D RAW_FILE_NAME=T2D_NDPA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_NIIB+ Group:T2D RAW_FILE_NAME=T2D_NIIB_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SADI+ Group:T2D RAW_FILE_NAME=T2D_SADI_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SAKH+ Group:T2D RAW_FILE_NAME=T2D_SAKH_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SAMO11+ Group:T2D RAW_FILE_NAME=T2D_SAMO11_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SASE+ Group:T2D RAW_FILE_NAME=T2D_SASE_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SODA+ Group:T2D RAW_FILE_NAME=T2D_SODA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_SOFA+ Group:T2D RAW_FILE_NAME=T2D_SOFA_pos.mzxml SUBJECT_SAMPLE_FACTORS - T2D_THAN+ Group:T2D RAW_FILE_NAME=T2D_THAN_pos.mzxml #COLLECTION CO:COLLECTION_SUMMARY Blood was drawn into fluoride tubes for glucose measurement, heparin tubes for CO:COLLECTION_SUMMARY lipid measurement, and EDTA tubes for HbA1c and metabolomics analyses. Plasma CO:COLLECTION_SUMMARY was isolated and stored at -80C until analysis. CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY NA #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Prior to LC-MS analysis, 10ul of plasma was resuspended in 9 volumes of SP:SAMPLEPREP_SUMMARY pre-chilled (-20°C) methanol:acetonitrile:water (5:3:2, v:v) and vortexed SP:SAMPLEPREP_SUMMARY continuously for 30 min at 4°C. Insoluble material was removed by SP:SAMPLEPREP_SUMMARY centrifugation at 18,000 g for 10 min at 4°C and supernatants were isolated for SP:SAMPLEPREP_SUMMARY metabolomics analysis by UHPLC-MS. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Phenomenex Kinetex C18 (100 x 2.1mm,1.7um) CH:SOLVENT_A 0.1% formic acid in water CH:SOLVENT_B 0.1% formic acid in acetonitrile CH:FLOW_GRADIENT 0-0.5min 5% B; 1.1min 95% B; 2.75min 95%B; 3min 5%B; 5min 5%B CH:FLOW_RATE 0.45 CH:COLUMN_TEMPERATURE 45 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS The Q Exactive mass spectrometer (ThermoFisher) was operated independently in MS:MS_COMMENTS positive or negative ion mode, scanning in Full MS mode (2 microscans) from 60 MS:MS_COMMENTS to 900 m/z at 70,000 resolution, with 4 kV spray voltage, 45 sheath gas, 15 MS:MS_COMMENTS auxiliary gas. Calibration was performed prior to analysis using the PierceTM MS:MS_COMMENTS Positive and Negative Ion Calibration Solutions (ThermoFisher). Acquired data MS:MS_COMMENTS was then converted from raw to mzXML file format using Mass Matrix (Cleveland, MS:MS_COMMENTS OH). Samples were analyzed in randomized order with a technical mixture injected MS:MS_COMMENTS periodically through analysis to qualify instrument performance. Metabolite MS:MS_COMMENTS assignments, isotopologue distributions, and correction for expected natural MS:MS_COMMENTS abundances of deuterium, 13C, and 15N isotopes were performed using MAVEN MS:MS_COMMENTS (Princeton, NJ) #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS AU MS_METABOLITE_DATA_START Samples Control_KHGU+ Control_HABA+ Control_NDFA25+ Control_BACO+ Control_FAKA+ Control_AKLA+ Control_RAFA+ Control_DOMA+ Control_PAMA+ Control_SAAD+ Control_NZFE+ Control_DIEM+ Control_DIMA31+ Control_FAND+ Control_SACA23+ Control_BABI+ Control_MBKH+ Control_MEPA+ Control_HOLE+ Control_SAAL+ Control_NGEU+ Control_SESO+ Control_FAAH+ Control_EMYA+ Control_NDGU23+ Control_IBGA+ Control_SADI+ Control_MAMB+ Control_COMA+ Control_CECA+ Control_AMDI+ Control_MOKE+ Control_BADA+ Control_SALL+ T2D_DSMA+ T2D_MADI52+ T2D_MOMB+ T2D_SADI+ T2D_BASA+ T2D_NDOU+ T2D_GUOU+ T2D_MBPA+ T2D_SODA+ T2D_NDPA+ T2D_NDMO+ T2D_SOFA+ T2D_LEWA+ T2D_FAOU+ T2D_NIIB+ T2D_GUSA+ T2D_KAAD+ T2D_DIFA+ T2D_DIDA+ T2D_SAKH+ T2D_NDFA+ T2D_CAFA+ T2D_DIFA37+ T2D_DAFA60+ T2D_THAN+ T2D_CODI+ T2D_DIKH+ T2D_SAMO11+ T2D_NDND+ T2D_FAAS+ T2D_SASE+ Factors Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D Group:T2D L-alanine 7.28E+06 8.24E+06 8.82E+06 7.32E+06 9.86E+06 9.78E+06 1.03E+07 1.10E+07 1.76E+07 1.40E+07 1.47E+07 1.03E+07 7.43E+06 1.38E+07 1.14E+07 1.23E+07 9.87E+06 5.18E+06 1.64E+07 1.17E+07 8.16E+06 5.65E+06 7.55E+06 7.39E+06 8.71E+06 7.78E+06 9.80E+06 1.57E+07 8.69E+06 1.07E+07 9.10E+06 7.63E+06 7.86E+06 9.12E+06 8.30E+06 1.07E+07 9.56E+06 9.40E+06 1.47E+07 9.53E+06 1.15E+07 9.43E+06 1.53E+07 1.20E+07 1.05E+07 1.03E+07 1.28E+07 1.12E+07 1.01E+07 6.38E+06 9.24E+06 7.57E+06 1.55E+07 1.35E+07 1.46E+07 8.76E+06 8.52E+06 1.19E+07 1.48E+07 9.38E+06 1.40E+07 1.73E+07 1.45E+07 6.23E+06 7.63E+06 L-arginine 2.33E+06 5.33E+06 2.09E+06 2.80E+06 3.35E+06 4.71E+06 3.03E+06 3.73E+06 4.06E+06 4.41E+06 3.48E+06 4.99E+06 3.76E+06 3.15E+06 4.29E+06 4.82E+06 2.38E+06 3.49E+06 2.74E+06 4.38E+06 2.88E+06 2.20E+06 2.12E+06 2.74E+06 4.88E+06 4.31E+06 4.70E+06 3.64E+06 3.28E+06 1.85E+06 2.84E+06 2.65E+06 3.67E+06 5.46E+06 3.14E+06 4.45E+06 5.21E+06 4.40E+06 4.01E+06 3.03E+06 1.57E+06 3.53E+06 2.97E+06 1.47E+06 3.53E+06 3.51E+06 2.58E+06 4.11E+06 4.81E+06 3.44E+06 3.85E+06 3.97E+06 2.06E+06 3.30E+06 2.65E+06 4.08E+06 3.95E+06 3.58E+06 2.19E+06 5.45E+06 3.04E+06 1.48E+06 3.11E+06 1.72E+06 1.80E+06 L-asparagine 1.46E+05 2.65E+05 3.80E+05 2.44E+05 5.67E+05 6.58E+05 6.47E+05 7.05E+05 6.44E+05 2.94E+05 8.05E+05 5.23E+05 6.37E+05 7.23E+05 5.40E+05 3.15E+05 2.52E+05 4.21E+05 6.05E+05 3.50E+05 5.14E+05 2.48E+05 3.49E+05 3.19E+05 2.51E+05 2.70E+05 5.44E+05 7.44E+05 2.61E+05 5.37E+05 7.30E+05 8.48E+05 5.62E+05 5.65E+05 4.92E+05 6.96E+05 2.70E+05 4.76E+05 6.78E+05 2.13E+05 5.44E+05 6.76E+05 3.08E+05 2.09E+05 2.27E+05 5.89E+05 3.67E+05 6.67E+05 5.50E+05 6.69E+05 2.22E+05 4.62E+05 8.16E+05 1.67E+05 4.79E+05 1.52E+05 3.55E+05 3.81E+05 2.82E+05 1.72E+05 2.73E+05 8.05E+05 1.98E+05 1.69E+05 5.29E+05 L-aspartate 2.44E+05 2.59E+05 6.11E+05 2.59E+05 7.84E+05 9.75E+05 6.33E+05 7.52E+05 8.09E+05 2.94E+05 1.07E+06 6.77E+05 9.39E+05 2.56E+05 1.10E+06 1.14E+05 1.12E+05 4.71E+05 1.48E+06 1.84E+05 1.13E+06 9.78E+04 3.07E+05 4.42E+05 6.42E+04 4.79E+05 1.07E+06 8.85E+05 3.14E+05 1.15E+06 1.07E+06 1.09E+06 1.24E+06 1.17E+06 7.38E+05 8.68E+05 4.39E+05 2.78E+05 2.27E+05 4.09E+05 1.08E+06 1.19E+06 9.88E+05 8.80E+04 3.00E+05 9.22E+05 4.98E+05 9.30E+05 6.78E+05 7.44E+05 4.19E+05 3.36E+05 3.38E+05 4.23E+05 2.07E+05 2.98E+05 3.18E+05 5.97E+05 2.83E+05 1.71E+05 4.16E+05 1.07E+06 2.72E+05 9.79E+04 7.06E+05 L-cysteine 1.07E+05 1.08E+05 2.89E+05 1.49E+05 4.12E+05 3.47E+05 1.80E+05 2.66E+05 3.23E+05 7.98E+04 2.34E+05 2.84E+05 1.92E+05 2.77E+05 2.29E+05 1.34E+05 1.35E+05 2.68E+05 3.58E+05 2.98E+05 3.61E+05 1.99E+05 1.38E+05 1.23E+05 9.01E+04 7.38E+04 2.07E+05 1.76E+05 1.73E+05 3.09E+05 3.66E+05 2.13E+05 2.82E+05 2.53E+05 2.84E+05 3.47E+05 1.79E+05 2.20E+05 3.74E+05 1.19E+05 4.58E+04 1.08E+05 2.35E+05 1.01E+05 3.62E+04 2.11E+05 2.36E+05 1.09E+05 1.99E+05 1.96E+05 4.83E+04 1.77E+05 3.65E+05 8.29E+04 1.65E+04 5.46E+04 7.60E+04 4.33E+04 1.21E+04 8.66E+04 7.60E+04 1.89E+05 4.45E+03 1.60E+05 1.11E+05 L-glutamate 1.60E+06 1.14E+06 2.14E+06 8.25E+05 2.83E+06 2.60E+06 1.06E+07 2.85E+06 6.41E+06 2.63E+06 7.07E+06 5.27E+06 3.75E+06 4.85E+06 4.13E+06 1.01E+06 5.87E+05 3.26E+06 1.82E+06 5.56E+06 3.26E+06 1.64E+06 8.62E+05 2.29E+06 1.06E+06 7.76E+05 1.41E+07 7.10E+06 1.73E+06 3.53E+06 6.58E+06 4.56E+06 4.45E+06 4.07E+06 3.63E+06 3.48E+06 9.45E+05 6.22E+06 4.25E+06 1.32E+06 9.57E+06 8.30E+06 7.63E+06 2.06E+06 2.60E+06 7.37E+06 5.29E+06 4.74E+06 7.50E+06 5.88E+06 1.23E+06 4.09E+06 5.66E+06 1.51E+06 3.88E+06 1.43E+06 1.47E+06 4.08E+06 4.95E+06 2.45E+06 2.38E+06 9.48E+06 1.22E+07 7.91E+05 5.69E+06 L-glutamine 3.14E+06 4.35E+06 7.83E+06 4.34E+06 1.47E+07 1.14E+07 8.10E+06 1.23E+07 1.53E+07 4.65E+06 1.48E+07 9.76E+06 1.32E+07 1.19E+07 1.18E+07 5.14E+06 4.46E+06 1.05E+07 1.13E+07 1.06E+07 1.03E+07 5.65E+06 3.64E+06 5.98E+06 4.00E+06 4.70E+06 8.37E+06 1.14E+07 4.10E+06 1.19E+07 1.69E+07 1.66E+07 1.51E+07 1.15E+07 1.07E+07 1.41E+07 5.07E+06 1.09E+07 1.18E+07 5.44E+06 1.06E+07 1.36E+07 6.61E+06 5.71E+06 4.43E+06 1.24E+07 6.47E+06 1.48E+07 1.23E+07 1.40E+07 4.57E+06 9.69E+06 1.30E+07 3.71E+06 8.31E+06 3.44E+06 4.30E+06 9.27E+06 5.03E+06 3.55E+06 6.23E+06 1.37E+07 5.82E+05 3.14E+06 9.48E+06 glycine 1.06E+06 1.25E+06 1.55E+06 1.10E+06 1.67E+06 1.74E+06 1.79E+06 1.56E+06 2.22E+06 1.19E+06 1.47E+06 1.57E+06 1.60E+06 1.66E+06 1.55E+06 9.29E+05 1.21E+06 1.35E+06 1.55E+06 1.00E+06 1.06E+06 1.09E+06 1.01E+06 1.06E+06 8.34E+05 8.04E+05 1.24E+06 1.78E+06 1.07E+06 1.68E+06 1.44E+06 1.62E+06 1.46E+06 1.33E+06 1.60E+06 2.06E+06 1.05E+06 1.66E+06 1.38E+06 1.27E+06 1.29E+06 1.50E+06 1.40E+06 1.12E+06 8.98E+05 1.48E+06 1.05E+06 1.48E+06 1.39E+06 1.39E+06 1.08E+06 1.03E+06 1.70E+06 7.47E+05 1.16E+06 1.03E+06 9.77E+05 1.11E+06 9.93E+05 7.63E+05 9.35E+05 1.36E+06 9.07E+05 6.74E+05 2.27E+06 L-histidine 2.86E+06 2.74E+06 2.74E+06 2.60E+06 2.01E+06 2.39E+06 2.13E+06 2.46E+06 1.82E+06 4.70E+06 2.43E+06 2.10E+06 2.00E+06 2.44E+06 1.60E+06 3.57E+06 4.08E+06 1.70E+06 2.33E+06 2.49E+06 2.30E+06 2.05E+06 3.66E+06 3.60E+06 2.46E+06 3.98E+06 2.43E+06 3.14E+06 3.33E+06 2.23E+06 1.80E+06 2.07E+06 2.21E+06 2.03E+06 1.89E+06 2.42E+06 4.19E+06 2.54E+06 3.36E+06 3.06E+06 2.30E+06 2.98E+06 2.37E+06 4.07E+06 3.34E+06 2.12E+06 3.59E+06 2.28E+06 2.44E+06 1.74E+06 3.35E+06 2.07E+06 2.92E+06 3.89E+06 3.22E+06 3.02E+06 3.85E+06 3.60E+06 2.57E+06 2.49E+06 3.40E+06 1.81E+06 2.37E+06 3.05E+06 1.87E+06 L-leucine 3.63E+07 3.95E+07 4.64E+07 4.35E+07 2.71E+07 4.96E+07 2.56E+07 3.44E+07 3.46E+07 6.02E+07 3.90E+07 2.88E+07 5.93E+07 2.73E+07 2.91E+07 4.31E+07 3.48E+07 2.18E+07 3.66E+07 7.04E+07 3.39E+07 5.65E+07 3.38E+07 4.85E+07 4.08E+07 4.63E+07 3.90E+07 3.84E+07 4.43E+07 2.71E+07 2.33E+07 3.04E+07 4.21E+07 5.33E+07 1.84E+07 4.18E+07 4.48E+07 3.92E+07 3.60E+07 5.73E+07 4.56E+07 5.16E+07 7.64E+07 6.19E+07 4.36E+07 2.80E+07 6.60E+07 5.26E+07 3.49E+07 2.84E+07 4.22E+07 3.61E+07 5.09E+07 6.56E+07 7.23E+07 4.55E+07 4.88E+07 8.70E+07 5.66E+07 4.72E+07 5.07E+07 4.60E+07 9.40E+07 3.26E+07 4.60E+07 L-lysine 3.15E+06 4.04E+06 3.06E+06 5.28E+06 3.82E+06 4.98E+06 2.92E+06 3.11E+06 4.03E+06 8.23E+06 5.00E+06 4.35E+06 2.62E+06 4.96E+06 3.12E+06 7.50E+06 7.17E+06 2.52E+06 6.02E+06 7.55E+06 3.36E+06 4.62E+06 5.45E+06 5.03E+06 5.64E+06 5.59E+06 4.82E+06 5.23E+06 5.45E+06 3.97E+06 5.04E+06 4.19E+06 4.70E+06 3.41E+06 3.94E+06 5.15E+06 8.01E+06 4.24E+06 6.47E+06 1.09E+07 3.96E+06 6.12E+06 5.76E+06 5.88E+06 7.21E+06 4.10E+06 6.49E+06 4.89E+06 4.36E+06 5.24E+06 6.43E+06 3.16E+06 4.07E+06 9.53E+06 7.74E+06 5.24E+06 8.01E+06 9.08E+06 6.03E+06 5.32E+06 9.77E+06 5.85E+06 7.92E+06 5.56E+06 3.95E+06 L-methionine 1.77E+06 2.79E+06 6.10E+06 2.41E+06 3.19E+06 4.61E+06 3.37E+06 4.65E+06 4.27E+06 3.72E+06 6.59E+06 3.81E+06 4.39E+06 4.50E+06 3.57E+06 2.84E+06 3.04E+06 1.64E+06 7.61E+06 8.16E+06 3.54E+06 2.56E+06 2.86E+06 3.32E+06 2.67E+06 2.93E+06 4.80E+06 3.68E+06 2.11E+06 5.32E+06 4.07E+06 4.02E+06 4.83E+06 3.88E+06 2.42E+06 3.44E+06 2.99E+06 3.14E+06 7.66E+06 3.94E+06 3.43E+06 5.46E+06 7.10E+06 2.82E+06 1.89E+06 3.52E+06 4.66E+06 4.66E+06 3.40E+06 3.78E+06 2.54E+06 3.66E+06 3.91E+06 2.47E+06 5.13E+06 1.49E+06 3.09E+06 8.02E+06 3.55E+06 2.16E+06 3.49E+06 6.62E+06 5.05E+06 1.84E+06 3.09E+06 L-phenylalanine 5.22E+06 6.14E+06 2.13E+07 6.82E+06 2.92E+07 6.03E+07 2.43E+07 4.00E+07 4.47E+07 1.38E+07 4.05E+07 3.79E+07 4.01E+07 4.13E+07 3.97E+07 7.26E+06 7.59E+06 2.08E+07 4.40E+07 2.25E+07 4.50E+07 7.72E+06 5.50E+06 8.51E+06 7.70E+06 8.23E+06 6.28E+07 6.51E+07 6.05E+06 3.89E+07 3.26E+07 3.39E+07 5.27E+07 4.17E+07 2.57E+07 4.66E+07 8.52E+06 3.88E+07 4.49E+07 1.12E+07 5.01E+07 5.98E+07 3.20E+07 7.48E+06 5.85E+06 4.26E+07 1.58E+07 4.12E+07 4.52E+07 3.51E+07 6.51E+06 3.00E+07 3.51E+07 6.79E+06 1.81E+07 1.05E+07 1.08E+07 3.23E+07 4.21E+07 7.08E+06 9.01E+06 4.80E+07 1.68E+07 8.86E+06 4.50E+07 L-proline 3.79E+07 4.10E+07 5.87E+07 4.27E+07 4.72E+07 4.57E+07 3.89E+07 4.52E+07 8.17E+07 6.87E+07 8.50E+07 4.27E+07 6.15E+07 6.51E+07 3.95E+07 7.28E+07 6.05E+07 3.46E+07 7.88E+07 5.85E+07 3.01E+07 5.10E+07 3.23E+07 6.57E+07 4.36E+07 5.91E+07 6.31E+07 5.76E+07 3.64E+07 4.03E+07 4.08E+07 5.48E+07 5.51E+07 5.16E+07 4.80E+07 7.27E+07 3.81E+07 4.42E+07 8.80E+07 4.60E+07 6.00E+07 7.10E+07 8.73E+07 5.33E+07 5.88E+07 5.93E+07 1.33E+08 4.84E+07 3.92E+07 5.55E+07 3.63E+07 3.66E+07 7.08E+07 5.12E+07 8.86E+07 4.46E+07 3.79E+07 8.37E+07 8.16E+07 5.92E+07 6.70E+07 8.11E+07 6.89E+07 2.93E+07 3.45E+07 L-serine 4.40E+05 8.84E+05 8.51E+05 6.85E+05 1.43E+06 1.46E+06 1.34E+06 1.70E+06 1.83E+06 6.82E+05 1.43E+06 1.23E+06 1.46E+06 1.32E+06 1.38E+06 7.17E+05 8.15E+05 1.23E+06 1.63E+06 7.35E+05 1.14E+06 7.62E+05 9.00E+05 8.25E+05 6.32E+05 5.71E+05 1.79E+06 1.69E+06 6.27E+05 1.55E+06 1.60E+06 1.87E+06 1.45E+06 1.51E+06 1.01E+06 1.39E+06 5.89E+05 1.70E+06 1.28E+06 7.72E+05 1.12E+06 1.29E+06 6.92E+05 8.11E+05 4.03E+05 1.44E+06 9.03E+05 1.31E+06 1.23E+06 1.49E+06 5.92E+05 8.84E+05 1.56E+06 6.65E+05 8.41E+05 5.69E+05 7.22E+05 9.65E+05 7.48E+05 5.81E+05 9.62E+05 1.82E+06 1.07E+06 7.35E+05 1.60E+06 L-threonine 1.54E+06 2.61E+06 3.31E+06 2.27E+06 4.53E+06 5.20E+06 4.13E+06 4.86E+06 5.53E+06 2.88E+06 5.75E+06 6.12E+06 4.52E+06 7.52E+06 4.81E+06 4.13E+06 2.58E+06 3.18E+06 3.97E+06 4.48E+06 2.47E+06 1.22E+06 1.95E+06 2.86E+06 2.15E+06 2.68E+06 7.66E+06 4.69E+06 2.01E+06 3.80E+06 5.47E+06 6.55E+06 5.41E+06 5.61E+06 3.37E+06 5.51E+06 2.43E+06 5.13E+06 6.99E+06 2.82E+06 3.39E+06 5.47E+06 3.06E+06 2.55E+06 2.22E+06 4.29E+06 3.36E+06 4.45E+06 4.67E+06 7.38E+06 2.33E+06 3.57E+06 4.34E+06 2.19E+06 3.30E+06 1.42E+06 3.71E+06 4.09E+06 2.49E+06 2.68E+06 2.59E+06 4.99E+06 2.62E+06 1.74E+06 4.17E+06 L-tryptophan 4.30E+07 2.30E+07 5.81E+07 4.47E+07 2.42E+07 2.93E+07 1.21E+07 3.25E+07 2.85E+07 6.53E+07 3.43E+07 1.90E+07 2.74E+07 2.58E+07 2.09E+07 5.54E+07 6.71E+07 8.63E+06 4.58E+07 6.85E+07 2.22E+07 3.27E+07 5.82E+07 5.91E+07 5.91E+07 6.74E+07 3.00E+07 2.11E+07 5.84E+07 2.93E+07 2.45E+07 2.03E+07 2.53E+07 3.09E+07 1.39E+07 1.84E+07 6.23E+07 2.51E+07 4.72E+07 1.04E+08 4.57E+07 5.52E+07 6.71E+07 7.72E+07 3.19E+07 1.85E+07 5.31E+07 2.28E+07 1.64E+07 1.53E+07 5.54E+07 2.81E+07 3.70E+07 6.14E+07 2.23E+07 8.69E+07 9.11E+07 1.03E+08 8.38E+07 3.72E+07 8.18E+07 2.39E+07 5.86E+07 9.62E+07 2.44E+07 L-tyrosine 3.50E+06 2.93E+06 7.91E+06 2.26E+06 5.92E+06 6.66E+06 4.77E+06 8.04E+06 9.40E+06 4.42E+06 9.56E+06 5.95E+06 6.06E+06 8.59E+06 5.60E+06 3.38E+06 3.89E+06 3.28E+06 1.20E+07 1.63E+07 5.08E+06 4.46E+06 2.27E+06 5.62E+06 3.81E+06 2.44E+06 8.93E+06 9.16E+06 2.15E+06 1.02E+07 9.98E+06 5.97E+06 9.23E+06 4.39E+06 5.20E+06 5.84E+06 2.74E+06 4.13E+06 1.67E+07 4.62E+06 8.88E+06 1.03E+07 1.92E+07 3.54E+06 1.72E+06 8.10E+06 1.10E+07 9.83E+06 4.85E+06 4.92E+06 3.87E+06 4.14E+06 9.95E+06 2.64E+06 7.47E+06 3.79E+06 3.42E+06 1.56E+07 1.16E+07 3.36E+06 6.44E+06 1.17E+07 9.41E+06 3.07E+06 5.38E+06 L-valine 5.70E+07 6.28E+07 9.21E+07 6.34E+07 4.73E+07 6.54E+07 4.33E+07 4.17E+07 7.42E+07 8.27E+07 6.89E+07 5.34E+07 5.14E+07 4.73E+07 5.08E+07 7.33E+07 6.91E+07 3.73E+07 8.88E+07 1.07E+08 4.76E+07 7.46E+07 5.53E+07 1.03E+08 7.21E+07 6.03E+07 8.58E+07 9.15E+07 6.43E+07 7.96E+07 4.69E+07 4.82E+07 7.80E+07 4.88E+07 4.53E+07 9.07E+07 6.44E+07 6.31E+07 8.84E+07 8.26E+07 8.47E+07 8.49E+07 1.34E+08 9.16E+07 6.49E+07 5.08E+07 1.25E+08 5.73E+07 5.32E+07 5.96E+07 6.33E+07 5.04E+07 8.32E+07 7.87E+07 9.91E+07 6.15E+07 6.76E+07 1.52E+08 1.19E+08 8.16E+07 9.27E+07 8.15E+07 1.63E+08 5.17E+07 6.99E+07 L-cystine 5.40E+04 6.59E+04 8.17E+04 4.96E+04 1.15E+05 2.10E+05 1.32E+05 6.89E+04 1.29E+05 6.33E+04 9.55E+04 1.33E+05 8.19E+04 1.97E+05 1.28E+05 1.57E+05 5.02E+04 1.78E+05 1.90E+05 9.73E+04 2.53E+05 1.09E+05 3.83E+04 1.48E+05 9.64E+04 5.52E+04 1.33E+05 9.96E+04 5.91E+04 1.18E+05 2.72E+05 8.55E+04 1.32E+05 1.97E+05 4.20E+05 3.98E+05 1.70E+05 2.18E+05 1.14E+05 7.84E+04 1.48E+05 3.32E+05 1.13E+05 3.58E+04 2.13E+05 1.46E+05 9.19E+04 1.11E+05 6.97E+05 1.57E+05 5.96E+04 7.84E+04 1.27E+05 1.82E+05 3.34E+04 6.28E+04 5.86E+04 1.39E+05 5.18E+04 2.13E+05 8.77E+04 1.75E+05 1.47E+05 4.42E+04 1.15E+05 Adenosine 1.43E+04 5.15E+03 1.17E+04 5.51E+03 7.50E+02 1.58E+03 1.54E+03 2.40E+03 2.05E+03 4.78E+03 2.74E+03 1.88E+03 0.00E+00 2.22E+03 1.58E+03 1.26E+05 4.97E+03 3.10E+03 1.71E+03 4.22E+03 2.43E+03 7.74E+03 1.27E+04 8.12E+03 2.51E+03 4.77E+03 1.65E+03 2.47E+03 4.51E+03 9.27E+02 2.53E+03 1.94E+03 2.58E+03 3.63E+03 1.78E+03 2.96E+03 0.00E+00 3.91E+03 2.13E+03 1.00E+04 1.92E+03 2.89E+03 8.50E+03 1.23E+04 6.49E+03 1.71E+03 8.18E+03 5.32E+03 2.48E+03 1.62E+03 7.08E+03 4.55E+03 2.69E+03 1.24E+04 0.00E+00 9.31E+03 5.97E+03 2.47E+03 5.59E+03 7.14E+03 5.81E+03 2.56E+03 1.16E+04 6.28E+03 1.64E+03 Adenine 2.12E+05 7.45E+04 5.67E+04 5.13E+04 6.96E+04 8.05E+04 7.36E+04 8.77E+04 9.89E+04 2.50E+04 7.98E+04 8.38E+04 9.79E+04 8.51E+04 6.79E+04 3.16E+05 2.33E+04 9.81E+04 8.88E+04 6.28E+04 7.31E+04 2.01E+04 1.48E+04 9.94E+03 2.41E+04 2.22E+04 1.66E+05 1.73E+05 1.93E+04 1.38E+05 1.34E+05 1.21E+05 1.49E+05 1.29E+05 8.02E+04 7.61E+04 3.58E+04 9.68E+04 7.15E+04 3.94E+04 1.65E+05 1.50E+05 1.30E+05 4.72E+04 2.58E+04 9.96E+04 7.44E+04 1.11E+05 1.02E+05 1.08E+05 2.42E+04 8.67E+04 1.11E+05 4.29E+04 0.00E+00 3.55E+04 0.00E+00 6.05E+04 5.62E+04 2.99E+04 2.51E+04 1.78E+05 8.36E+04 2.47E+04 1.18E+05 Hypoxanthine 3.15E+06 1.32E+05 2.27E+06 3.14E+05 1.58E+05 1.78E+06 2.36E+05 6.61E+05 1.99E+06 2.48E+06 6.07E+05 4.37E+05 1.33E+06 8.74E+05 8.40E+05 1.95E+06 1.45E+06 1.67E+06 1.19E+06 1.83E+06 7.16E+05 1.64E+06 7.13E+05 1.17E+06 1.17E+06 3.70E+05 3.57E+05 1.63E+05 8.49E+05 1.40E+06 7.03E+05 1.66E+05 1.37E+06 1.29E+06 2.12E+05 3.83E+05 4.85E+05 6.81E+05 2.86E+06 1.07E+07 3.95E+07 1.59E+07 2.69E+07 2.36E+07 3.23E+06 5.63E+05 1.90E+06 4.29E+05 3.31E+05 9.54E+05 1.01E+06 9.61E+05 2.11E+06 9.41E+05 1.26E+06 3.47E+05 1.18E+06 1.94E+06 3.29E+06 7.11E+05 1.85E+06 1.78E+05 2.13E+06 8.19E+04 1.00E+06 Xanthine 5.91E+04 8.87E+04 1.39E+05 6.47E+04 1.02E+05 1.90E+05 3.76E+04 1.33E+05 8.96E+04 1.15E+05 1.68E+05 2.11E+05 1.31E+05 1.71E+05 1.16E+05 1.13E+05 1.33E+05 1.42E+05 5.09E+05 1.61E+05 1.89E+05 1.73E+05 1.79E+05 2.56E+05 2.60E+05 2.31E+05 3.13E+05 7.61E+04 2.46E+05 1.75E+05 2.02E+05 1.66E+05 8.74E+04 1.90E+05 1.25E+05 1.39E+05 2.95E+05 8.53E+04 3.06E+05 2.81E+05 2.07E+05 1.52E+05 1.56E+05 3.32E+05 1.72E+05 1.54E+05 4.07E+05 2.29E+05 7.16E+04 1.31E+05 1.54E+05 1.33E+05 1.23E+05 1.20E+05 3.59E+05 4.81E+05 8.59E+04 3.46E+05 3.90E+05 1.27E+05 1.55E+05 1.26E+05 4.42E+05 2.72E+05 2.24E+05 Allantoate 6.10E+05 8.79E+05 6.92E+05 1.69E+06 5.83E+05 6.64E+05 5.35E+05 4.40E+05 6.26E+05 1.57E+06 7.45E+05 5.37E+05 5.40E+05 7.17E+05 5.62E+05 9.21E+05 1.37E+06 3.03E+05 1.26E+06 7.99E+05 2.83E+05 7.28E+05 7.69E+05 1.09E+06 8.42E+05 1.67E+06 7.14E+05 6.72E+05 1.37E+06 3.41E+05 5.52E+05 4.79E+05 6.98E+05 3.52E+05 7.26E+05 4.67E+05 1.82E+06 6.30E+05 7.75E+05 2.04E+06 7.38E+05 1.13E+06 4.92E+05 1.36E+06 1.31E+06 7.61E+05 5.01E+05 6.42E+05 5.77E+05 6.83E+05 9.48E+05 4.09E+05 9.11E+05 7.21E+05 6.65E+05 8.70E+05 1.64E+06 7.55E+05 5.93E+05 1.66E+06 1.47E+06 7.72E+05 6.14E+05 1.20E+06 3.89E+05 5-Hydroxyisourate 1.18E+05 2.86E+05 1.74E+05 2.33E+05 2.56E+05 1.76E+05 8.39E+04 1.96E+05 1.78E+05 1.61E+05 7.09E+04 1.14E+05 2.24E+05 1.43E+05 2.02E+05 1.55E+05 1.98E+05 7.13E+04 1.92E+05 7.42E+04 1.97E+05 1.10E+05 0.00E+00 9.97E+04 6.84E+04 9.14E+04 9.69E+04 1.17E+05 5.97E+04 1.53E+05 1.71E+05 2.35E+05 1.30E+05 1.04E+05 1.46E+05 1.51E+05 1.99E+05 1.93E+05 3.45E+05 1.65E+05 2.66E+05 2.73E+05 1.56E+05 1.11E+05 9.72E+04 1.60E+05 7.59E+04 2.21E+05 1.25E+05 1.82E+05 6.72E+04 9.42E+04 9.77E+04 1.69E+05 1.31E+05 8.07E+04 1.25E+05 1.79E+05 1.09E+05 5.71E+04 0.00E+00 1.01E+05 3.93E+04 1.26E+05 9.49E+04 Nicotimide 2.24E+06 5.47E+05 4.75E+05 4.30E+05 6.63E+05 4.65E+05 3.35E+05 3.49E+05 5.36E+05 5.95E+05 3.10E+05 0.00E+00 2.52E+05 3.94E+05 2.64E+05 5.71E+05 3.76E+05 2.71E+05 2.46E+05 2.73E+05 2.40E+05 4.73E+05 3.90E+05 7.31E+05 4.10E+05 5.53E+05 2.81E+05 3.16E+05 3.79E+05 2.67E+05 2.60E+05 2.48E+05 2.38E+05 2.84E+05 4.21E+05 3.79E+05 7.14E+05 3.93E+05 4.36E+05 1.92E+06 7.12E+05 7.36E+05 1.35E+06 1.72E+06 6.91E+05 2.28E+05 1.89E+06 3.16E+05 2.82E+05 2.57E+05 6.27E+05 3.88E+05 2.41E+05 1.59E+06 3.78E+05 7.55E+05 1.04E+06 5.16E+05 7.39E+05 1.32E+06 8.65E+05 2.41E+05 5.98E+05 6.41E+05 0.00E+00 Phosphate 1.05E+07 1.44E+07 1.96E+07 1.79E+07 9.27E+06 1.53E+07 6.83E+06 9.98E+06 1.49E+07 2.95E+07 2.32E+07 2.00E+07 2.04E+07 2.62E+07 2.21E+07 3.15E+07 2.64E+07 1.26E+07 4.30E+07 3.86E+07 2.42E+07 4.99E+07 2.66E+07 5.05E+07 3.76E+07 4.40E+07 3.84E+07 4.02E+07 4.03E+07 3.44E+07 2.15E+07 1.66E+07 1.79E+07 2.53E+07 1.02E+07 1.52E+07 1.86E+07 1.17E+07 1.64E+07 3.53E+07 1.59E+07 2.91E+07 2.94E+07 3.40E+07 3.90E+07 1.62E+07 4.51E+07 1.59E+07 1.67E+07 1.50E+07 3.09E+07 1.83E+07 2.99E+07 3.98E+07 4.30E+07 4.51E+07 3.61E+07 4.87E+07 3.50E+07 3.83E+07 4.61E+07 3.69E+07 4.57E+07 3.76E+07 2.38E+07 5-Oxoproline 2.59E+06 3.40E+06 6.23E+06 3.90E+06 1.11E+07 8.18E+06 8.43E+06 9.13E+06 1.22E+07 4.02E+06 1.20E+07 7.56E+06 1.10E+07 9.50E+06 9.22E+06 3.98E+06 3.19E+06 8.54E+06 9.79E+06 8.74E+06 8.83E+06 4.55E+06 2.81E+06 5.40E+06 3.05E+06 3.58E+06 8.97E+06 8.57E+06 3.44E+06 9.03E+06 1.35E+07 1.24E+07 1.23E+07 9.00E+06 9.30E+06 1.07E+07 4.24E+06 8.97E+06 8.95E+06 4.51E+06 1.01E+07 1.11E+07 6.78E+06 4.75E+06 4.21E+06 9.87E+06 6.11E+06 1.14E+07 1.01E+07 1.15E+07 3.63E+06 7.52E+06 1.12E+07 2.86E+06 7.84E+06 2.46E+06 3.22E+06 8.55E+06 6.19E+06 3.26E+06 5.26E+06 1.26E+07 3.46E+06 2.58E+06 7.77E+06 L-Homocysteine 7.15E+03 6.34E+04 2.73E+05 3.97E+04 1.44E+05 1.41E+05 9.26E+04 8.27E+04 2.11E+05 5.84E+04 1.94E+05 1.00E+05 1.64E+05 1.40E+05 1.76E+05 4.65E+04 1.03E+04 8.37E+04 2.93E+05 3.04E+05 3.37E+05 8.20E+04 4.47E+04 5.31E+04 4.94E+04 3.24E+04 3.08E+05 1.33E+05 4.56E+04 1.33E+05 1.61E+05 1.50E+05 1.93E+05 1.73E+05 1.39E+05 1.29E+05 2.53E+04 1.69E+05 1.56E+05 4.23E+04 1.20E+05 2.94E+05 1.54E+05 3.33E+04 3.03E+04 3.02E+05 1.18E+05 2.19E+05 1.42E+05 1.63E+05 1.05E+05 8.28E+04 1.54E+05 8.27E+03 0.00E+00 2.11E+04 2.46E+04 1.68E+05 1.26E+05 5.56E+04 8.94E+04 1.65E+05 1.78E+04 6.80E+04 1.24E+05 Dimethylglycine 8.90E+05 1.95E+06 1.76E+06 1.10E+06 1.90E+06 2.71E+06 1.14E+06 1.17E+06 1.29E+06 1.36E+06 2.06E+06 1.64E+06 1.88E+06 2.00E+06 1.38E+06 1.62E+06 2.00E+06 1.77E+06 3.02E+06 1.88E+06 1.26E+06 2.00E+06 1.02E+06 2.65E+06 2.41E+06 3.62E+06 3.19E+06 2.30E+06 1.77E+06 2.14E+06 2.47E+06 1.88E+06 3.50E+06 2.16E+06 1.46E+06 3.06E+06 2.00E+06 1.78E+06 3.33E+06 2.00E+06 1.63E+06 1.70E+06 2.58E+06 2.64E+06 2.48E+06 2.69E+06 2.71E+06 2.27E+06 1.62E+06 3.20E+06 1.21E+06 1.81E+06 2.08E+06 4.74E+06 2.62E+06 9.21E+05 1.52E+06 3.96E+06 1.99E+06 2.24E+06 2.41E+06 2.92E+06 5.27E+06 1.55E+06 2.63E+06 Ornithine 1.22E+06 1.45E+06 1.68E+06 3.06E+06 1.28E+06 1.72E+06 1.12E+06 8.23E+05 1.65E+06 3.35E+06 1.65E+06 1.38E+06 1.31E+06 2.03E+06 1.61E+06 2.25E+06 3.27E+06 8.09E+05 3.52E+06 2.39E+06 8.82E+05 1.80E+06 1.53E+06 2.52E+06 2.04E+06 3.57E+06 2.16E+06 1.75E+06 2.77E+06 1.00E+06 1.42E+06 1.42E+06 1.60E+06 9.62E+05 1.47E+06 1.35E+06 3.70E+06 1.59E+06 2.75E+06 4.95E+06 1.86E+06 3.66E+06 1.79E+06 2.81E+06 3.09E+06 1.84E+06 1.58E+06 1.91E+06 1.39E+06 1.80E+06 2.12E+06 1.03E+06 2.55E+06 2.06E+06 2.49E+06 1.85E+06 3.58E+06 3.00E+06 2.20E+06 3.22E+06 3.61E+06 2.35E+06 2.04E+06 2.66E+06 1.07E+06 L-Citrulline 2.50E+05 4.20E+05 8.75E+05 4.19E+05 1.06E+06 1.21E+06 1.15E+06 8.14E+05 9.81E+05 4.56E+05 1.27E+06 9.13E+05 1.62E+06 1.50E+06 1.79E+06 4.05E+05 3.86E+05 9.56E+05 9.45E+05 1.15E+06 6.95E+05 4.44E+05 2.87E+05 5.08E+05 3.30E+05 6.06E+05 1.77E+06 8.94E+05 3.77E+05 1.03E+06 1.07E+06 9.30E+05 1.49E+06 7.33E+05 8.76E+05 1.21E+06 6.41E+05 1.28E+06 1.44E+06 3.69E+05 9.24E+05 2.82E+06 6.78E+05 4.14E+05 8.04E+05 1.55E+06 4.58E+05 1.29E+06 2.30E+06 1.93E+06 3.75E+05 7.10E+05 5.59E+05 3.70E+05 4.55E+05 3.90E+05 4.07E+05 7.81E+05 5.15E+05 5.76E+05 2.66E+05 7.08E+05 7.26E+05 1.74E+05 7.24E+05 Spermidine 7.15E+05 4.21E+05 5.75E+05 8.25E+05 1.05E+05 1.23E+05 3.44E+04 5.57E+04 7.94E+04 4.56E+05 4.31E+04 1.69E+04 3.51E+04 1.99E+04 2.06E+04 3.12E+05 3.80E+05 6.52E+03 5.85E+04 1.27E+05 9.52E+03 2.90E+05 1.93E+05 2.24E+05 1.30E+05 1.75E+05 1.25E+04 1.10E+04 1.43E+05 1.71E+04 7.42E+03 9.16E+03 1.26E+04 0.00E+00 2.19E+04 6.12E+04 7.93E+05 9.79E+04 4.66E+04 1.02E+06 5.03E+04 1.21E+05 2.54E+05 3.06E+05 2.85E+05 2.12E+04 2.39E+05 3.83E+04 3.19E+04 2.78E+04 2.76E+05 4.15E+04 2.15E+04 2.79E+05 2.81E+05 2.11E+05 2.00E+05 1.73E+05 2.34E+05 1.34E+05 1.87E+05 3.02E+04 1.38E+05 2.03E+05 6.45E+03 Spermine 1.67E+05 8.39E+04 9.52E+04 2.57E+05 4.96E+03 4.11E+03 3.96E+03 1.00E+04 1.09E+04 3.52E+05 1.45E+04 0.00E+00 8.77E+03 3.05E+03 0.00E+00 1.49E+05 2.18E+05 0.00E+00 1.51E+04 4.56E+04 0.00E+00 1.26E+05 1.53E+05 1.90E+05 1.14E+05 1.46E+05 0.00E+00 3.80E+03 1.14E+05 0.00E+00 0.00E+00 0.00E+00 2.99E+03 0.00E+00 6.86E+03 5.40E+03 2.60E+05 3.66E+03 8.09E+03 5.12E+05 8.31E+03 6.76E+03 5.24E+04 2.18E+05 2.16E+05 0.00E+00 7.74E+04 0.00E+00 0.00E+00 0.00E+00 1.83E+05 0.00E+00 0.00E+00 1.81E+05 1.65E+05 1.97E+05 1.85E+05 1.38E+05 1.26E+05 8.85E+04 1.54E+05 0.00E+00 4.18E+04 1.71E+05 0.00E+00 D-Glucosamine 2.18E+04 2.03E+04 2.62E+04 1.62E+04 1.34E+05 1.45E+05 1.76E+05 1.16E+05 9.62E+04 5.43E+03 7.46E+04 3.30E+04 6.58E+04 8.02E+04 5.79E+04 2.83E+03 2.95E+03 6.34E+04 2.39E+04 4.20E+03 2.92E+04 9.05E+02 0.00E+00 0.00E+00 9.22E+02 2.22E+03 3.82E+04 2.84E+04 0.00E+00 1.83E+04 5.22E+04 1.43E+04 4.05E+04 2.92E+04 1.24E+05 9.17E+04 1.38E+04 1.65E+05 6.87E+04 4.25E+03 7.43E+04 1.47E+05 6.00E+04 2.51E+03 9.08E+03 1.76E+05 3.07E+03 8.53E+04 4.15E+04 7.92E+04 1.29E+03 4.50E+04 4.10E+04 9.23E+03 0.00E+00 0.00E+00 2.96E+03 1.57E+03 1.92E+04 3.20E+03 2.15E+03 4.24E+04 5.63E+03 0.00E+00 2.47E+04 Asymmetric dimethyl arginine 7.25E+05 5.12E+05 8.83E+05 7.87E+05 5.87E+05 6.87E+05 4.91E+05 5.71E+05 6.60E+05 1.23E+06 6.88E+05 4.71E+05 6.60E+05 5.92E+05 4.64E+05 6.47E+05 5.52E+05 3.83E+05 8.64E+05 8.52E+05 4.79E+05 1.13E+06 7.10E+05 1.08E+06 8.07E+05 8.74E+05 7.04E+05 5.66E+05 7.00E+05 6.61E+05 5.42E+05 3.91E+05 6.57E+05 5.58E+05 4.85E+05 7.00E+05 1.13E+06 5.43E+05 7.48E+05 1.03E+06 4.64E+05 1.02E+06 8.25E+05 6.42E+05 1.38E+06 5.78E+05 8.74E+05 5.22E+05 9.06E+05 6.05E+05 7.86E+05 3.99E+05 6.12E+05 1.03E+06 9.62E+05 1.01E+06 1.22E+06 1.21E+06 5.54E+05 1.20E+06 8.27E+05 6.22E+05 7.98E+05 8.13E+05 4.31E+05 Carnosine 0.00E+00 0.00E+00 0.00E+00 1.96E+04 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 6.93E+04 0.00E+00 0.00E+00 3.25E+04 7.68E+03 0.00E+00 2.10E+04 1.88E+04 9.92E+04 6.85E+04 0.00E+00 0.00E+00 6.86E+03 1.05E+04 3.52E+04 3.38E+04 2.57E+04 0.00E+00 0.00E+00 2.43E+04 0.00E+00 0.00E+00 0.00E+00 0.00E+00 2.18E+04 2.49E+04 0.00E+00 2.69E+04 4.18E+04 0.00E+00 6.12E+04 6.06E+03 9.84E+03 0.00E+00 1.77E+04 1.45E+05 2.38E+04 4.55E+04 0.00E+00 0.00E+00 7.51E+03 1.75E+04 3.17E+04 0.00E+00 7.46E+04 2.91E+04 1.24E+04 3.28E+04 1.46E+04 0.00E+00 1.90E+04 8.57E+04 0.00E+00 1.75E+05 1.05E+04 0.00E+00 5-Guanidino-2-oxopentanoate 4.26E+03 2.19E+03 1.29E+04 1.68E+04 4.20E+03 1.74E+04 2.08E+04 5.01E+03 4.69E+03 7.71E+03 4.66E+03 2.72E+04 1.34E+04 1.54E+04 5.55E+03 1.45E+04 0.00E+00 4.43E+03 1.16E+04 2.61E+04 1.16E+04 0.00E+00 8.53E+03 1.94E+04 2.33E+03 0.00E+00 8.51E+03 4.99E+04 1.59E+03 3.90E+03 3.92E+03 0.00E+00 7.12E+03 1.15E+04 0.00E+00 8.53E+03 2.57E+04 9.56E+03 3.27E+04 5.45E+03 1.29E+04 3.93E+04 1.71E+04 3.31E+03 2.01E+04 6.33E+03 2.37E+04 2.35E+04 5.60E+04 4.24E+04 1.44E+04 4.24E+04 2.12E+04 1.08E+04 1.14E+05 6.12E+03 2.89E+03 3.65E+04 3.30E+04 1.74E+04 4.02E+03 1.85E+04 0.00E+00 1.70E+03 0.00E+00 Phosphocreatine 6.40E+04 9.05E+04 9.22E+04 7.18E+04 1.02E+05 7.36E+04 4.95E+04 7.39E+04 5.77E+04 5.10E+04 7.55E+04 1.09E+05 1.11E+05 8.73E+04 4.37E+04 7.83E+04 8.72E+04 2.23E+04 9.97E+04 1.99E+05 6.68E+04 9.67E+04 6.63E+04 7.12E+04 9.88E+04 1.17E+05 8.22E+04 8.34E+04 4.54E+04 1.09E+05 4.31E+04 6.15E+04 4.37E+04 6.87E+04 6.72E+04 7.89E+04 7.92E+04 5.27E+04 9.46E+04 9.63E+04 8.97E+04 1.33E+05 1.01E+05 1.04E+05 7.82E+04 6.25E+04 1.47E+05 9.93E+04 7.48E+04 6.27E+04 6.47E+04 7.21E+04 5.84E+04 8.40E+04 1.13E+05 6.27E+04 7.65E+04 1.12E+05 9.46E+04 8.38E+04 1.07E+05 1.50E+05 4.12E+04 4.91E+04 8.20E+04 Creatine 2.28E+07 2.87E+07 1.14E+07 7.42E+06 1.59E+07 4.28E+07 9.27E+06 1.59E+07 3.46E+07 1.25E+07 9.19E+06 4.02E+07 9.32E+06 3.00E+07 2.26E+07 2.86E+07 2.12E+07 1.35E+07 2.70E+07 1.42E+07 1.49E+07 3.23E+07 9.04E+06 1.95E+07 7.69E+06 1.51E+07 1.80E+07 4.93E+07 3.45E+07 1.17E+07 3.18E+07 8.68E+06 3.48E+07 2.10E+07 1.26E+07 6.66E+07 2.70E+07 1.91E+07 1.50E+07 3.96E+07 2.16E+07 2.26E+07 3.29E+07 1.80E+07 1.52E+07 1.13E+07 4.18E+07 3.13E+07 9.20E+06 1.63E+07 4.23E+07 2.58E+07 2.69E+07 4.01E+07 3.87E+07 2.72E+07 3.84E+07 5.84E+07 2.16E+07 1.64E+07 3.13E+07 1.22E+07 5.27E+07 1.88E+07 3.76E+07 Creatinine 3.15E+07 1.93E+07 5.08E+07 4.34E+07 2.70E+07 3.84E+07 3.23E+07 2.76E+07 3.01E+07 5.93E+07 3.87E+07 2.71E+07 3.99E+07 3.12E+07 1.59E+07 3.70E+07 4.23E+07 2.32E+07 4.72E+07 8.78E+07 2.05E+07 4.95E+07 2.68E+07 3.42E+07 3.13E+07 5.38E+07 4.04E+07 3.49E+07 2.82E+07 4.30E+07 2.56E+07 2.63E+07 3.10E+07 2.53E+07 2.13E+07 3.95E+07 6.46E+07 2.59E+07 4.65E+07 3.12E+07 2.76E+07 8.11E+07 6.31E+07 4.91E+07 1.67E+08 2.61E+07 4.73E+07 2.81E+07 7.47E+07 5.96E+07 2.19E+07 2.42E+07 2.95E+07 5.33E+07 4.47E+07 3.95E+07 3.59E+07 6.37E+07 4.09E+07 5.18E+07 3.69E+07 2.81E+07 4.41E+07 2.68E+07 2.92E+07 4-Acetamidobutanoate 5.10E+05 8.20E+04 6.46E+05 1.02E+05 8.45E+04 7.89E+04 1.46E+05 7.25E+04 9.93E+04 1.94E+05 8.28E+04 2.42E+05 9.85E+04 1.88E+05 1.39E+05 1.07E+05 8.49E+04 6.67E+04 4.31E+06 1.58E+05 9.22E+04 1.22E+05 1.17E+05 2.02E+05 6.76E+04 1.23E+05 3.44E+05 9.66E+05 1.78E+05 8.54E+04 8.64E+04 7.95E+04 2.93E+05 1.50E+05 7.01E+04 2.50E+05 2.80E+05 5.09E+04 2.82E+05 2.11E+05 1.17E+05 3.70E+06 1.34E+05 1.67E+05 4.14E+05 1.00E+06 2.73E+05 3.35E+05 3.11E+06 2.01E+05 1.22E+05 2.27E+05 1.37E+06 4.92E+05 1.41E+05 6.09E+04 4.80E+04 3.93E+05 2.00E+05 5.99E+05 2.04E+05 3.60E+05 1.36E+05 7.79E+04 2.46E+05 N-Acetyl-L-ornithine 9.70E+04 1.99E+04 2.39E+05 1.41E+05 1.11E+05 2.56E+05 1.61E+05 1.12E+05 1.43E+05 1.17E+05 2.39E+05 2.14E+05 2.48E+05 1.24E+05 1.10E+05 3.29E+03 3.27E+04 7.44E+04 4.61E+05 1.73E+05 4.77E+05 1.69E+05 5.40E+04 2.64E+05 1.87E+04 8.71E+04 6.02E+05 2.49E+05 1.11E+05 3.62E+05 3.55E+05 2.37E+05 2.02E+05 1.84E+05 8.79E+04 1.54E+05 1.42E+05 1.12E+05 1.50E+05 1.57E+05 1.59E+05 1.02E+06 2.17E+05 1.01E+05 2.26E+05 3.12E+05 2.91E+05 2.91E+05 8.72E+05 2.06E+05 7.64E+04 1.33E+05 2.66E+05 1.80E+05 0.00E+00 5.95E+04 1.20E+05 2.47E+05 2.17E+05 7.34E+04 1.31E+05 1.01E+06 1.69E+05 3.04E+04 1.88E+05 trans-4-Hydroxy-L-proline 2.58E+05 6.20E+05 5.55E+05 2.84E+05 7.15E+05 7.19E+05 5.37E+05 5.41E+05 5.86E+05 4.52E+05 5.89E+05 2.01E+06 6.06E+05 4.95E+05 2.38E+06 5.09E+05 1.43E+06 3.14E+05 8.39E+05 1.13E+06 6.14E+05 5.32E+05 4.06E+05 7.13E+05 4.52E+05 7.97E+05 1.02E+06 7.85E+05 3.49E+05 9.82E+05 8.47E+05 1.11E+06 7.23E+05 6.38E+05 4.70E+05 1.44E+06 3.11E+05 1.87E+06 4.55E+05 4.68E+05 4.93E+05 9.99E+05 5.78E+05 7.27E+05 9.44E+05 9.54E+05 6.69E+05 7.04E+05 1.51E+06 1.99E+06 1.84E+05 6.74E+05 8.61E+05 5.24E+05 7.12E+05 1.15E+05 3.10E+05 3.89E+05 4.41E+05 6.17E+05 3.83E+05 9.17E+05 3.10E+05 3.56E+05 8.75E+05 L-1-Pyrroline-3-hydroxy-5-carboxylate 2.17E+06 1.43E+06 2.43E+06 2.38E+06 1.84E+06 1.25E+06 1.19E+06 1.28E+06 1.83E+06 3.21E+06 2.37E+06 8.56E+05 1.79E+06 1.63E+06 1.32E+06 1.67E+06 1.53E+06 7.19E+05 2.15E+06 1.87E+06 1.47E+06 1.27E+06 1.33E+06 2.70E+06 1.59E+06 2.27E+06 1.74E+06 2.28E+06 1.59E+06 1.04E+06 1.75E+06 1.54E+06 1.66E+06 1.63E+06 1.19E+06 1.68E+06 2.47E+06 1.53E+06 2.21E+06 3.04E+06 5.30E+06 4.39E+06 3.87E+06 4.07E+06 4.38E+06 1.43E+06 2.87E+06 2.18E+06 1.50E+06 1.60E+06 1.91E+06 1.70E+06 2.09E+06 1.78E+06 3.95E+06 2.37E+06 3.26E+06 3.34E+06 4.56E+06 3.51E+06 4.40E+06 4.19E+06 2.70E+06 2.62E+06 2.09E+06 Taurine 1.68E+05 3.01E+04 2.00E+05 3.31E+04 6.12E+05 3.47E+05 3.66E+05 2.73E+05 4.75E+05 6.50E+04 4.24E+05 3.60E+05 3.73E+05 5.36E+05 2.04E+05 1.69E+04 2.14E+04 4.27E+05 3.40E+05 1.45E+05 2.18E+05 9.39E+04 3.61E+04 7.58E+04 4.50E+04 5.45E+04 3.80E+05 4.58E+05 4.65E+04 2.78E+05 3.65E+05 3.54E+05 2.23E+05 4.89E+05 5.37E+05 3.20E+05 6.50E+04 3.12E+05 2.75E+05 1.71E+05 1.40E+06 7.02E+05 6.27E+05 1.98E+05 1.34E+05 6.21E+05 6.08E+05 5.89E+05 5.39E+05 5.80E+05 6.06E+04 8.42E+05 7.29E+05 1.90E+05 2.23E+05 9.96E+04 8.77E+04 1.88E+05 2.68E+05 3.35E+05 1.42E+05 2.54E+05 2.65E+05 7.98E+04 2.21E+05 Hypotaurine 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 6.79E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 8.68E+03 0.00E+00 7.11E+03 2.75E+04 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 7.89E+03 0.00E+00 6.35E+03 6.94E+03 2.23E+04 0.00E+00 0.00E+00 4.66E+03 0.00E+00 0.00E+00 0.00E+00 3.20E+04 3.30E+04 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1.89E+04 1.70E+04 5.45E+03 3.97E+04 0.00E+00 2.85E+04 1.87E+04 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 7.44E+03 0.00E+00 0.00E+00 0.00E+00 8.43E+03 0.00E+00 6.37E+03 3-Sulfino-L-alanine 5.77E+03 0.00E+00 0.00E+00 0.00E+00 1.41E+04 0.00E+00 6.07E+03 0.00E+00 0.00E+00 0.00E+00 6.63E+03 0.00E+00 1.04E+04 1.91E+04 7.26E+03 3.89E+03 0.00E+00 2.19E+04 8.55E+03 0.00E+00 1.72E+04 0.00E+00 7.45E+03 0.00E+00 0.00E+00 0.00E+00 7.94E+03 4.16E+03 0.00E+00 2.18E+04 9.70E+03 1.58E+04 1.93E+04 2.59E+04 4.52E+03 2.25E+03 4.90E+03 5.08E+03 4.29E+03 0.00E+00 3.43E+03 8.55E+03 0.00E+00 0.00E+00 0.00E+00 6.18E+03 1.40E+04 1.14E+04 5.03E+03 5.31E+03 0.00E+00 3.46E+05 2.89E+05 0.00E+00 9.73E+04 0.00E+00 1.48E+04 4.96E+03 0.00E+00 0.00E+00 0.00E+00 1.06E+04 0.00E+00 0.00E+00 4.12E+04 L-Cysteate 7.23E+04 9.71E+04 1.18E+05 3.70E+04 1.27E+05 4.99E+04 1.28E+05 1.28E+05 6.41E+04 9.70E+04 9.38E+04 1.11E+05 6.98E+04 8.85E+04 2.11E+04 1.10E+05 1.05E+05 4.16E+04 8.98E+04 4.92E+04 9.18E+04 9.26E+04 7.27E+04 8.87E+04 1.13E+05 7.68E+04 1.43E+05 8.59E+04 6.31E+04 1.02E+05 1.06E+05 8.62E+04 1.25E+05 9.45E+04 1.01E+05 1.27E+05 8.79E+04 1.32E+05 6.81E+04 6.87E+04 1.05E+05 1.00E+05 1.51E+05 1.24E+05 3.83E+04 1.26E+05 6.53E+04 1.60E+05 7.04E+04 1.23E+05 6.80E+04 1.15E+05 6.34E+04 1.02E+05 3.69E+04 1.38E+05 5.34E+04 8.80E+04 4.51E+04 6.34E+04 7.83E+04 1.58E+05 8.72E+04 1.16E+05 1.27E+05 L-Methionine S-oxide 8.48E+05 4.71E+05 9.20E+05 7.41E+05 2.34E+05 4.36E+05 1.93E+05 3.70E+05 2.94E+05 1.11E+06 2.27E+05 1.25E+05 1.98E+05 1.79E+05 1.73E+05 5.92E+05 5.18E+05 5.77E+04 3.00E+05 3.46E+05 1.05E+05 2.45E+05 4.58E+05 5.17E+05 2.96E+05 4.24E+05 1.70E+05 1.11E+05 2.47E+05 1.32E+05 9.79E+04 1.24E+05 1.41E+05 1.11E+05 1.77E+05 2.97E+05 8.38E+05 2.26E+05 3.63E+05 1.05E+06 2.61E+05 2.71E+05 4.14E+05 4.87E+05 3.53E+05 1.14E+05 3.44E+05 1.89E+05 1.63E+05 1.20E+05 5.31E+05 1.20E+05 1.53E+05 3.30E+05 6.14E+05 3.00E+05 5.29E+05 8.04E+05 5.19E+05 3.06E+05 7.04E+05 1.84E+05 2.75E+05 4.30E+05 1.10E+05 5-Hydroxyindoleacetate 3.91E+04 1.32E+04 1.33E+05 3.86E+04 2.12E+05 6.22E+05 1.60E+05 2.00E+05 2.64E+05 8.36E+04 3.10E+05 3.26E+05 2.52E+05 2.08E+05 2.03E+05 5.51E+04 4.80E+04 1.66E+05 2.80E+05 1.24E+05 1.77E+05 3.13E+04 5.00E+04 4.06E+04 4.73E+04 7.29E+04 5.90E+05 3.83E+05 4.02E+04 2.53E+05 2.67E+05 1.98E+05 3.69E+05 2.52E+05 1.87E+05 4.90E+05 6.81E+04 2.01E+05 3.28E+05 6.55E+04 5.59E+05 6.56E+05 1.34E+05 3.96E+04 6.59E+04 2.16E+05 8.40E+04 3.59E+05 6.12E+05 3.15E+05 1.82E+04 2.31E+06 1.73E+06 7.69E+04 6.74E+04 7.58E+04 9.02E+04 1.98E+05 1.88E+05 8.85E+04 9.30E+04 2.80E+05 6.76E+04 6.88E+04 2.87E+05 3-Methyldioxyindole 1.18E+04 2.47E+04 1.08E+04 1.13E+04 1.78E+04 1.32E+04 1.57E+04 1.20E+04 2.23E+04 2.74E+04 1.62E+04 1.03E+04 1.62E+04 7.11E+03 1.90E+04 2.53E+04 2.82E+04 9.15E+03 1.76E+04 8.56E+03 2.54E+04 6.82E+03 1.20E+04 1.15E+04 1.19E+04 2.98E+04 1.16E+04 1.09E+04 1.09E+04 6.08E+03 6.52E+03 4.57E+03 6.36E+03 9.91E+03 6.18E+03 2.59E+04 2.49E+04 1.57E+04 8.61E+03 2.54E+04 1.26E+04 1.67E+04 8.34E+03 2.40E+04 6.58E+04 1.48E+04 2.88E+04 0.00E+00 2.41E+04 2.14E+04 1.16E+04 9.87E+03 6.70E+03 2.45E+04 3.80E+04 6.81E+04 4.92E+04 3.83E+04 1.90E+04 1.12E+05 2.82E+04 1.12E+04 2.71E+04 1.61E+04 1.08E+04 Indole 1.21E+06 7.10E+05 1.64E+06 1.33E+06 8.88E+05 1.08E+06 4.52E+05 1.19E+06 9.73E+05 2.42E+06 1.46E+06 7.77E+05 1.12E+06 1.09E+06 2.26E+06 2.56E+06 2.39E+06 3.61E+05 1.90E+06 2.66E+06 1.06E+06 4.42E+06 2.44E+06 2.12E+06 2.23E+06 2.46E+06 1.30E+06 1.05E+06 2.21E+06 1.25E+06 8.65E+05 9.10E+05 1.13E+06 1.34E+06 4.94E+05 7.20E+05 1.92E+06 8.74E+05 1.81E+06 3.67E+06 1.72E+06 1.99E+06 2.24E+06 3.09E+06 5.89E+06 7.79E+05 1.91E+06 9.95E+05 7.67E+05 1.06E+06 2.07E+06 9.23E+05 1.48E+06 2.60E+06 1.23E+06 3.60E+06 3.58E+06 4.34E+06 3.67E+06 1.49E+06 3.24E+06 1.10E+06 2.27E+06 3.90E+06 1.16E+06 Indole-3-acetate 3.52E+05 1.38E+05 2.22E+05 1.82E+05 2.32E+04 1.07E+05 5.30E+04 1.05E+05 3.00E+05 1.04E+06 1.12E+05 7.92E+04 7.50E+04 2.15E+05 4.67E+04 2.11E+05 2.09E+06 2.97E+04 1.73E+05 1.92E+05 5.86E+05 2.17E+05 3.07E+05 3.78E+05 2.52E+05 5.93E+05 1.36E+05 1.27E+05 3.57E+05 7.63E+04 9.56E+04 2.56E+04 8.34E+04 7.30E+04 2.27E+04 9.25E+04 3.69E+05 6.72E+04 2.92E+05 2.59E+05 1.08E+05 3.22E+05 7.57E+04 5.22E+05 1.06E+06 5.44E+04 3.11E+05 1.06E+05 1.61E+05 2.12E+05 1.82E+05 8.41E+04 1.14E+05 4.73E+05 2.59E+06 1.71E+06 2.79E+05 6.41E+05 4.53E+05 5.75E+05 5.21E+05 1.15E+05 1.97E+05 5.09E+05 3.93E+04 Indoxyl 8.14E+04 1.97E+04 6.18E+04 2.33E+04 2.71E+04 3.10E+04 1.93E+04 2.58E+04 4.78E+04 5.28E+04 2.44E+04 1.26E+05 3.61E+04 1.35E+04 4.15E+04 4.78E+05 1.37E+05 2.15E+04 1.52E+04 1.56E+04 6.71E+04 2.02E+05 4.42E+04 3.86E+04 3.57E+04 1.14E+05 5.69E+04 7.71E+04 9.27E+04 2.03E+04 2.73E+04 3.11E+04 2.33E+04 2.95E+04 4.15E+04 8.75E+04 1.68E+05 5.01E+04 3.79E+04 2.15E+05 4.14E+04 8.60E+04 9.03E+04 6.88E+04 1.48E+05 2.56E+04 1.54E+05 2.25E+04 9.95E+04 7.13E+04 1.43E+05 1.22E+04 4.26E+04 1.36E+05 1.32E+05 8.23E+04 2.60E+05 3.39E+05 5.43E+04 1.59E+05 2.18E+05 2.13E+04 9.37E+04 2.84E+05 3.67E+04 L-Tryptophamide 0.00E+00 6.98E+03 1.27E+04 0.00E+00 2.02E+03 3.78E+03 1.76E+03 0.00E+00 0.00E+00 2.12E+04 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1.58E+04 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1.46E+04 0.00E+00 8.58E+03 3.84E+04 0.00E+00 3.17E+03 0.00E+00 0.00E+00 2.94E+03 0.00E+00 3.49E+03 0.00E+00 0.00E+00 2.34E+03 3.29E+03 0.00E+00 0.00E+00 4.02E+03 0.00E+00 5.35E+03 1.33E+04 0.00E+00 0.00E+00 0.00E+00 3.05E+03 4.22E+03 1.41E+04 0.00E+00 0.00E+00 4.01E+04 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 4.80E+04 0.00E+00 2.21E+03 1.48E+04 1.27E+04 0.00E+00 Kynurenine 1.09E+05 3.51E+04 3.88E+05 9.70E+04 5.83E+05 1.83E+06 4.26E+05 7.21E+05 7.89E+05 2.97E+05 8.59E+05 9.36E+05 6.58E+05 6.61E+05 5.91E+05 1.78E+05 1.54E+05 4.63E+05 7.62E+05 3.59E+05 5.18E+05 9.48E+04 1.49E+05 1.04E+05 1.10E+05 2.04E+05 1.61E+06 1.16E+06 1.27E+05 6.99E+05 7.01E+05 6.34E+05 1.01E+06 5.61E+05 5.24E+05 1.42E+06 2.28E+05 5.68E+05 8.73E+05 1.53E+05 1.76E+06 1.86E+06 3.71E+05 1.44E+05 2.03E+05 5.38E+05 2.39E+05 1.13E+06 1.79E+06 9.14E+05 9.41E+04 7.25E+05 1.13E+06 2.07E+05 3.10E+05 1.91E+05 2.50E+05 5.07E+05 5.04E+05 2.41E+05 2.33E+05 7.61E+05 1.97E+05 1.57E+05 6.52E+05 Kynurenic acid 2.88E+04 3.05E+04 5.47E+04 5.84E+04 1.59E+04 4.10E+04 3.91E+04 4.00E+04 2.27E+04 1.74E+05 5.07E+04 4.08E+04 4.36E+04 4.05E+04 2.70E+04 8.01E+04 1.11E+05 3.15E+04 7.77E+04 1.34E+05 4.09E+04 5.79E+04 5.56E+04 1.14E+05 9.61E+04 1.05E+05 5.73E+04 5.80E+04 1.28E+05 6.18E+04 4.50E+04 2.20E+04 4.22E+04 3.34E+04 3.29E+04 4.30E+04 7.47E+04 3.51E+04 6.15E+04 9.33E+04 5.09E+04 7.85E+04 5.65E+04 1.12E+05 4.36E+05 4.41E+04 7.54E+04 5.09E+04 7.80E+04 8.51E+04 4.75E+04 2.71E+04 5.07E+04 1.38E+05 1.23E+05 1.02E+05 1.08E+05 1.82E+05 6.46E+04 2.16E+05 1.37E+05 2.72E+04 6.26E+04 1.07E+05 3.10E+04 Anthranilate 2.40E+05 0.00E+00 1.66E+06 4.47E+05 6.15E+04 7.81E+04 2.01E+05 5.54E+04 3.25E+05 3.06E+05 8.00E+04 2.04E+05 1.37E+05 4.27E+04 3.83E+04 8.82E+04 4.04E+05 4.31E+04 4.49E+05 4.22E+05 1.12E+05 7.20E+05 2.43E+05 5.30E+05 2.64E+05 2.30E+05 1.19E+06 3.71E+05 6.65E+04 8.18E+04 4.34E+05 6.35E+04 2.53E+05 2.24E+05 6.38E+04 2.13E+05 4.75E+05 2.11E+05 2.30E+05 1.94E+05 6.19E+05 1.23E+06 3.63E+05 2.82E+05 3.14E+06 8.35E+05 2.51E+05 3.35E+05 8.90E+05 2.53E+06 1.12E+05 2.54E+05 6.17E+05 3.85E+05 2.60E+05 4.46E+05 1.27E+05 2.87E+05 3.04E+05 6.52E+05 2.50E+05 5.03E+05 3.49E+06 4.46E+05 1.89E+05 g-Oxalo-crotote 3.17E+05 4.59E+03 3.12E+05 2.21E+04 6.15E+03 1.10E+05 1.81E+04 5.12E+04 2.17E+05 2.47E+05 3.49E+04 2.71E+04 9.85E+04 9.42E+04 8.03E+04 2.82E+05 2.36E+05 1.34E+05 1.17E+05 5.27E+05 6.37E+04 7.37E+05 1.82E+05 3.28E+05 2.95E+05 8.23E+04 1.15E+04 2.03E+03 1.83E+05 1.33E+05 6.27E+04 9.07E+03 1.02E+05 1.05E+05 1.29E+04 2.00E+04 4.73E+04 5.11E+04 3.14E+05 1.50E+06 3.26E+06 1.99E+06 9.00E+06 6.79E+06 7.64E+05 7.04E+04 7.69E+05 2.97E+04 7.63E+03 9.56E+04 1.96E+05 7.79E+04 1.67E+05 2.48E+05 8.35E+05 7.35E+04 2.09E+05 8.46E+05 1.09E+06 2.02E+05 2.55E+05 3.72E+03 1.20E+06 5.34E+03 8.33E+04 2-Aminomucote 0.00E+00 0.00E+00 0.00E+00 3.35E+03 5.86E+03 0.00E+00 3.77E+03 0.00E+00 0.00E+00 0.00E+00 1.40E+04 0.00E+00 2.36E+04 1.07E+04 8.31E+03 8.83E+03 0.00E+00 9.01E+03 7.27E+03 7.12E+03 5.95E+03 0.00E+00 0.00E+00 0.00E+00 1.10E+04 3.88E+03 0.00E+00 1.50E+04 2.02E+04 0.00E+00 0.00E+00 6.76E+03 8.87E+03 0.00E+00 0.00E+00 4.03E+03 5.21E+04 5.50E+03 8.82E+03 1.64E+04 0.00E+00 9.81E+03 0.00E+00 0.00E+00 3.66E+04 6.07E+03 0.00E+00 6.29E+03 1.27E+04 1.03E+04 7.30E+03 0.00E+00 0.00E+00 1.27E+05 0.00E+00 1.71E+04 1.69E+04 0.00E+00 0.00E+00 4.52E+04 2.65E+04 9.09E+03 0.00E+00 1.39E+04 5.68E+03 8-Methoxykynurete 0.00E+00 0.00E+00 0.00E+00 1.00E+04 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 4.50E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 9.89E+03 9.94E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 4.57E+03 0.00E+00 0.00E+00 2.65E+04 4.35E+03 0.00E+00 0.00E+00 0.00E+00 4.80E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 9.63E+03 2.46E+04 2.02E+04 3.12E+04 0.00E+00 3.46E+04 2.14E+04 0.00E+00 3.70E+04 0.00E+00 0.00E+00 Serotonin 7.08E+04 2.15E+04 2.44E+04 6.36E+06 3.47E+04 1.88E+04 1.71E+04 3.05E+04 2.06E+04 1.02E+07 2.34E+04 1.54E+04 1.91E+04 3.13E+04 1.52E+04 2.27E+04 1.49E+04 1.78E+04 2.77E+06 1.15E+04 8.39E+03 1.83E+04 2.11E+04 1.44E+04 1.55E+04 1.45E+04 1.34E+04 3.08E+04 9.16E+03 1.37E+04 1.26E+04 1.22E+04 1.27E+04 1.90E+04 2.00E+04 1.25E+04 1.44E+04 1.81E+04 7.67E+03 2.21E+04 8.32E+03 3.80E+04 8.76E+04 6.55E+04 1.38E+04 1.41E+04 2.47E+05 2.36E+04 2.11E+04 1.90E+04 1.15E+04 6.11E+04 2.50E+04 7.88E+04 1.28E+04 2.36E+04 1.52E+04 1.82E+04 1.38E+04 8.07E+04 1.43E+04 1.47E+04 2.70E+04 1.23E+04 1.90E+04 Diethanolamine 1.08E+05 8.31E+04 1.09E+05 1.37E+05 4.09E+04 4.81E+04 6.75E+04 7.39E+04 4.65E+04 1.54E+05 5.19E+04 4.21E+04 3.70E+04 4.71E+04 3.09E+04 9.77E+04 5.11E+04 5.63E+04 4.98E+04 6.69E+04 3.68E+04 8.39E+04 9.68E+04 6.31E+04 8.86E+04 7.66E+04 6.58E+04 5.20E+04 1.06E+05 6.24E+04 4.26E+04 1.52E+04 2.26E+04 3.93E+04 5.41E+04 6.43E+04 1.44E+05 3.58E+04 6.88E+04 9.49E+04 3.57E+04 7.00E+04 5.05E+04 1.10E+05 3.26E+05 4.63E+04 7.05E+04 7.95E+04 2.00E+05 1.00E+05 9.89E+04 4.26E+04 7.18E+04 1.65E+05 3.91E+04 2.17E+05 8.09E+04 1.62E+05 4.88E+04 2.53E+05 6.76E+04 3.56E+04 8.57E+04 6.56E+04 4.56E+04 Triethanolamine 2.66E+04 1.35E+04 1.54E+05 1.65E+04 3.07E+04 1.54E+04 2.89E+04 8.61E+04 5.67E+04 0.00E+00 5.99E+04 2.21E+04 4.73E+04 2.67E+04 2.84E+04 3.57E+04 8.09E+03 4.66E+04 4.74E+04 3.73E+04 3.40E+04 1.25E+04 0.00E+00 4.66E+03 1.87E+04 1.35E+04 8.79E+03 1.55E+04 1.17E+04 3.93E+04 2.69E+04 2.13E+04 1.97E+04 4.16E+03 6.02E+04 3.57E+04 1.48E+04 2.34E+04 3.11E+04 0.00E+00 2.50E+04 2.02E+04 3.78E+04 1.11E+04 1.19E+04 9.67E+03 5.24E+03 6.15E+04 1.85E+04 1.73E+04 1.40E+04 2.29E+04 1.14E+04 0.00E+00 6.52E+04 1.39E+04 2.06E+04 1.46E+04 1.23E+04 2.39E+04 5.41E+03 4.26E+04 1.26E+04 0.00E+00 1.41E+04 Phosphodimethyl-ethanolamine 7.58E+04 5.51E+04 1.34E+04 7.15E+04 0.00E+00 0.00E+00 0.00E+00 0.00E+00 3.82E+03 2.60E+04 0.00E+00 3.71E+04 4.44E+03 0.00E+00 0.00E+00 1.83E+04 7.57E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 4.73E+04 1.84E+04 3.15E+04 2.97E+04 0.00E+00 1.02E+04 3.19E+04 0.00E+00 8.81E+03 0.00E+00 5.55E+03 1.25E+04 0.00E+00 2.49E+04 7.56E+04 1.06E+04 0.00E+00 7.37E+04 3.96E+04 3.72E+04 5.77E+03 1.34E+05 3.24E+05 0.00E+00 0.00E+00 4.97E+04 2.94E+04 0.00E+00 2.71E+04 0.00E+00 1.17E+04 3.07E+05 4.11E+04 2.84E+04 9.81E+04 0.00E+00 0.00E+00 5.30E+05 4.74E+04 0.00E+00 1.71E+04 9.21E+04 2.45E+04 Acetylcarnitine 1.10E+07 1.82E+07 3.08E+07 1.86E+07 1.86E+07 2.03E+07 1.22E+07 1.50E+07 2.39E+07 1.66E+07 1.89E+07 1.15E+07 1.80E+07 1.31E+07 6.59E+06 1.81E+07 1.28E+07 1.26E+07 2.34E+07 2.46E+07 8.50E+06 2.84E+07 1.35E+07 2.97E+07 3.54E+07 1.60E+07 4.07E+07 1.29E+07 1.51E+07 2.50E+07 1.46E+07 1.61E+07 2.62E+07 1.73E+07 1.95E+07 1.68E+07 2.25E+07 2.56E+07 1.19E+07 1.24E+07 2.83E+07 2.67E+07 2.81E+07 3.11E+07 1.91E+07 9.90E+06 4.92E+07 9.37E+06 1.87E+07 1.22E+07 1.84E+07 1.01E+07 1.85E+07 2.63E+07 6.53E+06 1.23E+07 1.42E+07 5.03E+07 4.79E+07 3.64E+07 1.90E+07 1.32E+07 4.16E+07 1.53E+07 1.71E+07 Propionylcarnitine 5.72E+05 1.15E+06 9.05E+05 4.62E+05 1.38E+05 4.17E+05 2.37E+05 1.87E+05 6.96E+05 1.30E+06 2.07E+05 2.06E+05 5.07E+05 1.54E+05 1.24E+05 1.05E+06 9.35E+05 8.01E+04 4.90E+05 7.20E+05 1.12E+05 9.49E+05 4.58E+05 1.31E+06 5.38E+05 5.08E+05 2.97E+05 1.76E+05 9.87E+05 3.18E+05 1.31E+05 8.48E+04 1.51E+05 1.79E+05 1.43E+05 3.12E+05 6.73E+05 2.34E+05 8.52E+05 8.57E+05 4.14E+05 5.24E+05 8.07E+05 3.14E+06 1.39E+06 1.01E+05 2.60E+06 3.50E+05 5.14E+05 1.90E+05 1.11E+06 6.25E+04 3.61E+05 1.03E+06 1.11E+06 8.63E+05 9.75E+05 1.62E+06 2.19E+06 8.42E+05 1.70E+06 1.73E+05 2.72E+06 8.76E+05 2.04E+05 Butyrylcarnitine 5.64E+05 3.51E+05 2.83E+05 6.63E+05 7.74E+04 1.60E+05 8.77E+04 7.06E+04 6.52E+04 7.51E+05 1.04E+05 1.04E+05 7.97E+04 5.45E+04 1.10E+05 1.01E+06 6.70E+05 2.83E+04 7.56E+04 3.12E+05 3.01E+04 5.75E+05 4.33E+05 6.20E+05 6.57E+05 3.80E+05 1.97E+05 1.11E+05 7.00E+05 5.94E+04 4.24E+04 6.42E+04 5.92E+04 2.33E+04 1.20E+05 1.46E+05 9.06E+05 1.15E+05 1.57E+05 8.49E+05 1.70E+05 1.17E+05 2.36E+05 1.16E+06 3.85E+06 4.95E+04 5.52E+05 5.51E+04 4.55E+05 1.07E+05 7.53E+05 3.53E+04 2.27E+05 1.66E+06 1.01E+05 9.80E+05 1.03E+06 8.50E+05 6.96E+05 1.30E+06 6.03E+05 4.33E+04 3.51E+05 6.23E+05 8.07E+04 Tiglylcarnitine 6.48E+04 3.86E+04 5.03E+04 3.72E+04 4.74E+04 4.29E+04 3.67E+04 5.27E+04 5.56E+04 1.29E+05 3.88E+04 3.76E+04 5.03E+04 4.52E+04 4.05E+04 9.59E+04 1.55E+05 3.99E+04 5.99E+04 2.98E+04 5.22E+04 6.65E+04 2.39E+04 7.81E+04 8.61E+04 9.46E+04 4.71E+04 4.53E+04 8.17E+04 3.60E+04 4.37E+04 3.84E+04 5.00E+04 3.66E+04 4.73E+04 5.07E+04 2.78E+05 5.34E+04 6.48E+04 2.68E+05 4.53E+04 7.63E+04 7.70E+04 1.83E+05 4.18E+05 4.29E+04 9.02E+04 5.87E+04 6.85E+04 4.71E+04 7.72E+04 4.11E+04 3.49E+04 5.72E+05 3.11E+04 8.93E+04 1.79E+05 2.21E+05 1.05E+05 1.84E+05 1.48E+05 3.80E+04 1.67E+05 5.14E+04 9.57E+04 Valerylcarnitine 9.46E+05 3.73E+05 6.29E+05 1.38E+06 2.38E+05 5.94E+05 3.43E+05 2.49E+05 3.75E+05 2.89E+06 3.39E+05 3.21E+05 3.95E+05 2.71E+05 2.52E+05 1.97E+06 2.93E+06 1.53E+05 4.26E+05 2.36E+06 3.28E+05 6.30E+05 1.28E+06 2.62E+06 9.89E+05 1.30E+06 6.42E+05 6.00E+05 1.76E+06 3.07E+05 3.31E+05 2.35E+05 4.01E+05 2.61E+05 4.06E+05 5.06E+05 2.72E+06 4.56E+05 6.09E+05 1.82E+06 4.34E+05 1.21E+06 8.99E+05 2.33E+06 4.39E+06 2.86E+05 1.60E+06 2.01E+05 4.67E+05 4.35E+05 2.32E+06 1.95E+05 9.16E+05 4.88E+06 4.95E+05 1.91E+06 2.45E+06 2.78E+06 1.97E+06 2.68E+06 1.95E+06 3.12E+05 1.68E+06 3.79E+06 3.70E+05 Hexenoylcarnitine 4.46E+04 3.10E+04 3.50E+04 8.27E+04 1.77E+04 1.09E+04 5.97E+03 1.92E+04 1.68E+04 9.48E+04 1.38E+04 1.10E+04 1.43E+04 1.07E+04 1.23E+04 6.33E+04 7.39E+04 9.83E+03 3.64E+04 6.33E+04 1.28E+04 5.86E+04 6.50E+04 7.74E+04 1.29E+05 6.07E+04 5.31E+04 6.08E+03 4.20E+04 2.95E+04 8.75E+03 2.56E+04 8.10E+03 1.60E+04 1.85E+04 2.24E+04 3.64E+04 1.74E+04 1.75E+04 8.28E+04 4.87E+04 2.62E+04 2.87E+04 1.09E+05 2.47E+05 4.71E+03 4.07E+04 1.23E+04 2.02E+04 5.55E+04 5.59E+04 1.36E+04 1.45E+04 1.88E+05 3.60E+04 5.49E+04 6.93E+04 1.04E+05 3.49E+04 2.50E+05 5.03E+04 1.34E+04 5.35E+04 8.20E+04 1.10E+05 Hexanoylcarnitine 2.08E+05 3.60E+05 6.09E+05 1.38E+06 1.38E+05 1.81E+05 9.16E+04 1.44E+05 9.72E+04 4.59E+05 2.24E+05 1.03E+05 4.10E+05 1.02E+05 4.55E+04 7.73E+05 4.76E+05 9.78E+04 2.63E+05 1.28E+06 6.92E+04 7.94E+05 7.35E+05 1.38E+06 1.51E+06 3.03E+05 2.42E+05 1.01E+05 2.32E+05 2.95E+05 1.11E+05 8.77E+05 1.27E+05 1.92E+05 2.42E+05 1.04E+05 7.32E+05 2.16E+05 1.72E+05 4.11E+05 1.52E+05 2.17E+05 4.55E+05 6.71E+05 8.87E+05 1.23E+05 5.32E+05 3.24E+05 1.52E+05 1.55E+05 6.33E+05 1.20E+05 1.25E+05 8.31E+05 3.26E+05 5.15E+05 4.62E+05 1.08E+06 3.98E+05 1.08E+06 5.77E+05 8.66E+04 6.06E+05 4.82E+05 1.44E+05 Methylmalonylcarnitine 8.50E+03 2.29E+03 6.71E+04 6.44E+03 1.14E+04 3.42E+04 3.58E+04 2.13E+04 3.22E+04 5.92E+04 2.77E+04 3.10E+04 3.19E+04 5.59E+03 1.84E+04 9.20E+03 6.52E+03 4.35E+03 2.06E+04 6.01E+04 1.31E+04 1.16E+04 5.29E+03 6.25E+03 3.93E+03 7.02E+03 3.65E+04 8.36E+03 4.41E+03 1.57E+04 1.14E+04 2.56E+04 1.74E+04 2.01E+04 8.00E+03 2.06E+04 1.64E+04 2.51E+04 3.67E+04 9.09E+03 6.58E+04 6.53E+04 6.61E+04 1.21E+04 2.53E+04 3.65E+04 2.05E+04 2.82E+04 5.72E+04 3.87E+04 9.56E+03 2.25E+04 5.47E+04 9.71E+03 0.00E+00 7.31E+03 4.36E+03 7.97E+04 7.28E+04 8.10E+03 2.57E+04 4.23E+04 1.05E+05 1.47E+04 2.66E+04 Octenoylcarnitine 7.21E+05 5.35E+05 1.32E+06 3.19E+06 8.55E+05 1.01E+06 2.11E+05 5.59E+05 2.31E+05 5.78E+06 9.28E+05 4.09E+05 5.36E+05 4.90E+05 1.15E+05 4.17E+06 4.84E+06 1.50E+05 1.93E+06 1.05E+06 3.60E+05 6.43E+05 3.03E+06 4.53E+06 4.32E+06 1.40E+06 2.30E+06 4.65E+05 1.60E+06 1.00E+06 9.94E+05 5.22E+05 5.57E+05 7.69E+05 1.84E+05 1.22E+06 1.55E+06 3.55E+05 4.42E+05 2.24E+06 1.60E+06 7.44E+05 3.54E+06 2.85E+06 1.38E+07 1.88E+05 2.07E+06 4.30E+05 5.16E+05 5.47E+05 1.37E+06 1.72E+05 3.73E+05 9.19E+06 1.37E+06 1.99E+06 3.73E+06 7.81E+06 2.09E+06 1.99E+07 3.16E+06 5.45E+05 4.27E+06 9.09E+06 1.23E+06 Octanoylcarnitine 1.45E+06 3.03E+06 4.00E+06 1.25E+07 5.44E+05 8.50E+05 5.44E+05 5.76E+05 2.16E+05 2.99E+06 1.05E+06 3.56E+05 2.44E+06 2.92E+05 1.19E+05 4.87E+06 2.59E+06 1.74E+05 1.33E+06 8.32E+06 1.98E+05 5.31E+06 8.26E+06 1.09E+07 8.64E+06 1.85E+06 1.40E+06 5.07E+05 1.82E+06 1.66E+06 2.99E+05 6.20E+06 4.62E+05 7.47E+05 1.34E+06 4.03E+05 8.72E+06 9.58E+05 6.54E+05 3.62E+06 8.41E+05 1.46E+06 3.09E+06 3.85E+06 4.63E+06 8.29E+05 2.69E+06 2.45E+06 6.05E+05 5.65E+05 3.35E+06 5.26E+05 5.29E+05 6.99E+06 2.16E+06 3.12E+06 3.21E+06 6.77E+06 3.48E+06 5.19E+06 3.52E+06 3.98E+05 3.83E+06 3.89E+06 8.12E+05 Dimethylheptanoyl carnitine 3.59E+05 8.29E+04 6.95E+04 8.28E+05 2.38E+04 6.38E+04 1.18E+05 9.56E+04 2.21E+04 4.64E+05 7.17E+04 8.10E+04 1.43E+05 2.92E+04 1.73E+04 3.82E+05 9.80E+05 1.10E+04 9.50E+04 6.57E+05 1.68E+04 1.92E+05 3.44E+05 4.96E+05 2.55E+05 6.52E+05 5.76E+04 2.75E+04 4.46E+05 8.42E+04 8.86E+04 4.79E+04 4.25E+04 7.32E+04 2.73E+04 8.92E+04 5.43E+05 3.50E+04 4.03E+04 3.93E+05 5.97E+04 7.83E+04 8.76E+04 2.97E+05 1.68E+06 3.66E+04 1.54E+05 4.30E+04 1.16E+05 1.34E+05 1.77E+05 3.36E+04 4.41E+04 3.60E+05 1.26E+05 1.61E+05 5.90E+05 4.88E+05 1.12E+05 3.55E+05 1.46E+05 3.10E+04 9.43E+04 5.74E+05 3.82E+04 Pimelylcarnitine 2.70E+04 1.84E+04 1.47E+05 6.47E+04 1.33E+04 1.08E+04 4.93E+03 7.70E+03 1.80E+04 6.93E+04 1.26E+04 8.66E+03 1.00E+04 2.94E+03 5.58E+03 1.91E+04 2.39E+04 2.01E+03 9.39E+03 0.00E+00 9.70E+03 4.55E+04 3.03E+04 1.91E+04 4.98E+04 0.00E+00 2.96E+04 5.81E+03 0.00E+00 1.05E+04 1.09E+04 1.58E+04 4.75E+03 6.69E+03 5.39E+03 1.38E+04 4.53E+04 1.10E+04 6.93E+03 8.67E+04 1.29E+04 5.06E+04 0.00E+00 4.56E+04 1.18E+06 6.93E+03 2.97E+03 8.52E+03 3.99E+04 3.52E+04 0.00E+00 0.00E+00 0.00E+00 1.96E+05 1.60E+04 1.22E+04 0.00E+00 7.18E+04 1.08E+04 1.50E+05 2.44E+04 1.04E+04 3.67E+04 5.70E+03 1.14E+04 Hydroxyoctanoyl carnitine 1.80E+05 2.95E+05 3.29E+05 1.65E+06 7.71E+04 2.01E+05 1.05E+05 1.75E+05 6.51E+04 7.78E+05 2.24E+05 1.21E+05 2.13E+05 9.43E+04 2.79E+04 5.82E+05 6.96E+05 4.28E+04 2.69E+05 6.74E+05 5.06E+04 4.78E+05 6.05E+05 4.51E+05 1.51E+06 5.28E+05 3.30E+05 6.17E+04 3.87E+05 2.14E+05 6.08E+04 1.38E+05 2.02E+05 1.22E+05 1.36E+05 9.06E+04 1.18E+06 1.60E+05 1.69E+05 6.85E+05 1.73E+05 1.70E+05 3.55E+05 5.81E+05 6.75E+05 1.04E+05 6.74E+05 1.56E+05 1.22E+05 1.93E+05 4.79E+05 9.56E+04 1.27E+05 1.92E+06 3.29E+05 2.74E+05 5.16E+05 8.02E+05 4.35E+05 1.25E+06 4.52E+05 5.39E+04 2.15E+05 4.57E+05 1.10E+05 Decanoylcarnitine 1.47E+05 3.19E+05 5.94E+05 1.62E+06 1.10E+05 1.13E+05 1.18E+05 1.19E+05 4.27E+04 7.85E+05 2.72E+05 9.59E+04 6.76E+05 8.00E+04 4.08E+04 1.09E+06 4.94E+05 5.47E+04 3.35E+05 2.07E+06 5.68E+04 1.24E+06 2.55E+06 2.59E+06 3.01E+06 5.04E+05 5.19E+05 1.03E+05 5.29E+05 5.63E+05 1.10E+05 2.25E+06 2.16E+05 3.76E+05 3.12E+05 1.01E+05 1.25E+06 2.51E+05 1.32E+05 7.23E+05 1.71E+05 4.33E+05 5.96E+05 6.18E+05 7.00E+05 3.02E+05 1.02E+06 5.80E+05 1.60E+05 2.21E+05 1.03E+06 2.13E+05 1.64E+05 2.25E+06 8.93E+05 9.33E+05 8.85E+05 1.78E+06 9.80E+05 1.38E+06 1.26E+06 9.88E+04 9.52E+05 1.19E+06 2.56E+05 Dimethylnonoyl carnitine 1.48E+04 9.42E+03 7.76E+03 2.64E+04 4.26E+03 1.13E+03 8.82E+03 4.29E+03 8.46E+03 2.35E+04 6.55E+03 8.47E+03 7.28E+03 9.76E+03 1.04E+04 1.18E+04 5.54E+04 4.71E+03 9.81E+03 6.66E+04 7.84E+03 1.12E+04 3.29E+04 5.41E+04 2.50E+04 6.95E+04 0.00E+00 8.93E+03 1.97E+04 1.33E+04 1.21E+04 1.37E+04 1.11E+04 1.50E+04 9.39E+03 0.00E+00 1.85E+04 8.87E+03 4.26E+02 7.68E+03 7.58E+03 0.00E+00 5.26E+03 9.69E+03 1.65E+04 5.91E+03 9.12E+03 1.03E+04 4.68E+03 1.05E+04 6.73E+03 8.42E+03 4.80E+03 1.72E+04 9.96E+03 1.14E+04 5.54E+04 3.61E+04 1.17E+04 1.32E+04 1.45E+04 1.16E+04 1.19E+04 3.99E+04 1.20E+04 Hydroxydecanoyl carnitine 2.21E+05 3.18E+05 4.01E+05 2.63E+06 9.09E+04 1.21E+05 1.13E+05 9.71E+04 2.97E+04 9.73E+05 1.55E+05 9.86E+04 1.41E+05 5.94E+04 2.47E+04 5.93E+05 7.84E+05 1.49E+04 2.87E+05 6.05E+05 2.87E+04 4.19E+05 9.57E+05 5.48E+05 1.87E+06 4.83E+05 3.18E+05 5.04E+04 5.87E+05 1.81E+05 5.39E+04 1.43E+05 1.16E+05 9.46E+04 9.44E+04 6.82E+04 1.51E+06 1.73E+05 1.33E+05 1.28E+06 1.23E+05 1.47E+05 4.51E+05 6.48E+05 8.73E+05 6.53E+04 7.02E+05 1.41E+05 7.99E+04 1.59E+05 5.43E+05 8.60E+04 1.12E+05 2.83E+06 4.52E+05 3.98E+05 6.98E+05 9.33E+05 5.46E+05 1.21E+06 5.74E+05 3.86E+04 2.73E+05 5.81E+05 1.05E+05 Dodecenoylcarnitine 1.77E+04 2.41E+04 5.15E+04 6.68E+04 7.02E+03 1.20E+04 3.69E+03 8.40E+03 4.22E+03 2.80E+04 1.31E+04 3.63E+03 1.31E+04 2.79E+03 1.32E+03 3.08E+04 2.57E+04 6.54E+03 1.89E+04 2.38E+04 3.91E+03 3.73E+04 9.14E+04 6.08E+04 1.32E+05 2.71E+04 3.37E+04 2.16E+03 2.10E+04 2.21E+04 4.89E+03 9.97E+04 9.73E+03 1.71E+04 1.32E+04 3.51E+03 3.65E+04 7.74E+03 8.40E+03 2.66E+04 6.92E+03 1.01E+04 1.59E+04 2.20E+04 2.00E+04 5.44E+03 3.51E+04 7.48E+03 4.44E+03 8.12E+03 1.98E+04 5.29E+03 5.58E+03 4.63E+04 1.55E+04 1.58E+04 2.50E+04 5.04E+04 2.57E+04 1.37E+05 2.30E+04 5.77E+03 2.32E+04 5.87E+04 1.31E+04 Dodecanoylcarnitine 3.17E+04 3.67E+04 7.69E+04 1.52E+05 1.21E+04 1.57E+04 9.32E+03 1.10E+04 5.85E+03 1.10E+05 2.73E+04 7.97E+03 3.62E+04 7.06E+03 5.73E+03 9.82E+04 6.27E+04 6.91E+03 2.82E+04 1.02E+05 4.83E+03 6.18E+04 1.60E+05 1.93E+05 2.87E+05 5.03E+04 7.82E+04 6.59E+03 4.96E+04 2.92E+04 1.04E+04 9.76E+04 1.50E+04 2.17E+04 2.86E+04 7.75E+03 1.29E+05 2.60E+04 1.64E+04 6.77E+04 1.57E+04 2.79E+04 3.94E+04 4.23E+04 4.25E+04 1.37E+04 9.28E+04 2.66E+04 1.37E+04 1.80E+04 6.50E+04 1.05E+04 1.64E+04 1.44E+05 4.70E+04 1.20E+05 7.29E+04 7.82E+04 6.56E+04 1.69E+05 6.65E+04 6.35E+03 6.86E+04 8.35E+04 1.31E+04 Hydroxyundecanoyl carnitine 1.94E+04 9.36E+03 1.02E+04 2.68E+04 2.04E+04 1.83E+04 1.38E+04 6.55E+03 1.29E+04 2.90E+04 1.25E+04 7.72E+03 6.67E+03 7.79E+03 1.33E+04 1.83E+04 4.23E+04 1.34E+04 8.09E+03 7.44E+03 2.20E+04 1.67E+04 1.52E+04 2.02E+04 3.04E+04 2.44E+04 1.52E+04 1.10E+04 2.22E+04 1.01E+04 1.07E+04 1.39E+04 1.73E+04 1.78E+04 1.59E+04 1.08E+04 1.95E+04 8.03E+03 1.99E+04 2.25E+04 7.51E+03 1.46E+04 1.46E+04 3.06E+04 9.19E+04 6.86E+03 5.97E+03 7.60E+03 1.52E+04 1.62E+04 1.91E+04 1.04E+04 1.04E+04 2.71E+04 9.94E+03 1.29E+04 1.25E+04 1.67E+04 1.79E+04 2.63E+04 1.68E+04 1.63E+04 1.84E+04 3.43E+04 1.53E+04 Hydroxydodecanoyl carnitine 5.79E+03 4.40E+03 6.09E+03 2.91E+04 1.23E+03 3.70E+03 1.48E+03 3.09E+03 1.74E+03 4.38E+04 5.50E+03 3.07E+03 9.47E+03 0.00E+00 8.37E+03 2.28E+04 1.73E+04 3.66E+03 1.46E+04 2.50E+04 1.24E+03 1.81E+04 3.25E+04 2.58E+04 7.65E+04 3.00E+04 2.37E+04 1.90E+03 3.33E+04 1.40E+04 3.91E+03 1.55E+04 7.60E+03 6.68E+03 7.25E+03 3.14E+03 4.82E+04 2.32E+03 4.40E+03 3.04E+04 6.52E+03 7.98E+03 1.29E+04 2.94E+04 3.30E+04 3.26E+03 3.61E+04 6.47E+03 5.30E+03 1.87E+04 2.81E+04 4.95E+03 9.53E+03 1.07E+05 2.46E+04 2.60E+04 3.89E+04 4.62E+04 2.55E+04 9.54E+04 3.55E+04 1.68E+03 2.26E+04 4.04E+04 2.25E+03 Tetradecenoylcarnitine 3.93E+04 2.52E+04 4.85E+04 1.57E+05 1.30E+04 1.40E+04 4.42E+03 1.03E+04 6.68E+03 9.41E+04 2.39E+04 7.51E+03 2.73E+04 4.19E+03 8.01E+03 7.19E+04 4.68E+04 1.18E+04 3.59E+04 7.64E+04 6.43E+03 5.85E+04 1.47E+05 8.31E+04 3.08E+05 4.42E+04 6.27E+04 7.06E+03 5.13E+04 2.97E+04 9.14E+03 9.21E+04 1.58E+04 1.80E+04 1.92E+04 8.39E+03 8.67E+04 2.24E+04 1.42E+04 5.78E+04 1.41E+04 2.15E+04 2.82E+04 4.11E+04 4.08E+04 1.18E+04 9.14E+04 1.79E+04 1.14E+04 1.43E+04 4.99E+04 1.07E+04 1.23E+04 1.09E+05 3.38E+04 2.85E+04 5.41E+04 6.39E+04 4.43E+04 2.99E+05 5.05E+04 8.90E+03 4.23E+04 1.08E+05 1.20E+04 Tetradecanoylcarnitine 1.41E+04 7.60E+03 8.65E+03 2.29E+04 3.19E+03 3.00E+03 1.69E+03 3.46E+03 5.13E+03 2.75E+04 5.49E+03 1.82E+03 5.30E+03 3.68E+03 2.27E+03 2.01E+04 1.68E+04 2.60E+03 6.74E+03 1.22E+04 1.93E+03 1.56E+04 1.88E+04 4.04E+04 5.61E+04 1.77E+04 1.23E+04 3.45E+03 1.64E+04 5.64E+03 3.65E+03 9.41E+03 4.64E+03 5.72E+03 5.29E+03 2.96E+03 3.48E+04 4.40E+03 3.89E+03 1.42E+04 6.61E+03 6.02E+03 1.11E+04 2.67E+04 1.93E+04 3.93E+03 2.06E+04 3.66E+03 1.82E+03 5.23E+03 1.49E+04 2.20E+03 5.06E+03 2.74E+04 1.46E+04 4.43E+04 2.62E+04 2.35E+04 1.96E+04 5.63E+04 1.58E+04 3.88E+03 2.19E+04 2.62E+04 1.92E+03 Hydroxytetradecenoylcarnitine 2.80E+03 1.69E+03 2.71E+03 6.03E+03 4.48E+02 1.14E+03 2.87E+02 7.28E+02 3.28E+02 4.25E+03 1.29E+03 1.14E+03 1.98E+03 3.27E+02 8.46E+03 2.92E+03 2.60E+04 6.07E+02 3.48E+03 2.05E+03 3.77E+02 3.06E+03 4.55E+03 8.46E+03 1.39E+04 3.08E+03 5.34E+03 8.08E+02 3.42E+03 2.77E+03 1.23E+03 2.77E+03 1.19E+03 1.57E+03 5.32E+02 4.59E+02 1.17E+04 2.73E+03 1.30E+03 1.13E+04 1.46E+03 1.44E+03 2.48E+03 4.05E+03 4.17E+03 1.01E+03 4.62E+03 9.78E+02 2.65E+03 1.60E+03 3.08E+03 0.00E+00 1.46E+03 1.49E+04 3.63E+03 2.00E+03 1.00E+04 1.24E+04 4.56E+03 3.43E+04 3.05E+03 1.05E+03 3.48E+03 9.99E+03 8.87E+02 Pentadecanoylcarnitine 7.86E+03 5.14E+02 2.15E+02 1.27E+04 0.00E+00 1.15E+03 7.10E+02 0.00E+00 0.00E+00 3.01E+03 4.02E+02 4.85E+02 4.20E+02 3.29E+02 5.98E+03 5.79E+03 7.35E+03 0.00E+00 4.00E+02 2.83E+03 0.00E+00 2.03E+03 3.20E+03 4.57E+03 5.63E+03 4.74E+03 1.05E+03 3.56E+02 2.95E+03 5.81E+02 2.11E+03 7.29E+02 7.43E+02 1.42E+03 0.00E+00 2.73E+03 3.36E+03 6.79E+02 6.81E+02 8.81E+03 3.24E+02 2.12E+03 1.35E+03 2.12E+03 6.99E+03 2.62E+02 1.92E+03 2.78E+02 0.00E+00 1.64E+03 2.39E+03 8.50E+02 3.14E+02 5.59E+03 1.12E+03 2.68E+03 4.08E+03 3.72E+03 9.70E+02 5.08E+03 2.76E+03 2.22E+02 1.70E+03 6.56E+03 2.76E+02 Hydroxytetradecanoyl carnitine 8.35E+02 2.17E+03 1.68E+03 4.85E+03 4.22E+02 1.17E+03 3.55E+02 2.97E+02 6.12E+02 6.29E+03 1.62E+03 3.19E+02 1.77E+03 5.69E+02 2.72E+02 3.47E+03 5.04E+03 2.97E+02 1.06E+03 1.87E+03 2.79E+02 2.94E+03 3.16E+03 1.85E+03 6.77E+03 4.08E+03 2.05E+03 2.83E+02 3.78E+03 1.51E+03 6.46E+02 3.31E+02 4.56E+02 5.74E+02 8.26E+02 2.39E+02 7.08E+03 1.53E+03 1.66E+03 4.38E+03 1.02E+03 4.85E+02 1.62E+03 6.76E+03 4.49E+03 8.76E+02 4.64E+03 1.22E+03 8.06E+02 1.05E+03 3.85E+03 3.72E+02 1.91E+03 1.05E+04 3.11E+03 2.95E+03 4.47E+03 6.26E+03 5.23E+03 6.09E+03 4.18E+03 4.97E+02 3.74E+03 4.64E+03 3.93E+02 Hexadecenoylcarnitine 3.04E+04 2.90E+04 3.05E+04 3.54E+04 4.42E+03 4.33E+03 1.41E+03 3.43E+03 5.08E+03 2.45E+04 5.10E+03 1.62E+03 5.08E+03 4.03E+03 2.81E+03 1.79E+04 1.24E+04 3.57E+03 8.76E+03 6.10E+03 3.38E+03 1.72E+04 1.57E+04 2.38E+04 4.18E+04 2.10E+04 1.02E+04 2.80E+03 1.25E+04 7.35E+03 4.10E+03 8.88E+03 2.68E+03 6.36E+03 4.56E+03 1.91E+03 2.54E+04 4.98E+03 2.93E+03 1.00E+04 5.15E+03 8.56E+03 7.15E+03 1.83E+04 1.67E+04 2.99E+03 1.66E+04 2.85E+03 2.67E+03 4.75E+03 1.86E+04 2.11E+03 2.67E+03 2.72E+04 1.92E+04 1.77E+04 2.29E+04 2.70E+04 1.38E+04 5.01E+04 1.22E+04 3.64E+03 1.70E+04 3.61E+04 3.21E+03 Palmitoylcarnitine 1.63E+04 6.61E+04 3.28E+04 2.50E+04 8.58E+04 1.21E+04 1.25E+04 5.78E+03 1.43E+04 2.18E+05 5.44E+05 4.15E+04 2.72E+04 6.88E+04 4.74E+04 3.00E+04 2.53E+05 1.63E+05 5.54E+04 1.59E+05 1.38E+05 7.44E+04 1.03E+06 4.19E+05 2.22E+05 1.29E+05 6.04E+05 1.38E+05 6.72E+05 3.68E+05 2.40E+04 3.83E+04 5.82E+04 4.94E+04 2.50E+04 1.11E+04 7.10E+03 1.13E+05 1.75E+04 3.03E+04 1.15E+05 3.52E+04 4.17E+04 1.62E+05 4.66E+05 3.07E+05 4.61E+04 1.34E+05 4.95E+04 4.73E+04 9.17E+04 3.48E+05 5.63E+04 7.18E+04 3.74E+05 4.35E+05 3.72E+05 6.09E+05 4.54E+05 5.32E+05 3.88E+05 3.33E+05 2.05E+05 4.39E+05 8.20E+04 Hydroxyhexadecenoylcarnitine 2.94E+02 0.00E+00 4.34E+02 1.24E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 2.05E+03 3.23E+02 0.00E+00 0.00E+00 0.00E+00 1.07E+03 1.39E+03 7.77E+02 0.00E+00 0.00E+00 9.96E+02 0.00E+00 9.27E+02 1.71E+03 1.05E+03 3.24E+03 1.41E+03 9.03E+02 2.19E+02 1.15E+03 3.70E+02 0.00E+00 2.96E+02 2.63E+02 2.51E+02 2.77E+02 0.00E+00 2.48E+03 3.01E+02 0.00E+00 7.83E+02 4.16E+02 0.00E+00 0.00E+00 2.97E+03 2.05E+03 2.39E+02 1.88E+03 0.00E+00 0.00E+00 3.41E+02 1.49E+03 0.00E+00 3.44E+02 2.95E+03 8.99E+02 1.39E+03 1.12E+03 2.02E+03 1.12E+03 6.28E+03 1.57E+03 2.43E+02 9.20E+02 1.81E+03 0.00E+00 Heptadecanoyl carnitine 4.34E+02 7.06E+02 3.80E+02 2.89E+02 3.94E+02 0.00E+00 0.00E+00 2.23E+02 0.00E+00 1.05E+03 1.60E+03 0.00E+00 0.00E+00 2.97E+02 2.89E+02 3.26E+02 8.12E+02 0.00E+00 2.99E+02 3.31E+02 0.00E+00 2.40E+02 2.32E+03 4.27E+02 2.82E+02 3.58E+02 5.86E+02 2.72E+02 8.02E+02 1.35E+03 0.00E+00 3.49E+02 0.00E+00 0.00E+00 2.29E+02 0.00E+00 2.76E+02 1.52E+03 2.50E+02 0.00E+00 6.20E+02 3.72E+02 2.66E+02 1.74E+03 2.42E+03 1.98E+03 0.00E+00 4.03E+02 0.00E+00 2.52E+02 2.63E+02 9.05E+02 0.00E+00 3.46E+02 5.06E+02 8.80E+02 4.01E+02 9.38E+02 2.39E+03 2.18E+03 4.55E+02 4.39E+03 4.20E+02 9.45E+02 0.00E+00 Hydroxyhexadecanoyl carnitine 2.79E+02 4.54E+02 0.00E+00 4.46E+02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 4.11E+02 2.35E+02 0.00E+00 2.75E+02 0.00E+00 0.00E+00 7.99E+02 8.00E+02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 2.45E+02 2.98E+02 4.61E+02 1.76E+03 1.01E+03 2.46E+02 0.00E+00 8.61E+02 2.36E+02 0.00E+00 0.00E+00 0.00E+00 2.66E+02 2.02E+02 0.00E+00 1.07E+03 0.00E+00 2.59E+02 4.00E+02 2.87E+02 0.00E+00 0.00E+00 1.24E+03 9.75E+02 0.00E+00 1.43E+03 0.00E+00 0.00E+00 0.00E+00 8.74E+02 2.01E+02 4.83E+02 2.58E+03 1.44E+03 9.57E+02 7.28E+02 1.10E+03 1.13E+03 3.48E+03 8.42E+02 2.52E+02 8.28E+02 6.12E+02 0.00E+00 Stearidonyl carnitine 0.00E+00 0.00E+00 0.00E+00 7.54E+02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1.83E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 4.41E+02 1.08E+03 0.00E+00 0.00E+00 3.78E+02 0.00E+00 0.00E+00 0.00E+00 1.73E+03 5.33E+02 5.16E+02 2.76E+02 0.00E+00 8.17E+02 0.00E+00 3.00E+02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 5.28E+02 0.00E+00 0.00E+00 1.44E+03 0.00E+00 2.95E+02 2.87E+02 5.48E+02 1.65E+03 0.00E+00 1.04E+03 0.00E+00 0.00E+00 2.61E+02 1.42E+03 0.00E+00 0.00E+00 1.48E+03 5.18E+02 3.68E+02 1.19E+03 9.87E+02 6.15E+02 2.69E+03 0.00E+00 0.00E+00 9.66E+02 1.36E+03 0.00E+00 Gamma-linolenyl carnitine 3.46E+03 1.21E+03 1.89E+03 8.74E+03 1.38E+03 1.16E+03 0.00E+00 3.23E+02 1.07E+03 1.05E+04 2.31E+03 3.39E+02 8.98E+02 8.39E+02 3.24E+02 4.61E+03 6.32E+03 0.00E+00 1.89E+03 1.09E+03 3.59E+02 2.76E+03 5.29E+03 1.24E+04 7.24E+03 2.03E+03 2.63E+03 5.48E+02 2.40E+03 2.06E+03 1.40E+03 1.12E+03 5.87E+02 1.58E+03 2.66E+02 5.77E+02 4.08E+03 2.29E+02 6.73E+02 4.74E+03 2.18E+03 1.48E+03 2.86E+03 1.19E+04 9.10E+03 2.61E+02 3.53E+03 2.32E+02 3.06E+02 2.72E+02 4.44E+03 0.00E+00 3.18E+02 6.52E+03 2.22E+03 5.45E+03 1.29E+04 1.02E+04 2.43E+03 1.30E+04 2.54E+03 3.58E+03 5.45E+03 2.35E+04 1.22E+03 Linoelaidyl carnitine 7.12E+04 4.22E+04 8.77E+04 5.23E+05 5.33E+04 5.90E+04 1.98E+04 4.69E+04 9.78E+04 2.04E+05 2.63E+04 1.03E+04 1.74E+04 2.76E+04 1.27E+04 9.16E+04 1.26E+05 6.70E+03 4.03E+04 3.62E+04 1.51E+04 6.64E+04 1.01E+05 2.38E+05 1.66E+05 4.98E+04 4.42E+04 3.82E+04 5.17E+04 3.33E+04 2.53E+04 2.94E+04 1.73E+04 2.17E+04 1.56E+04 5.01E+04 4.92E+05 2.59E+04 8.98E+04 4.59E+05 1.21E+05 1.63E+05 1.68E+05 2.51E+05 1.29E+05 1.17E+04 7.46E+04 1.34E+04 1.23E+04 1.16E+04 8.41E+04 6.20E+03 2.35E+04 1.32E+05 6.37E+04 8.92E+04 2.47E+05 1.34E+05 7.88E+04 1.84E+05 6.95E+04 4.02E+04 8.28E+04 3.98E+05 1.75E+04 Octadecenylcarnitine 3.67E+04 7.36E+04 4.13E+04 3.63E+04 1.80E+05 2.11E+04 1.77E+04 7.47E+03 1.54E+04 6.49E+04 1.52E+05 2.10E+04 1.06E+04 1.75E+04 1.87E+04 1.39E+04 8.82E+04 8.69E+04 2.48E+04 1.09E+05 7.92E+04 4.55E+04 2.87E+05 1.74E+05 7.50E+04 7.52E+04 3.16E+05 9.21E+04 5.42E+05 8.69E+05 1.19E+05 1.72E+05 5.66E+04 1.54E+05 2.83E+04 1.97E+04 1.52E+04 2.03E+05 2.39E+04 3.97E+04 1.51E+05 3.61E+04 6.71E+04 6.41E+04 1.79E+05 1.25E+05 1.93E+04 4.91E+04 2.25E+04 1.70E+04 2.93E+04 1.66E+05 2.25E+04 3.03E+04 1.85E+05 1.80E+05 2.80E+05 2.72E+05 2.85E+05 2.83E+05 3.35E+05 8.27E+05 1.06E+05 9.30E+05 7.49E+05 Stearoylcarnitine 1.49E+04 2.31E+04 1.02E+04 3.96E+03 9.54E+03 1.91E+03 2.75E+03 1.22E+03 1.20E+03 6.55E+03 1.70E+04 1.35E+03 5.28E+02 2.63E+03 2.20E+03 1.64E+03 9.90E+03 4.95E+03 8.93E+02 4.07E+03 4.89E+03 2.24E+03 3.02E+04 8.35E+03 5.39E+03 5.05E+03 1.43E+04 6.10E+03 1.20E+04 2.08E+04 3.85E+03 5.48E+03 1.68E+03 3.47E+03 2.87E+03 1.74E+03 1.57E+03 2.60E+04 3.46E+03 5.77E+03 9.09E+03 4.95E+03 4.97E+03 1.26E+04 2.05E+04 1.15E+04 1.45E+03 4.84E+03 2.01E+03 2.33E+03 2.42E+03 1.11E+04 1.19E+03 2.98E+03 1.41E+04 1.38E+04 1.04E+04 2.01E+04 1.38E+04 2.20E+04 8.97E+03 3.27E+04 2.71E+03 1.80E+04 2.68E+04 Hydroxyoctadecenoylcarnitine 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 4.07E+02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 8.55E+02 8.31E+02 2.38E+02 0.00E+00 0.00E+00 0.00E+00 4.03E+02 4.08E+02 3.79E+02 2.12E+03 5.04E+02 2.98E+02 0.00E+00 4.17E+02 0.00E+00 0.00E+00 0.00E+00 2.58E+02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1.85E+03 7.68E+02 0.00E+00 1.06E+03 0.00E+00 0.00E+00 0.00E+00 3.08E+02 0.00E+00 2.39E+02 2.71E+03 6.58E+02 6.51E+02 4.19E+02 1.17E+03 7.77E+02 2.94E+03 3.31E+02 0.00E+00 6.19E+02 9.67E+02 2.47E+02 Arachidyl carnitine 0.00E+00 0.00E+00 0.00E+00 5.65E+02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 3.08E+02 4.54E+02 7.42E+02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 2.49E+02 0.00E+00 2.84E+02 0.00E+00 3.47E+02 0.00E+00 0.00E+00 1.69E+03 1.05E+03 4.49E+02 8.86E+02 4.64E+02 3.43E+02 3.03E+02 1.49E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 2.69E+02 2.02E+03 0.00E+00 4.50E+02 6.54E+02 0.00E+00 6.71E+02 5.39E+02 8.95E+02 4.96E+02 5.15E+02 0.00E+00 2.57E+02 2.82E+02 0.00E+00 4.45E+02 0.00E+00 0.00E+00 3.66E+02 9.76E+02 3.12E+02 1.16E+03 0.00E+00 4.48E+02 3.31E+02 2.43E+02 3.94E+02 1.35E+03 Cervonyl carnitine 3.90E+03 1.69E+03 2.27E+03 4.07E+03 3.60E+02 6.48E+02 0.00E+00 5.76E+02 2.87E+02 3.88E+03 1.15E+03 2.96E+02 2.41E+02 2.55E+02 5.28E+02 4.99E+03 2.65E+03 1.10E+03 2.82E+02 1.75E+03 0.00E+00 6.61E+03 3.96E+03 8.79E+03 1.38E+04 1.69E+03 9.65E+02 5.13E+02 8.70E+03 8.00E+02 1.03E+03 1.11E+03 1.53E+03 9.32E+02 4.42E+02 9.47E+02 4.30E+03 1.14E+03 3.44E+02 1.12E+04 1.69E+03 3.14E+03 2.02E+03 7.42E+03 6.56E+03 6.57E+02 5.30E+03 1.28E+03 7.24E+02 1.60E+03 5.96E+03 2.67E+02 9.92E+02 5.58E+03 4.61E+03 2.41E+03 9.26E+03 5.54E+03 2.29E+03 2.33E+04 4.15E+03 5.03E+02 7.06E+03 1.12E+04 3.31E+02 Tetracosatetraenoyl carnitine 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1.70E+03 4.62E+02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 3.58E+03 1.72E+03 0.00E+00 0.00E+00 3.05E+03 7.71E+02 0.00E+00 2.55E+02 0.00E+00 0.00E+00 0.00E+00 3.18E+02 0.00E+00 2.56E+02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 5.46E+02 1.39E+03 0.00E+00 2.62E+02 0.00E+00 0.00E+00 0.00E+00 2.96E+02 0.00E+00 0.00E+00 6.46E+02 0.00E+00 3.69E+03 3.11E+02 3.46E+03 0.00E+00 0.00E+00 2.75E+03 0.00E+00 0.00E+00 0.00E+00 Arachidonyl carnitine 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 5.44E+02 3.50E+02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 6.56E+02 0.00E+00 0.00E+00 0.00E+00 1.08E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 3.46E+02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1.45E+03 0.00E+00 1.65E+03 0.00E+00 0.00E+00 3.03E+02 0.00E+00 0.00E+00 0.00E+00 Hexadecadienoylcarnitine 6.15E+03 2.41E+03 5.21E+03 1.42E+04 3.85E+02 1.43E+03 2.74E+02 1.94E+03 7.35E+02 7.49E+03 1.71E+03 7.78E+02 2.77E+03 2.55E+02 3.13E+02 6.54E+03 9.09E+03 1.07E+03 3.84E+03 4.73E+03 3.70E+02 4.58E+03 1.10E+04 1.28E+04 2.70E+04 2.82E+03 1.01E+04 2.19E+03 4.15E+03 4.37E+03 1.09E+03 1.32E+04 1.82E+03 2.59E+03 1.28E+03 1.12E+03 6.66E+03 1.18E+03 1.69E+03 4.11E+03 3.27E+03 2.50E+03 4.31E+03 1.50E+04 6.25E+03 5.28E+02 8.49E+03 3.45E+02 3.36E+02 1.06E+03 6.96E+03 2.92E+02 1.58E+03 1.18E+04 2.86E+03 5.32E+03 1.10E+04 1.03E+04 5.26E+03 4.50E+04 7.21E+03 1.23E+03 5.40E+03 1.38E+04 2.50E+03 Sphingosine 8.25E+03 4.93E+03 3.22E+03 9.41E+03 2.23E+03 2.53E+03 1.91E+03 2.58E+03 2.93E+03 3.24E+04 5.02E+03 2.33E+03 4.71E+03 3.16E+03 3.87E+03 1.86E+04 1.48E+04 1.45E+03 5.41E+03 7.68E+03 3.84E+03 1.48E+04 1.24E+04 1.76E+04 1.83E+04 2.10E+04 6.11E+03 3.67E+03 1.63E+04 5.29E+03 4.51E+03 2.32E+03 3.14E+03 3.30E+03 2.14E+03 1.77E+03 2.14E+04 3.35E+03 4.68E+03 1.93E+04 3.66E+03 5.42E+03 7.43E+03 2.81E+04 2.28E+04 4.52E+03 4.85E+04 3.59E+03 4.37E+03 5.28E+03 2.34E+04 4.07E+03 4.20E+03 3.53E+04 1.06E+04 2.13E+04 1.89E+04 1.73E+04 1.64E+04 2.47E+04 2.31E+04 3.73E+03 1.40E+04 2.90E+04 2.56E+03 Biliverdin 1.13E+04 7.14E+03 5.94E+03 2.13E+04 5.18E+03 3.20E+03 3.42E+03 3.39E+03 0.00E+00 1.03E+04 5.26E+03 1.75E+03 7.78E+03 9.82E+03 1.45E+03 5.29E+03 1.65E+04 9.50E+02 1.02E+04 1.01E+04 1.09E+04 1.53E+04 3.83E+04 5.76E+03 1.35E+04 1.76E+04 1.10E+04 7.79E+03 1.62E+04 9.52E+03 5.77E+03 3.70E+03 3.11E+03 1.37E+04 2.15E+03 1.01E+03 2.19E+04 5.34E+03 1.05E+04 7.13E+03 6.56E+03 7.06E+03 9.23E+03 4.92E+04 1.64E+03 5.26E+03 1.06E+04 4.98E+03 7.23E+02 2.34E+03 2.32E+04 1.78E+03 2.57E+03 7.17E+03 1.94E+04 1.31E+04 4.95E+04 4.26E+04 2.34E+04 1.81E+04 2.41E+04 4.03E+03 4.55E+04 3.99E+04 7.81E+03 Bilirubin 2.39E+05 1.13E+05 1.22E+05 5.00E+05 9.79E+04 9.52E+04 3.44E+04 5.15E+04 3.27E+04 2.16E+05 5.96E+04 2.78E+04 7.19E+04 1.47E+05 6.29E+03 9.32E+04 3.44E+05 2.10E+04 2.12E+05 1.64E+05 9.86E+04 2.52E+05 5.46E+05 1.27E+05 2.71E+05 3.41E+05 2.00E+05 1.43E+05 2.90E+05 8.46E+04 9.70E+04 2.35E+04 4.67E+04 1.21E+05 3.61E+04 4.49E+04 5.86E+05 3.77E+04 8.46E+04 1.07E+05 3.83E+03 2.58E+04 4.71E+04 6.22E+05 2.59E+04 5.34E+04 1.30E+05 3.50E+04 1.20E+04 6.34E+04 4.01E+05 4.24E+04 2.56E+04 1.34E+05 2.51E+05 2.21E+05 7.45E+05 2.44E+05 1.81E+05 2.46E+05 4.39E+05 8.38E+04 1.94E+05 6.21E+05 1.33E+05 trimethylamineoxide 5.24E+06 4.12E+06 3.37E+06 1.95E+07 1.60E+06 5.09E+06 1.68E+06 8.83E+05 1.06E+06 4.23E+06 5.94E+05 1.96E+06 1.08E+06 9.24E+05 1.29E+06 2.58E+07 5.99E+06 6.16E+05 1.86E+06 2.65E+06 1.24E+06 1.12E+07 1.42E+07 2.64E+06 8.28E+06 2.09E+07 7.09E+06 9.13E+06 1.86E+07 9.16E+05 4.41E+06 1.16E+06 1.53E+06 1.73E+06 1.63E+06 1.01E+07 1.01E+07 6.41E+06 1.99E+06 4.14E+07 1.79E+06 4.69E+06 3.00E+06 1.47E+07 1.29E+08 1.32E+06 6.53E+06 9.43E+05 8.14E+06 3.54E+07 2.62E+06 7.15E+05 2.02E+06 7.58E+07 8.91E+06 4.94E+06 8.55E+06 6.23E+06 4.46E+06 2.24E+07 1.10E+07 4.40E+06 3.78E+06 1.87E+07 1.46E+06 4-Imidazolone-5-propanoate 1.88E+05 7.23E+04 2.32E+05 1.59E+05 6.64E+04 1.39E+05 1.00E+05 8.74E+04 5.61E+04 1.33E+05 1.55E+05 1.58E+05 7.30E+04 7.22E+04 8.63E+04 1.44E+05 6.67E+04 6.73E+04 1.47E+05 1.46E+05 9.20E+04 8.08E+04 1.08E+05 7.11E+04 5.33E+04 1.64E+05 1.17E+05 1.96E+05 9.46E+04 9.29E+04 7.06E+04 1.25E+05 9.87E+04 2.11E+05 7.88E+04 1.81E+05 1.88E+05 6.91E+04 1.13E+05 7.68E+04 1.75E+05 1.69E+05 1.30E+05 7.97E+04 2.44E+05 8.47E+04 1.46E+05 8.57E+04 2.06E+05 1.52E+05 8.05E+04 1.03E+05 1.04E+05 1.17E+05 1.62E+05 1.13E+05 9.40E+04 2.77E+05 1.23E+05 2.11E+05 1.10E+05 8.90E+04 1.41E+05 6.41E+04 7.76E+04 phenyllactate (PLA) 6.21E+04 0.00E+00 0.00E+00 1.39E+05 0.00E+00 0.00E+00 0.00E+00 0.00E+00 3.19E+04 2.61E+05 0.00E+00 4.78E+04 0.00E+00 0.00E+00 0.00E+00 2.02E+05 1.64E+05 0.00E+00 0.00E+00 9.73E+04 0.00E+00 1.28E+05 1.52E+05 1.92E+05 1.74E+05 1.40E+05 6.45E+04 0.00E+00 1.56E+05 0.00E+00 2.89E+04 0.00E+00 2.33E+04 0.00E+00 0.00E+00 9.38E+04 2.43E+05 6.36E+04 5.39E+04 2.39E+05 0.00E+00 1.59E+05 4.60E+04 2.76E+05 1.65E+06 5.80E+04 2.10E+05 9.62E+04 1.22E+05 1.64E+05 3.95E+05 0.00E+00 5.77E+04 7.65E+05 4.24E+05 3.76E+05 3.05E+05 3.71E+05 0.00E+00 6.83E+05 2.47E+05 0.00E+00 2.45E+05 2.04E+05 0.00E+00 Theobromine 2.25E+06 6.45E+04 6.48E+06 8.98E+05 2.17E+06 1.09E+04 1.74E+06 7.62E+05 8.99E+06 2.10E+07 5.97E+04 4.36E+06 2.64E+05 1.30E+06 5.59E+04 1.59E+06 4.02E+06 9.32E+04 4.02E+06 5.60E+06 2.37E+04 3.14E+06 4.16E+05 1.06E+06 3.28E+04 2.49E+06 9.65E+06 2.34E+06 2.23E+06 1.80E+06 5.11E+05 2.15E+05 1.78E+05 5.37E+06 2.82E+06 9.85E+05 5.08E+06 3.50E+06 2.25E+06 9.13E+05 5.73E+06 9.29E+06 2.11E+07 6.92E+06 1.40E+06 1.22E+06 4.94E+06 1.11E+06 2.16E+06 7.76E+06 9.35E+04 5.61E+06 6.03E+06 4.66E+06 1.47E+06 1.01E+07 8.82E+05 3.19E+06 1.32E+07 7.04E+06 5.17E+06 3.45E+06 2.87E+06 7.95E+05 2.65E+05 1-Methylxanthine 1.70E+04 3.09E+03 8.81E+04 1.39E+04 7.57E+04 3.18E+03 5.93E+04 2.55E+04 1.49E+05 1.26E+05 5.34E+03 1.03E+05 1.26E+04 5.94E+04 7.35E+03 7.81E+03 1.36E+04 3.24E+03 1.87E+05 5.79E+04 4.76E+03 3.79E+04 7.83E+03 2.25E+04 3.07E+03 2.04E+04 5.29E+05 1.14E+05 0.00E+00 6.11E+04 1.43E+04 3.50E+04 8.57E+03 6.95E+04 5.18E+04 6.87E+04 7.11E+04 1.39E+05 7.09E+04 8.24E+03 1.88E+05 4.50E+05 2.71E+05 3.33E+04 3.19E+04 5.01E+04 2.67E+04 4.38E+04 1.02E+05 3.31E+05 2.95E+03 7.98E+04 1.75E+05 3.37E+04 3.69E+04 9.22E+03 1.12E+04 3.17E+04 9.60E+04 1.37E+04 2.51E+04 1.27E+05 4.18E+04 2.07E+04 2.00E+04 Caffeine 1.20E+06 8.19E+04 4.55E+06 4.32E+05 2.03E+06 3.22E+04 2.10E+06 8.13E+05 8.10E+06 1.61E+07 5.78E+04 2.92E+06 1.61E+05 8.60E+05 5.85E+04 2.13E+06 1.77E+07 8.75E+04 5.20E+06 9.26E+06 5.10E+04 1.33E+06 3.42E+05 3.65E+05 1.57E+05 1.61E+06 7.68E+06 1.17E+06 1.43E+06 2.18E+06 2.98E+05 1.61E+05 1.40E+05 1.63E+07 1.86E+06 3.57E+05 3.90E+06 1.51E+06 2.46E+06 6.99E+05 6.83E+06 4.82E+06 2.18E+07 6.65E+06 8.78E+05 5.07E+05 2.92E+06 8.62E+05 1.57E+06 4.50E+06 1.19E+05 4.85E+06 4.27E+06 2.74E+06 3.04E+06 3.97E+07 3.56E+05 2.53E+06 2.60E+07 1.02E+07 3.45E+06 2.02E+06 5.60E+06 3.90E+05 9.60E+04 Riboflavin 1.25E+04 5.70E+04 8.82E+04 0.00E+00 1.91E+04 2.76E+04 3.77E+04 2.64E+04 1.82E+04 5.75E+04 1.23E+04 2.41E+04 6.22E+04 2.43E+04 8.87E+03 0.00E+00 0.00E+00 7.30E+04 2.44E+04 9.73E+04 3.00E+04 0.00E+00 2.95E+04 0.00E+00 0.00E+00 1.45E+05 3.64E+04 4.30E+04 1.20E+05 1.39E+04 4.04E+04 1.21E+04 1.57E+05 3.09E+04 3.32E+04 1.48E+04 6.30E+05 6.93E+04 7.25E+04 2.91E+04 1.99E+04 4.52E+04 8.10E+04 3.76E+04 2.00E+05 7.74E+04 2.70E+04 2.34E+04 0.00E+00 3.80E+04 0.00E+00 0.00E+00 0.00E+00 5.83E+04 0.00E+00 4.52E+04 0.00E+00 2.75E+05 3.44E+05 2.01E+04 1.37E+05 0.00E+00 2.47E+05 9.49E+04 2.75E+04 N-Acetyl-L-glutamate 1.31E+05 8.78E+04 1.24E+05 2.26E+05 4.79E+04 4.25E+04 5.81E+04 5.40E+04 4.30E+04 2.42E+05 5.92E+04 3.85E+04 5.54E+04 5.75E+04 6.83E+04 3.06E+05 1.27E+05 8.25E+04 1.56E+05 9.28E+04 1.03E+05 1.51E+05 2.88E+05 1.77E+05 2.87E+05 2.30E+05 8.04E+04 5.87E+04 1.66E+05 5.35E+04 8.33E+04 2.63E+05 1.48E+05 8.45E+04 1.04E+05 9.29E+04 1.41E+05 1.05E+05 1.19E+05 1.51E+05 5.85E+04 4.68E+04 7.98E+04 1.23E+05 1.70E+05 6.09E+04 9.64E+04 8.80E+04 1.01E+05 7.30E+04 1.33E+05 8.14E+04 1.01E+05 1.80E+05 2.70E+05 1.76E+05 2.32E+05 2.11E+05 1.90E+05 1.10E+05 2.57E+05 3.16E+04 1.03E+05 2.71E+05 7.18E+04 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG_HMDB M.z Rt L-alanine C00041 90.05494 0.6894616 L-arginine C00062 175.1191 0.6580484 L-asparagine C00152 133.0607 0.7001029 L-aspartate C00049 134.0449 0.720399 L-cysteine C00097 122.0272 0.700775 L-glutamate C00025 148.0605 0.6970667 L-glutamine C00064 147.0763 0.6961851 glycine C00037 76.03933 0.696449 L-histidine C00135 156.0768 0.6356379 L-leucine C00123 132.1018 0.8234196 L-lysine C00047 147.1131 0.6248515 L-methionine C00073 150.0585 0.7169002 L-phenylalanine C00079 166.0862 1.199372 L-proline C00148 116.0705 0.6992943 L-serine C00065 106.0498 0.6937205 L-threonine C00188 120.0655 0.6944706 L-tryptophan C00078 205.0974 1.719916 L-tyrosine C00082 182.0814 0.7346248 L-valine C00183 118.0861 0.7127898 L-cystine C00491 241.0303 0.7055169 Adenosine C00212 268.1035 0.9056617 Adenine C00147 136.0618 0.7338234 Hypoxanthine C00262 137.0458 0.7833512 Xanthine C00385 153.0405 0.6190669 Allantoate C00499 177.0609 0.6403657 5-Hydroxyisourate C11821 185.0312 0.6856924 Nicotimide C00153 123.0554 0.8470407 Phosphate C00009 98.98428 0.779631 5-Oxoproline C01879 130.0499 0.6969548 L-Homocysteine C00155 136.0429 0.7192472 Dimethylglycine C01026 104.0705 0.6982512 Ornithine C01602 133.0971 0.6242961 L-Citrulline C00327 176.1031 0.6906725 Spermidine C00315 146.1652 0.6258916 Spermine C00750 203.2229 0.6201852 D-Glucosamine C00329 180.0867 0.7573672 Asymmetric dimethyl arginine C03626 203.1503 0.6829484 Carnosine C00386 227.1147 0.6579108 5-Guanidino-2-oxopentanoate C03771 174.0873 0.7417704 Phosphocreatine C02305 212.0429 0.7662995 Creatine C00300 132.0769 0.6926473 Creatinine C00791 114.0663 0.6903187 4-Acetamidobutanoate C02946 146.0813 0.7017526 N-Acetyl-L-ornithine C00437 175.1077 0.7053686 trans-4-Hydroxy-L-proline C01157 132.0656 0.6941764 L-1-Pyrroline-3-hydroxy-5-carboxylate C04281 130.0499 0.9006798 Taurine C00245 126.0222 0.7199693 Hypotaurine C00519 110.027 0.7045771 3-Sulfino-L-alanine C00606 154.0175 0.7070231 L-Cysteate C00506 170.0123 0.6037756 L-Methionine S-oxide C02989 166.0533 0.8591872 5-Hydroxyindoleacetate C05635 192.0656 1.261607 3-Methyldioxyindole C05834 164.0704 1.762277 Indole C00463 118.0652 1.723582 Indole-3-acetate C00954 176.0704 1.868166 Indoxyl C05658 134.0602 1.823513 L-Tryptophamide C00977 204.114 1.739771 Kynurenine C00328 209.0918 1.247485 Kynurenic acid C01717 190.0501 1.780446 Anthranilate C00108 138.0549 0.7075785 g-Oxalo-crotote C03453 159.0279 0.7252541 2-Aminomucote C00322 161.0438 0.7095807 8-Methoxykynurete C05830 220.0605 1.810785 Serotonin C00780 177.1021 0.9905966 Diethanolamine C06772 106.0862 0.689442 Triethanolamine C06771 150.1126 0.6798533 Phosphodimethyl-ethanolamine C13482 170.0577 0.6978632 Acetylcarnitine HMDB0000201 204.123 0.7091627 Propionylcarnitine HMDB0000824 218.1387 0.8079266 Butyrylcarnitine HMDB0002013 232.1542 1.558154 Tiglylcarnitine HMDB02366 244.1543 1.752271 Valerylcarnitine HMDB0013128 246.1699 1.745132 Hexenoylcarnitine HMDB0013161 258.1699 1.77574 Hexanoylcarnitine HMDB0000705 260.1854 1.781802 Methylmalonylcarnitine HMDB0013133 262.1283 0.7564021 Octenoylcarnitine HMDB0013324 286.2011 1.818865 Octanoylcarnitine HMDB0000791 288.2166 1.86391 Dimethylheptanoyl carnitine HMDB0006320 302.2325 1.889744 Pimelylcarnitine HMDB0013328 304.1746 1.74492 Hydroxyoctanoyl carnitine HMDB0061634 304.2118 1.777047 Decanoylcarnitine HMDB0000651 316.2485 1.986911 Dimethylnonoyl carnitine HMDB0006202 330.2642 2.016355 Hydroxydecanoyl carnitine HMDB0061636 332.2428 1.852122 Dodecenoylcarnitine HMDB0013326 342.2643 2.156984 Dodecanoylcarnitine HMDB0002250 344.28 2.544364 Hydroxyundecanoyl carnitine HMDB0061637 346.2582 1.867206 Hydroxydodecanoyl carnitine HMDB0061638 360.2739 1.965731 Tetradecenoylcarnitine HMDB0062588 370.2957 2.781676 Tetradecanoylcarnitine HMDB0005066 372.3113 3.246308 Hydroxytetradecenoylcarnitine HMDB0013330 386.2898 2.087305 Pentadecanoylcarnitine HMDB0062517 386.3267 3.478756 Hydroxytetradecanoyl carnitine HMDB0061640 388.3056 2.516538 Hexadecenoylcarnitine HMDB0013207 398.3271 3.44066 Palmitoylcarnitine HMDB0000222 400.3421 2.203361 Hydroxyhexadecenoylcarnitine HMDB0013333 414.3214 2.721848 Heptadecanoyl carnitine HMDB0006210 414.3578 2.470115 Hydroxyhexadecanoyl carnitine HMDB0061642 416.3371 3.22541 Stearidonyl carnitine HMDB0006463 420.3109 2.757905 Gamma-linolenyl carnitine HMDB0006318 422.3271 3.072593 Linoelaidyl carnitine HMDB0006461 424.3426 3.586252 Octadecenylcarnitine HMDB0013338 426.3582 2.061977 Stearoylcarnitine HMDB0000848 428.374 3.102711 Hydroxyoctadecenoylcarnitine HMDB0013339 442.3532 3.381475 Arachidyl carnitine HMDB0006460 456.4047 2.846769 Cervonyl carnitine HMDB0006510 472.3426 3.247421 Tetracosatetraenoyl carnitine HMDB0060158 504.4044 2.440003 Arachidonyl carnitine HMDB0006455 505.4085 2.4385 Hexadecadienoylcarnitine HMDB0013334 396.3114 2.908078 Sphingosine C00319 300.2894 2.66913 Biliverdin C00500 583.2548 1.996499 Bilirubin C00486 585.2704 1.929518 trimethylamineoxide C01104 76.07578 0.6910763 4-Imidazolone-5-propanoate C03680 157.0607 0.6987821 phenyllactate (PLA) C05607 167.0703 1.906482 Theobromine C07480 181.0722 1.720218 1-Methylxanthine C16358 167.0563 1.120161 Caffeine C07481 195.0879 1.762733 Riboflavin C00255 377.1426 1.740249 N-Acetyl-L-glutamate C00624 190.0716 1.854342 METABOLITES_END #END