#METABOLOMICS WORKBENCH milansavani_20220714_092133 DATATRACK_ID:3339 STUDY_ID:ST002231 ANALYSIS_ID:AN003640 PROJECT_ID:PR001421 VERSION 1 CREATED_ON July 15, 2022, 9:41 am #PROJECT PR:PROJECT_TITLE De Novo Pyrimidine Synthesis is a Targetable Vulnerability in IDH Mutant Glioma PR:PROJECT_TYPE LC-MS Quantitative Analysis PR:PROJECT_SUMMARY Mutations affecting isocitrate dehydrogenase (IDH) enzymes are prevalent in PR:PROJECT_SUMMARY glioma, leukemia, and other cancers. Although mutant IDH inhibitors are PR:PROJECT_SUMMARY effective against leukemia, they appear less active in aggressive glioma, PR:PROJECT_SUMMARY underscoring the need for alternative treatment strategies. Through a chemical PR:PROJECT_SUMMARY synthetic lethality screen, we discovered that IDH1 mutant glioma cells are PR:PROJECT_SUMMARY hypersensitive to drugs targeting enzymes in the de novo pyrimidine nucleotide PR:PROJECT_SUMMARY synthesis pathway, including dihydroorotate dehydrogenase (DHODH). We developed PR:PROJECT_SUMMARY a genetically engineered mouse model of mutant IDH1-driven astrocytoma and used PR:PROJECT_SUMMARY it and multiple patient-derived models to show that the brain-penetrant DHODH PR:PROJECT_SUMMARY inhibitor BAY 2402234 displays monotherapy efficacy against IDH mutant gliomas. PR:PROJECT_SUMMARY Mechanistically, this reflects an obligate dependence of glioma cells on the de PR:PROJECT_SUMMARY novo pyrimidine synthesis pathway and mutant IDH’s ability to sensitize to DNA PR:PROJECT_SUMMARY damage upon nucleotide pool imbalance. Our work outlines a tumor-selective, PR:PROJECT_SUMMARY biomarker-guided therapeutic strategy that is poised for clinical translation. PR:INSTITUTE UT Southwestern Medical Center PR:DEPARTMENT Children's Research Institute PR:LABORATORY McBrayer Laboratory PR:LAST_NAME McBrayer PR:FIRST_NAME Samuel PR:ADDRESS 6000 Harry Hines Boulevard, NL11.110K, Dallas, Texas, 75235, USA PR:EMAIL samuel.mcbrayer@utsouthwestern.edu PR:PHONE (214)-648-3730 #STUDY ST:STUDY_TITLE Metabolomics Analysis of HOG-EV and HOG-R132H Cells with and without BAY 2402234 ST:STUDY_TITLE Treatment ST:STUDY_TYPE Metabolomics Analysis ST:STUDY_SUMMARY HOG cells were plated in 6-well plates (0.5 × 10^6 cells per well). 24 hours ST:STUDY_SUMMARY later, HOG-EV or HOG-R132H cells were treated for 24 hours with 10 nM BAY ST:STUDY_SUMMARY 2402234 or DMSO. Cells were then harvested for LC-MS analysis. ST:INSTITUTE UT Southwestern Medical Center ST:DEPARTMENT Children's Research Institute ST:LABORATORY McBrayer Laboratory ST:LAST_NAME McBrayer ST:FIRST_NAME Samuel ST:ADDRESS 6000 Harry Hines Boulevard, NL10.110K, Dallas, TX 75235, USA ST:EMAIL samuel.mcbrayer@utsouthwestern.edu ST:PHONE (214)-648-3730 ST:NUM_GROUPS 4 ST:TOTAL_SUBJECTS 1 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENOTYPE_STRAIN HOG SU:GENDER Male SU:CELL_STRAIN_DETAILS Human oligodendroglioma cell line SU:CELL_COUNTS 500,000 #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 N/A Blank Genotype:N/A | Treatment:N/A Replicate=N/A; Polarity=Positive; RAW_FILE_NAME=Blank01.raw SUBJECT_SAMPLE_FACTORS HOG ML-01_Negative Genotype:HOG EV | Treatment:DMSO Replicate=A1; Polarity=Negative; RAW_FILE_NAME=ML_01_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-01_Positive Genotype:HOG EV | Treatment:DMSO Replicate=A1; Polarity=Positive; RAW_FILE_NAME=ML_01_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-02_Negative Genotype:HOG EV | Treatment:DMSO Replicate=A2; Polarity=Negative; RAW_FILE_NAME=ML_02_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-02_Positive Genotype:HOG EV | Treatment:DMSO Replicate=A2; Polarity=Positive; RAW_FILE_NAME=ML_02_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-03_Negative Genotype:HOG EV | Treatment:BAY2402234 Replicate=A1; Polarity=Negative; RAW_FILE_NAME=ML_03_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-03_Positive Genotype:HOG EV | Treatment:BAY2402234 Replicate=A1; Polarity=Positive; RAW_FILE_NAME=ML_03_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-04_Negative Genotype:HOG EV | Treatment:BAY2402234 Replicate=A2; Polarity=Negative; RAW_FILE_NAME=ML_04_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-04_Positive Genotype:HOG EV | Treatment:BAY2402234 Replicate=A2; Polarity=Positive; RAW_FILE_NAME=ML_04_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-05_Negative Genotype:HOG R132H | Treatment:DMSO Replicate=A1; Polarity=Negative; RAW_FILE_NAME=ML_05_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-05_Positive Genotype:HOG R132H | Treatment:DMSO Replicate=A1; Polarity=Positive; RAW_FILE_NAME=ML_05_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-06_Negative Genotype:HOG R132H | Treatment:DMSO Replicate=A2; Polarity=Negative; RAW_FILE_NAME=ML_06_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-06_Positive Genotype:HOG R132H | Treatment:DMSO Replicate=A2; Polarity=Positive; RAW_FILE_NAME=ML_06_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-07_Negative Genotype:HOG R132H | Treatment:BAY2402234 Replicate=A1; Polarity=Negative; RAW_FILE_NAME=ML_07_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-07_Positive Genotype:HOG R132H | Treatment:BAY2402234 Replicate=A1; Polarity=Positive; RAW_FILE_NAME=ML_07_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-08_Negative Genotype:HOG R132H | Treatment:BAY2402234 Replicate=A2; Polarity=Negative; RAW_FILE_NAME=ML_08_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-08_Positive Genotype:HOG R132H | Treatment:BAY2402234 Replicate=A2; Polarity=Positive; RAW_FILE_NAME=ML_08_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-09_Negative Genotype:HOG EV | Treatment:DMSO Replicate=B1; Polarity=Negative; RAW_FILE_NAME=ML_09_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-09_Positive Genotype:HOG EV | Treatment:DMSO Replicate=B1; Polarity=Positive; RAW_FILE_NAME=ML_09_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-10_Negative Genotype:HOG EV | Treatment:DMSO Replicate=B2; Polarity=Negative; RAW_FILE_NAME=ML_10_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-10_Positive Genotype:HOG EV | Treatment:DMSO Replicate=B2; Polarity=Positive; RAW_FILE_NAME=ML_10_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-11_Negative Genotype:HOG EV | Treatment:BAY2402234 Replicate=B1; Polarity=Negative; RAW_FILE_NAME=ML_11_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-11_Positive Genotype:HOG EV | Treatment:BAY2402234 Replicate=B1; Polarity=Positive; RAW_FILE_NAME=ML_11_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-12_Negative Genotype:HOG EV | Treatment:BAY2402234 Replicate=B2; Polarity=Negative; RAW_FILE_NAME=ML_12_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-12_Positive Genotype:HOG EV | Treatment:BAY2402234 Replicate=B2; Polarity=Positive; RAW_FILE_NAME=ML_12_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-13_Negative Genotype:HOG R132H | Treatment:DMSO Replicate=B1; Polarity=Negative; RAW_FILE_NAME=ML_13_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-13_Positive Genotype:HOG R132H | Treatment:DMSO Replicate=B1; Polarity=Positive; RAW_FILE_NAME=ML_13_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-14_Negative Genotype:HOG R132H | Treatment:DMSO Replicate=B2; Polarity=Negative; RAW_FILE_NAME=ML_14_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-14_Positive Genotype:HOG R132H | Treatment:DMSO Replicate=B2; Polarity=Positive; RAW_FILE_NAME=ML_14_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-15_Negative Genotype:HOG R132H | Treatment:BAY2402234 Replicate=B1; Polarity=Negative; RAW_FILE_NAME=ML_15_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-15_Positive Genotype:HOG R132H | Treatment:BAY2402234 Replicate=B1; Polarity=Positive; RAW_FILE_NAME=ML_15_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-16_Negative Genotype:HOG R132H | Treatment:BAY2402234 Replicate=B2; Polarity=Negative; RAW_FILE_NAME=ML_16_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-16_Positive Genotype:HOG R132H | Treatment:BAY2402234 Replicate=B2; Polarity=Positive; RAW_FILE_NAME=ML_16_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-17_Negative Genotype:HOG EV | Treatment:DMSO Replicate=C1; Polarity=Negative; RAW_FILE_NAME=ML_17_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-17_Positive Genotype:HOG EV | Treatment:DMSO Replicate=C1; Polarity=Positive; RAW_FILE_NAME=ML_17_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-18_Negative Genotype:HOG EV | Treatment:DMSO Replicate=C2; Polarity=Negative; RAW_FILE_NAME=ML_18_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-18_Positive Genotype:HOG EV | Treatment:DMSO Replicate=C2; Polarity=Positive; RAW_FILE_NAME=ML_18_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-19_Negative Genotype:HOG EV | Treatment:BAY2402234 Replicate=C1; Polarity=Negative; RAW_FILE_NAME=ML_19_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-19_Positive Genotype:HOG EV | Treatment:BAY2402234 Replicate=C1; Polarity=Positive; RAW_FILE_NAME=ML_19_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-20_Negative Genotype:HOG EV | Treatment:BAY2402234 Replicate=C2; Polarity=Negative; RAW_FILE_NAME=ML_20_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-20_Positive Genotype:HOG EV | Treatment:BAY2402234 Replicate=C2; Polarity=Positive; RAW_FILE_NAME=ML_20_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-21_Negative Genotype:HOG R132H | Treatment:DMSO Replicate=C1; Polarity=Negative; RAW_FILE_NAME=ML_21_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-21_Positive Genotype:HOG R132H | Treatment:DMSO Replicate=C1; Polarity=Positive; RAW_FILE_NAME=ML_21_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-22_Negative Genotype:HOG R132H | Treatment:DMSO Replicate=C2; Polarity=Negative; RAW_FILE_NAME=ML_22_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-22_Positive Genotype:HOG R132H | Treatment:DMSO Replicate=C2; Polarity=Positive; RAW_FILE_NAME=ML_22_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-23_Negative Genotype:HOG R132H | Treatment:BAY2402234 Replicate=C1; Polarity=Negative; RAW_FILE_NAME=ML_23_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-23_Positive Genotype:HOG R132H | Treatment:BAY2402234 Replicate=C1; Polarity=Positive; RAW_FILE_NAME=ML_23_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-24_Negative Genotype:HOG R132H | Treatment:BAY2402234 Replicate=C2; Polarity=Negative; RAW_FILE_NAME=ML_24_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-24_Positive Genotype:HOG R132H | Treatment:BAY2402234 Replicate=C2; Polarity=Positive; RAW_FILE_NAME=ML_24_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-25_Negative Genotype:HOG EV | Treatment:DMSO Replicate=D1; Polarity=Negative; RAW_FILE_NAME=ML_25_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-25_Positive Genotype:HOG EV | Treatment:DMSO Replicate=D1; Polarity=Positive; RAW_FILE_NAME=ML_25_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-26_Negative Genotype:HOG EV | Treatment:DMSO Replicate=D2; Polarity=Negative; RAW_FILE_NAME=ML_26_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-26_Positive Genotype:HOG EV | Treatment:DMSO Replicate=D2; Polarity=Positive; RAW_FILE_NAME=ML_26_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-27_Negative Genotype:HOG EV | Treatment:BAY2402234 Replicate=D1; Polarity=Negative; RAW_FILE_NAME=ML_27_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-27_Positive Genotype:HOG EV | Treatment:BAY2402234 Replicate=D1; Polarity=Positive; RAW_FILE_NAME=ML_27_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-28_Negative Genotype:HOG EV | Treatment:BAY2402234 Replicate=D2; Polarity=Negative; RAW_FILE_NAME=ML_28_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-28_Positive Genotype:HOG EV | Treatment:BAY2402234 Replicate=D2; Polarity=Positive; RAW_FILE_NAME=ML_28_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-29_Negative Genotype:HOG R132H | Treatment:DMSO Replicate=D1; Polarity=Negative; RAW_FILE_NAME=ML_29_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-29_Positive Genotype:HOG R132H | Treatment:DMSO Replicate=D1; Polarity=Positive; RAW_FILE_NAME=ML_29_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-30_Negative Genotype:HOG R132H | Treatment:DMSO Replicate=D2; Polarity=Negative; RAW_FILE_NAME=ML_30_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-30_Positive Genotype:HOG R132H | Treatment:DMSO Replicate=D2; Polarity=Positive; RAW_FILE_NAME=ML_30_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-31_Negative Genotype:HOG R132H | Treatment:BAY2402234 Replicate=D1; Polarity=Negative; RAW_FILE_NAME=ML_31_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-31_Positive Genotype:HOG R132H | Treatment:BAY2402234 Replicate=D1; Polarity=Positive; RAW_FILE_NAME=ML_31_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-32_Negative Genotype:HOG R132H | Treatment:BAY2402234 Replicate=D2; Polarity=Negative; RAW_FILE_NAME=ML_32_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-32_Positive Genotype:HOG R132H | Treatment:BAY2402234 Replicate=D2; Polarity=Positive; RAW_FILE_NAME=ML_32_pos.raw SUBJECT_SAMPLE_FACTORS HOG ML-33_Negative Genotype:Pooled Sample | Treatment:N/A Replicate=N/A; Polarity=Negative; RAW_FILE_NAME=ML_33_neg.raw SUBJECT_SAMPLE_FACTORS HOG ML-33_Positive Genotype:Pooled Sample | Treatment:N/A Replicate=N/A; Polarity=Positive; RAW_FILE_NAME=ML_33_pos.raw #COLLECTION CO:COLLECTION_SUMMARY Cells were washed with ice-cold saline and snap frozen in liquid nitrogen. CO:SAMPLE_TYPE Cultured cells #TREATMENT TR:TREATMENT_SUMMARY 24 hours after plating, HOG-EV or HOG-R132H cells were treated for 24 hours with TR:TREATMENT_SUMMARY 10 nM BAY 2402234 or DMSO. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolites were extracted in 80% methanol, vortexed for 20 min at 4°C, and SP:SAMPLEPREP_SUMMARY centrifuged (21,100 × g for 10 min at 4°C). Metabolite samples were dried SP:SAMPLEPREP_SUMMARY using a CentriVap (Labconco) or SpeedVac (Thermo Fisher) concentrator. Dried SP:SAMPLEPREP_SUMMARY metabolites were resuspended in 40-50 µL 80% acetonitrile, vortexed for 20 min SP:SAMPLEPREP_SUMMARY at 4°C, and centrifuged (21,100 × g for 10 min at 4°C). 10 µL was injected SP:SAMPLEPREP_SUMMARY and analyzed with a Q-Exactive HF-X hybrid quadrupole-orbitrap mass spectrometer SP:SAMPLEPREP_SUMMARY (Thermo Fisher) coupled to a Vanquish Flex UHPLC system (Thermo Fisher). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Chromatographic resolution of metabolites was achieved using on a Millipore CH:CHROMATOGRAPHY_SUMMARY ZIC-pHILIC column using a linear gradient of 10 mM ammonium formate pH 9.8 and CH:CHROMATOGRAPHY_SUMMARY acetonitrile. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Vanquish Flex UHPLC CH:COLUMN_NAME Millipore ZIC-pHILIC #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME McBrayer Laboratory #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF-X Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Spectra were acquired with a resolving power of 60,000 full width at half MS:MS_COMMENTS maximum (FWHM), a scan range set to 80–1,200 m/z, and polarity switching. MS:MS_COMMENTS Data-dependent MS/MS data was acquired on unlabeled pooled samples to confirm MS:MS_COMMENTS metabolite IDs when necessary. Peaks were integrated using El-Maven 0.12.0 MS:MS_COMMENTS software (Elucidata) or TraceFinder 5.1 SP2 software (Thermo Fisher). Total ion MS:MS_COMMENTS counts were quantified using Freestyle 1.7 SP1 software (Thermo Fisher). Peaks MS:MS_COMMENTS were normalized to total ion counts using the R statistical programming MS:MS_COMMENTS language. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS TIC-Corrected Peak Area MS_METABOLITE_DATA_START Samples ML-01_Positive ML-02_Positive ML-03_Positive ML-04_Positive ML-05_Positive ML-06_Positive ML-07_Positive ML-08_Positive ML-09_Positive ML-10_Positive ML-11_Positive ML-12_Positive ML-13_Positive ML-14_Positive ML-15_Positive ML-16_Positive ML-17_Positive ML-18_Positive ML-19_Positive ML-20_Positive ML-21_Positive ML-22_Positive ML-23_Positive ML-24_Positive ML-25_Positive ML-26_Positive ML-27_Positive ML-28_Positive ML-29_Positive ML-30_Positive ML-31_Positive ML-32_Positive ML-33_Positive Factors Genotype:HOG EV | Treatment:DMSO Genotype:HOG EV | Treatment:DMSO Genotype:HOG EV | Treatment:BAY2402234 Genotype:HOG EV | Treatment:BAY2402234 Genotype:HOG R132H | Treatment:DMSO Genotype:HOG R132H | Treatment:DMSO Genotype:HOG R132H | Treatment:BAY2402234 Genotype:HOG R132H | Treatment:BAY2402234 Genotype:HOG EV | Treatment:DMSO Genotype:HOG EV | Treatment:DMSO Genotype:HOG EV | Treatment:BAY2402234 Genotype:HOG EV | Treatment:BAY2402234 Genotype:HOG R132H | Treatment:DMSO Genotype:HOG R132H | Treatment:DMSO Genotype:HOG R132H | Treatment:BAY2402234 Genotype:HOG R132H | Treatment:BAY2402234 Genotype:HOG EV | Treatment:DMSO Genotype:HOG EV | Treatment:DMSO Genotype:HOG EV | Treatment:BAY2402234 Genotype:HOG EV | Treatment:BAY2402234 Genotype:HOG R132H | Treatment:DMSO Genotype:HOG R132H | Treatment:DMSO Genotype:HOG R132H | Treatment:BAY2402234 Genotype:HOG R132H | Treatment:BAY2402234 Genotype:HOG EV | Treatment:DMSO Genotype:HOG EV | Treatment:DMSO Genotype:HOG EV | Treatment:BAY2402234 Genotype:HOG EV | Treatment:BAY2402234 Genotype:HOG R132H | Treatment:DMSO Genotype:HOG R132H | Treatment:DMSO Genotype:HOG R132H | Treatment:BAY2402234 Genotype:HOG R132H | Treatment:BAY2402234 Genotype:Pooled Sample | Treatment:N/A 1-Aminocyclopropanecarboxylate 6.61E+08 5.91E+08 4.63E+08 5.51E+08 6.87E+08 6.93E+08 5.96E+08 5.92E+08 5.53E+08 6.80E+08 5.57E+08 5.95E+08 7.11E+08 6.45E+08 5.69E+08 6.22E+08 5.81E+08 6.17E+08 6.59E+08 5.63E+08 6.93E+08 6.54E+08 6.58E+08 6.72E+08 6.02E+08 5.06E+08 6.14E+08 5.63E+08 6.45E+08 6.45E+08 7.96E+08 6.69E+08 5.67E+08 1-Methyladenosine 2.90E+06 6.05E+06 4.61E+05 2.90E+06 3.00E+06 2.30E+06 2.91E+06 3.19E+06 2.29E+06 2.94E+06 3.08E+06 3.53E+06 2.77E+06 2.55E+06 2.97E+06 3.43E+06 3.16E+06 3.58E+06 2.96E+06 2.48E+06 2.16E+06 2.78E+06 4.18E+06 4.06E+06 2.47E+06 1.86E+06 3.70E+06 2.76E+06 2.88E+06 2.84E+06 3.75E+06 2.52E+06 2.65E+06 1-Methylhistidine 1.02E+09 1.21E+09 4.57E+08 9.70E+08 1.50E+09 1.26E+09 9.92E+08 1.20E+09 1.05E+09 1.24E+09 9.59E+08 1.26E+09 1.40E+09 1.09E+09 7.61E+08 1.08E+09 1.00E+09 1.23E+09 1.21E+09 7.58E+08 1.34E+09 1.33E+09 1.11E+09 1.06E+09 8.23E+08 5.72E+08 9.99E+08 7.07E+08 1.22E+09 1.19E+09 1.73E+09 9.11E+08 7.94E+08 1-Phenylethanol 6.53E+06 5.82E+06 4.95E+06 4.21E+06 5.86E+06 8.09E+06 9.69E+06 9.99E+06 2.53E+06 7.00E+06 1.05E+07 6.10E+06 4.65E+06 7.17E+06 3.89E+06 7.48E+05 4.62E+06 2.75E+06 2.39E+06 3.79E+06 N/F 1.73E+06 N/F 1.52E+06 2.99E+06 8.82E+06 6.98E+06 2.84E+06 4.26E+06 3.00E+06 1.15E+07 1.30E+07 7.04E+06 2-(3-Carboxy-3-aminopropyl)-histidine 2.40E+06 1.90E+06 3.79E+05 1.31E+06 2.48E+06 1.75E+06 4.85E+05 N/F 4.43E+05 6.83E+05 1.10E+06 4.32E+05 2.23E+06 2.50E+06 6.86E+04 1.84E+06 1.47E+06 1.78E+06 4.66E+05 8.19E+05 1.51E+06 1.80E+06 1.54E+06 1.11E+06 2.26E+06 7.92E+05 3.99E+05 1.12E+06 1.20E+06 1.76E+06 N/F 7.80E+05 2.77E+05 2-Quinolinecarboxylate 2.58E+05 5.70E+04 5.49E+04 5.73E+05 6.83E+05 4.06E+05 1.10E+06 7.17E+05 5.99E+05 4.78E+05 3.87E+05 4.40E+05 3.23E+05 2.62E+05 4.96E+05 4.71E+05 2.63E+05 1.40E+05 6.94E+05 1.21E+05 2.78E+05 3.91E+05 7.20E+05 3.04E+05 1.46E+05 2.88E+05 1.03E+06 2.31E+05 3.13E+05 6.01E+05 1.07E+06 8.44E+05 3.06E+05 3-Hydroxycarnitine (4:0) 2.84E+08 3.26E+08 2.08E+08 4.15E+08 3.06E+08 2.56E+08 1.94E+08 2.42E+08 2.84E+08 3.34E+08 4.31E+08 5.14E+08 2.84E+08 2.39E+08 1.83E+08 2.49E+08 3.16E+08 3.91E+08 4.40E+08 3.76E+08 2.83E+08 2.97E+08 2.53E+08 2.41E+08 2.57E+08 2.11E+08 4.36E+08 3.87E+08 2.50E+08 2.62E+08 2.42E+08 1.78E+08 2.40E+08 3-Hydroxycarnitine (5:0) 2.00E+08 2.21E+08 4.98E+07 9.57E+07 1.51E+08 1.30E+08 6.53E+07 7.32E+07 1.96E+08 2.37E+08 1.01E+08 1.13E+08 1.50E+08 1.27E+08 6.33E+07 8.19E+07 2.34E+08 2.71E+08 9.35E+07 8.97E+07 1.47E+08 1.56E+08 8.16E+07 9.04E+07 2.03E+08 1.85E+08 9.61E+07 9.06E+07 1.52E+08 1.54E+08 7.30E+07 6.74E+07 1.18E+08 3-Hydroxycarnitine (6:0) 1.03E+07 1.22E+07 4.20E+06 9.07E+06 2.34E+07 2.02E+07 8.12E+06 9.76E+06 1.16E+07 1.25E+07 9.32E+06 1.18E+07 2.11E+07 1.90E+07 7.75E+06 1.07E+07 1.17E+07 1.54E+07 8.15E+06 7.65E+06 2.48E+07 2.88E+07 1.11E+07 1.09E+07 1.07E+07 1.02E+07 1.16E+07 1.06E+07 3.08E+07 3.05E+07 8.98E+06 7.26E+06 1.14E+07 3-Hydroxycarnitine (8:0) 3.00E+06 3.24E+06 4.89E+05 2.54E+06 7.72E+06 5.90E+06 1.92E+06 3.37E+06 3.27E+06 4.26E+06 2.64E+06 2.76E+06 6.35E+06 6.02E+06 2.63E+06 4.22E+06 3.04E+06 5.03E+06 1.62E+06 1.85E+06 6.12E+06 6.82E+06 5.28E+06 2.06E+06 2.56E+06 2.86E+06 2.57E+06 4.00E+06 9.41E+06 7.64E+06 2.16E+06 1.52E+06 3.20E+06 3-Methyladenine 2.50E+05 6.28E+05 2.20E+05 5.94E+05 1.40E+05 7.94E+05 4.25E+04 1.10E+05 4.73E+05 1.18E+06 9.75E+05 1.03E+06 1.52E+06 9.13E+05 8.24E+05 1.63E+06 9.89E+05 1.68E+06 5.52E+05 2.55E+06 7.79E+05 1.42E+06 4.00E+05 7.68E+05 2.85E+06 1.66E+06 6.19E+05 1.32E+06 1.83E+06 1.85E+05 1.77E+06 4.22E+06 1.45E+06 4-Acetamidobutanoate 1.93E+07 3.08E+07 2.70E+07 2.21E+07 3.48E+07 3.49E+07 3.68E+07 3.41E+07 3.85E+07 4.39E+07 4.06E+07 3.43E+07 3.62E+07 3.83E+07 3.15E+07 2.77E+07 3.36E+07 3.54E+07 3.90E+07 3.84E+07 3.05E+07 3.88E+07 3.70E+07 3.21E+07 3.67E+07 3.56E+07 2.79E+07 2.90E+07 3.26E+07 3.33E+07 4.05E+07 5.08E+07 3.67E+07 4-Guanidinobutanoate 7.19E+07 8.30E+07 6.21E+07 7.10E+07 9.29E+07 7.75E+07 7.44E+07 7.20E+07 8.01E+07 9.34E+07 8.07E+07 7.16E+07 8.47E+07 8.60E+07 7.05E+07 8.06E+07 8.32E+07 8.46E+07 6.06E+07 6.73E+07 7.84E+07 7.99E+07 7.18E+07 7.79E+07 6.83E+07 7.27E+07 6.58E+07 7.41E+07 9.66E+07 7.76E+07 4.36E+07 6.59E+07 7.13E+07 4-Imidazoleacetate 3.33E+07 3.51E+07 1.30E+07 2.42E+07 3.35E+07 3.20E+07 1.86E+07 2.12E+07 2.50E+07 3.03E+07 2.20E+07 2.52E+07 3.32E+07 3.09E+07 1.67E+07 2.12E+07 3.29E+07 3.58E+07 2.00E+07 1.99E+07 3.72E+07 3.51E+07 2.54E+07 2.34E+07 3.09E+07 2.73E+07 2.18E+07 2.29E+07 4.04E+07 3.90E+07 2.26E+07 2.07E+07 2.58E+07 5-Hydroxylysine 4.98E+06 5.36E+06 2.40E+06 7.26E+06 4.87E+06 4.22E+06 4.36E+06 5.49E+06 6.04E+06 6.94E+06 7.28E+06 7.20E+06 5.26E+06 4.41E+06 2.76E+06 5.44E+06 6.63E+06 6.70E+06 5.72E+06 5.25E+06 3.98E+06 4.64E+06 4.13E+06 4.12E+06 5.50E+06 3.84E+06 6.77E+06 5.54E+06 5.30E+06 4.04E+06 4.67E+06 3.71E+06 4.82E+06 5-Hydroxytryptophan 2.70E+07 2.70E+07 1.83E+07 2.34E+07 2.51E+07 1.99E+07 2.63E+07 2.71E+07 2.52E+07 2.94E+07 2.90E+07 2.95E+07 2.22E+07 2.38E+07 2.29E+07 2.57E+07 2.29E+07 2.45E+07 3.07E+07 2.63E+07 2.57E+07 3.14E+07 3.03E+07 3.53E+07 3.35E+07 2.86E+07 4.43E+07 3.40E+07 3.77E+07 3.48E+07 6.69E+07 5.29E+07 3.40E+07 5-Methylcytosine 3.96E+06 3.53E+06 3.88E+06 4.32E+06 4.75E+06 3.47E+06 5.13E+06 5.59E+06 4.88E+06 5.28E+06 6.24E+06 4.84E+06 4.30E+06 4.46E+06 5.06E+06 3.69E+06 4.10E+06 3.64E+06 4.73E+06 5.66E+06 4.20E+06 4.49E+06 4.94E+06 4.61E+06 3.57E+06 5.28E+06 4.78E+06 4.05E+06 3.34E+06 3.75E+06 7.69E+06 6.81E+06 3.05E+06 6-Phosphonogluconolactone 3.15E+07 4.41E+07 7.83E+06 2.10E+07 6.48E+07 4.18E+07 1.60E+07 2.30E+07 1.95E+07 2.34E+07 1.16E+07 1.62E+07 3.70E+07 2.92E+07 1.49E+07 2.36E+07 2.35E+07 2.72E+07 1.42E+07 1.06E+07 4.38E+07 5.15E+07 2.83E+07 2.68E+07 2.78E+07 2.10E+07 2.37E+07 1.85E+07 5.43E+07 5.06E+07 4.62E+07 4.11E+07 2.49E+07 Acetylaminoadipate 7.78E+08 9.58E+08 2.29E+08 6.21E+08 1.25E+09 9.89E+08 1.04E+09 1.43E+09 6.68E+08 7.85E+08 6.08E+08 7.15E+08 1.14E+09 9.95E+08 1.09E+09 1.53E+09 8.56E+08 9.79E+08 5.42E+08 4.52E+08 1.21E+09 1.23E+09 1.56E+09 1.57E+09 6.69E+08 5.77E+08 5.54E+08 6.09E+08 1.30E+09 1.20E+09 1.44E+09 1.38E+09 8.19E+08 Acetylcarnitine 1.79E+10 1.87E+10 1.74E+10 2.69E+10 2.01E+10 1.80E+10 2.06E+10 2.35E+10 1.65E+10 1.88E+10 2.65E+10 2.80E+10 1.88E+10 1.74E+10 2.08E+10 2.39E+10 1.88E+10 2.14E+10 2.65E+10 2.43E+10 1.99E+10 2.04E+10 2.52E+10 2.54E+10 1.67E+10 1.51E+10 2.61E+10 2.51E+10 1.88E+10 1.86E+10 2.40E+10 2.13E+10 1.94E+10 Adenine 9.92E+07 1.19E+08 1.07E+08 1.45E+08 2.56E+08 2.63E+08 1.72E+08 4.18E+08 2.12E+08 2.21E+08 2.35E+08 2.18E+08 2.94E+08 3.26E+08 2.82E+08 2.89E+08 2.89E+08 2.79E+08 2.27E+08 2.41E+08 3.17E+08 3.14E+08 2.90E+08 3.07E+08 2.87E+08 3.50E+08 2.64E+08 2.86E+08 3.37E+08 3.59E+08 3.00E+08 3.29E+08 4.53E+08 Adenosine 9.35E+06 1.56E+07 1.24E+07 2.24E+07 2.38E+07 1.84E+07 2.72E+07 2.95E+07 2.02E+07 2.65E+07 2.92E+07 2.65E+07 3.76E+07 3.75E+07 4.06E+07 5.27E+07 2.54E+07 2.55E+07 3.86E+07 4.06E+07 3.33E+07 3.07E+07 4.48E+07 5.04E+07 4.12E+07 4.65E+07 4.66E+07 6.00E+07 6.95E+07 4.14E+07 2.74E+07 3.93E+07 2.29E+07 Adenosine monophosphate 5.08E+07 6.53E+07 5.52E+07 9.59E+07 1.49E+08 1.33E+08 1.11E+08 1.69E+08 8.08E+07 8.26E+07 1.25E+08 1.12E+08 1.65E+08 1.72E+08 1.42E+08 1.70E+08 8.40E+07 9.39E+07 9.78E+07 9.88E+07 1.69E+08 1.59E+08 1.58E+08 1.82E+08 8.86E+07 9.63E+07 8.98E+07 1.09E+08 2.14E+08 1.94E+08 1.21E+08 1.21E+08 9.21E+07 ADP-ribose 1.86E+06 3.40E+06 1.33E+06 3.71E+06 7.69E+06 6.11E+06 2.50E+06 5.19E+06 3.94E+06 4.04E+06 5.88E+06 5.46E+06 6.50E+06 5.77E+06 3.87E+06 7.04E+06 5.20E+06 5.31E+06 5.40E+06 4.35E+06 8.54E+06 8.79E+06 7.37E+06 8.65E+06 3.98E+06 4.26E+06 4.53E+06 6.00E+06 1.07E+07 1.02E+07 5.90E+06 5.61E+06 6.25E+06 Agmatine sulfate 1.40E+07 9.64E+06 8.35E+06 1.51E+07 1.68E+07 1.41E+07 1.17E+07 1.31E+07 1.39E+07 1.60E+07 1.40E+07 1.87E+07 1.79E+07 1.41E+07 1.13E+07 1.46E+07 1.64E+07 1.81E+07 1.68E+07 1.32E+07 1.54E+07 1.73E+07 1.65E+07 1.62E+07 1.53E+07 1.25E+07 1.65E+07 1.58E+07 1.78E+07 1.65E+07 1.64E+07 1.44E+07 1.50E+07 Alanine 3.78E+09 3.51E+09 3.24E+09 4.01E+09 4.09E+09 3.97E+09 4.01E+09 3.90E+09 3.10E+09 3.64E+09 3.85E+09 4.03E+09 4.06E+09 3.87E+09 3.97E+09 4.25E+09 3.48E+09 3.68E+09 3.75E+09 3.57E+09 4.15E+09 3.93E+09 4.19E+09 4.44E+09 3.33E+09 3.16E+09 3.86E+09 3.94E+09 4.06E+09 4.06E+09 4.24E+09 4.39E+09 3.48E+09 Ala-Tyr 7.47E+05 1.60E+06 5.85E+05 9.88E+05 3.45E+06 3.33E+06 1.54E+06 2.33E+06 8.34E+05 1.09E+06 2.05E+06 1.01E+06 1.28E+06 2.07E+06 1.89E+06 2.52E+06 9.01E+05 1.64E+06 1.15E+06 1.54E+06 2.83E+06 3.59E+06 2.51E+06 3.06E+06 3.87E+06 3.13E+06 2.62E+06 1.82E+06 6.62E+06 6.53E+06 6.24E+06 5.10E+06 2.68E+06 Aminoadipate 1.60E+08 1.66E+08 4.63E+07 6.98E+07 9.87E+07 8.21E+07 8.12E+07 7.96E+07 1.54E+08 1.76E+08 7.97E+07 8.02E+07 9.60E+07 8.90E+07 7.37E+07 8.41E+07 1.69E+08 1.69E+08 9.33E+07 6.76E+07 8.91E+07 8.67E+07 7.61E+07 7.90E+07 1.57E+08 1.56E+08 8.23E+07 7.28E+07 9.00E+07 8.58E+07 1.15E+08 8.04E+07 8.99E+07 Aminocaprylate 1.51E+06 1.79E+06 1.88E+06 1.31E+06 2.12E+06 1.13E+06 1.12E+06 2.01E+06 1.66E+06 3.37E+06 1.20E+06 1.86E+06 1.44E+06 1.00E+06 1.15E+06 1.15E+06 1.30E+06 2.23E+06 1.16E+06 1.62E+06 1.05E+06 1.05E+06 1.45E+06 1.09E+06 1.89E+06 2.60E+06 1.62E+06 1.03E+06 6.76E+05 1.74E+06 1.78E+06 1.61E+06 1.30E+06 Aminoisobutanoate 6.71E+07 7.14E+07 5.73E+07 7.29E+07 8.37E+07 8.05E+07 7.13E+07 7.42E+07 6.42E+07 7.80E+07 7.52E+07 8.17E+07 8.28E+07 7.84E+07 7.04E+07 8.48E+07 6.94E+07 8.01E+07 8.19E+07 7.54E+07 8.78E+07 8.57E+07 8.65E+07 8.86E+07 7.00E+07 6.00E+07 8.06E+07 7.80E+07 8.38E+07 7.76E+07 7.74E+07 7.96E+07 6.94E+07 Anserine 2.41E+06 2.08E+06 2.21E+06 2.51E+06 2.10E+06 3.18E+06 5.18E+06 4.12E+06 3.66E+06 3.42E+06 3.86E+06 3.50E+06 2.98E+06 3.02E+06 3.36E+06 3.63E+06 2.68E+06 2.20E+06 3.33E+06 2.98E+06 1.88E+06 1.77E+06 1.89E+06 2.17E+06 2.95E+06 2.18E+06 3.45E+06 2.54E+06 2.55E+06 1.75E+06 6.45E+06 6.12E+06 2.86E+06 Arg-Ala 4.57E+06 1.70E+06 1.59E+07 9.30E+06 1.17E+07 1.29E+07 1.56E+07 1.26E+07 3.43E+06 3.17E+06 1.07E+07 3.84E+06 9.51E+06 1.40E+07 1.57E+07 1.34E+07 3.51E+06 1.72E+06 2.37E+06 1.62E+06 7.47E+06 7.12E+06 4.91E+06 9.90E+06 3.29E+06 6.46E+06 5.03E+06 1.05E+07 1.78E+07 1.95E+07 1.71E+07 2.42E+07 6.44E+06 Arginine 2.68E+10 1.87E+10 1.67E+10 2.84E+10 3.15E+10 2.68E+10 2.34E+10 2.54E+10 2.70E+10 2.96E+10 2.98E+10 3.14E+10 3.11E+10 2.71E+10 2.14E+10 2.72E+10 3.07E+10 3.33E+10 3.09E+10 2.72E+10 2.83E+10 3.17E+10 3.02E+10 3.08E+10 2.82E+10 2.66E+10 3.13E+10 2.92E+10 3.37E+10 3.08E+10 3.03E+10 2.56E+10 2.63E+10 Argininosuccinate 3.39E+08 3.30E+08 2.97E+08 3.78E+08 2.73E+08 2.41E+08 2.74E+08 2.79E+08 3.07E+08 3.77E+08 4.67E+08 4.30E+08 2.88E+08 3.03E+08 2.95E+08 3.30E+08 3.85E+08 3.98E+08 3.36E+08 3.86E+08 2.43E+08 2.54E+08 3.46E+08 3.45E+08 3.34E+08 4.25E+08 4.53E+08 4.84E+08 3.34E+08 3.11E+08 1.60E+08 2.55E+08 2.83E+08 Asparagine 1.13E+09 1.09E+09 1.15E+09 1.62E+09 1.80E+09 1.82E+09 2.14E+09 2.09E+09 1.08E+09 1.29E+09 1.55E+09 1.84E+09 1.90E+09 1.68E+09 2.02E+09 2.36E+09 1.09E+09 1.22E+09 1.80E+09 1.43E+09 1.82E+09 1.68E+09 2.21E+09 2.39E+09 9.97E+08 7.46E+08 1.66E+09 1.49E+09 1.59E+09 1.62E+09 2.36E+09 2.21E+09 1.42E+09 Aspartylglycosamine 7.48E+06 1.79E+07 9.47E+06 1.31E+07 1.57E+07 1.01E+07 1.50E+07 1.60E+07 1.13E+07 8.41E+06 1.49E+07 1.56E+07 1.32E+07 1.38E+07 1.40E+07 1.42E+07 7.18E+06 7.23E+06 1.57E+07 1.21E+07 1.47E+07 1.46E+07 2.03E+07 1.91E+07 8.43E+06 9.08E+06 1.45E+07 1.48E+07 1.90E+07 1.72E+07 1.77E+07 8.09E+06 1.11E+07 Asp-Pro 2.72E+08 2.82E+08 1.19E+08 2.23E+08 3.48E+08 2.97E+08 2.19E+08 2.44E+08 2.47E+08 2.95E+08 2.38E+08 2.51E+08 3.58E+08 3.29E+08 2.27E+08 2.82E+08 3.16E+08 3.32E+08 2.25E+08 2.23E+08 3.77E+08 3.77E+08 2.94E+08 3.02E+08 2.88E+08 2.76E+08 2.51E+08 2.56E+08 4.07E+08 3.76E+08 2.51E+08 2.54E+08 2.62E+08 Betaine 9.15E+09 8.85E+09 4.68E+09 6.19E+09 1.03E+10 9.31E+09 6.97E+09 7.52E+09 8.03E+09 8.83E+09 6.26E+09 6.59E+09 9.43E+09 8.77E+09 6.38E+09 6.85E+09 8.14E+09 8.54E+09 7.13E+09 5.74E+09 9.65E+09 9.39E+09 6.67E+09 6.85E+09 7.95E+09 7.39E+09 6.25E+09 5.43E+09 9.77E+09 9.43E+09 1.02E+10 8.04E+09 6.45E+09 Carnitine 5.89E+09 5.53E+09 1.55E+09 2.48E+09 6.17E+09 5.45E+09 2.46E+09 2.88E+09 4.26E+09 4.71E+09 2.12E+09 2.48E+09 5.64E+09 5.40E+09 2.77E+09 3.51E+09 5.51E+09 6.01E+09 2.50E+09 2.23E+09 6.08E+09 6.17E+09 3.61E+09 3.75E+09 5.58E+09 5.06E+09 2.51E+09 3.12E+09 6.42E+09 6.40E+09 2.32E+09 2.41E+09 3.86E+09 Carnitine (12:0) 4.53E+06 5.19E+05 7.79E+06 1.13E+07 7.94E+06 6.20E+06 1.49E+07 1.28E+07 N/F 5.32E+05 9.62E+06 7.86E+06 4.28E+06 3.61E+06 1.46E+07 2.32E+06 2.95E+06 3.22E+06 3.98E+06 6.94E+06 N/F N/F N/F 7.85E+06 1.47E+06 3.09E+06 1.28E+07 5.73E+06 1.05E+06 2.16E+06 9.69E+06 1.29E+07 7.38E+06 Carnitine (14:0) 5.62E+06 2.92E+06 1.39E+07 1.33E+07 1.24E+07 1.37E+07 1.88E+07 1.62E+07 3.70E+06 4.19E+06 1.62E+07 1.42E+07 1.05E+07 1.12E+07 2.53E+07 1.65E+07 9.04E+06 5.04E+06 8.07E+06 1.04E+07 3.86E+06 2.75E+06 8.57E+06 1.70E+07 6.70E+06 7.08E+06 1.68E+07 1.40E+07 7.75E+06 9.66E+06 1.14E+07 1.48E+07 1.26E+07 Carnitine (16:0) 2.23E+07 2.04E+07 3.30E+07 3.56E+07 6.55E+07 6.93E+07 6.62E+07 7.01E+07 3.68E+07 2.73E+07 3.70E+07 3.35E+07 5.72E+07 6.42E+07 8.99E+07 7.38E+07 3.96E+07 3.49E+07 2.75E+07 3.72E+07 4.62E+07 4.33E+07 4.86E+07 6.72E+07 3.00E+07 4.17E+07 3.63E+07 3.69E+07 4.97E+07 5.97E+07 5.66E+07 7.73E+07 4.23E+07 Carnitine (16:1) 9.22E+05 5.58E+05 2.03E+06 3.05E+06 2.43E+06 1.41E+06 4.15E+06 2.69E+06 2.62E+06 1.07E+06 1.09E+06 3.26E+06 1.83E+06 2.86E+06 3.64E+06 3.37E+06 2.96E+06 1.81E+06 1.18E+06 1.92E+06 1.58E+06 1.61E+06 2.00E+06 3.72E+06 2.11E+06 4.13E+06 1.54E+06 1.59E+06 1.34E+06 1.71E+06 1.51E+06 1.96E+06 2.36E+06 Carnitine (18:1) 1.27E+07 6.95E+06 2.12E+07 2.14E+07 2.91E+07 3.59E+07 3.31E+07 3.05E+07 1.75E+07 1.48E+07 1.92E+07 1.93E+07 2.54E+07 2.99E+07 4.74E+07 3.90E+07 2.12E+07 1.94E+07 1.59E+07 2.15E+07 2.66E+07 2.59E+07 2.70E+07 3.66E+07 1.14E+07 2.10E+07 1.94E+07 2.09E+07 2.24E+07 2.76E+07 3.17E+07 3.83E+07 2.46E+07 Carnitine (3:0) 1.23E+10 1.27E+10 3.06E+09 5.45E+09 9.25E+09 7.95E+09 4.55E+09 4.96E+09 1.11E+10 1.25E+10 5.91E+09 6.80E+09 8.75E+09 7.68E+09 4.59E+09 5.54E+09 1.28E+10 1.43E+10 6.64E+09 5.97E+09 8.96E+09 8.92E+09 6.06E+09 6.37E+09 1.20E+10 1.14E+10 5.98E+09 5.18E+09 8.20E+09 8.44E+09 4.75E+09 3.89E+09 6.82E+09 Carnitine (5:0) 1.34E+09 1.36E+09 2.77E+08 5.58E+08 9.38E+08 7.99E+08 3.98E+08 4.24E+08 1.19E+09 1.27E+09 5.20E+08 6.34E+08 7.62E+08 6.42E+08 3.60E+08 4.39E+08 1.29E+09 1.62E+09 5.78E+08 5.05E+08 8.09E+08 8.49E+08 5.04E+08 5.43E+08 1.20E+09 1.11E+09 5.67E+08 4.92E+08 7.40E+08 7.80E+08 5.62E+08 4.22E+08 7.14E+08 Carnitine (6:0) 1.26E+08 1.19E+08 9.50E+07 2.03E+08 1.55E+08 1.32E+08 9.96E+07 1.10E+08 1.09E+08 1.16E+08 2.09E+08 2.18E+08 1.25E+08 1.15E+08 9.74E+07 1.10E+08 1.16E+08 1.33E+08 1.85E+08 1.80E+08 1.36E+08 1.46E+08 1.21E+08 1.25E+08 1.04E+08 1.07E+08 2.36E+08 2.35E+08 1.38E+08 1.39E+08 1.37E+08 1.24E+08 1.18E+08 Carnitine (8:0) 2.91E+07 2.55E+07 3.16E+07 4.46E+07 4.06E+07 3.62E+07 2.80E+07 2.80E+07 2.24E+07 2.03E+07 4.73E+07 4.06E+07 2.52E+07 2.48E+07 2.53E+07 1.34E+07 1.89E+07 2.16E+07 3.06E+07 3.33E+07 1.83E+07 2.36E+07 1.71E+07 2.64E+07 1.94E+07 2.79E+07 5.02E+07 4.11E+07 2.99E+07 3.26E+07 3.70E+07 3.95E+07 3.03E+07 Carnitine (glutaryl) 7.38E+06 8.55E+06 4.85E+06 7.53E+06 9.56E+06 8.28E+06 1.03E+07 1.10E+07 9.69E+06 1.17E+07 1.07E+07 1.29E+07 8.37E+06 7.10E+06 7.60E+06 1.00E+07 7.80E+06 7.68E+06 1.40E+07 8.17E+06 8.37E+06 8.54E+06 8.98E+06 9.30E+06 9.02E+06 6.39E+06 1.26E+07 7.09E+06 8.26E+06 6.75E+06 2.14E+07 1.54E+07 8.88E+06 Carnosine 2.06E+07 2.40E+07 2.19E+07 3.14E+07 3.17E+07 2.87E+07 4.94E+07 5.03E+07 2.63E+07 2.75E+07 3.65E+07 3.85E+07 3.05E+07 2.75E+07 3.41E+07 4.28E+07 2.11E+07 2.08E+07 5.43E+07 2.99E+07 3.05E+07 3.16E+07 3.88E+07 3.91E+07 2.91E+07 2.00E+07 5.17E+07 3.50E+07 3.83E+07 3.17E+07 1.06E+08 8.02E+07 3.16E+07 Ciliatine 3.58E+06 N/F 1.41E+06 1.01E+06 6.43E+05 1.45E+06 5.68E+05 2.45E+06 4.31E+05 2.80E+06 3.57E+05 1.72E+06 3.05E+06 2.10E+06 2.24E+06 6.30E+05 3.00E+06 1.06E+06 7.39E+05 4.00E+05 5.94E+05 N/F 8.89E+04 8.39E+05 7.98E+05 1.56E+06 8.02E+05 1.07E+06 N/F 5.00E+05 N/F 5.13E+05 6.73E+05 Citrulline 6.67E+07 6.72E+07 7.58E+07 9.40E+07 1.42E+08 1.25E+08 1.33E+08 1.41E+08 6.69E+07 7.33E+07 9.45E+07 9.10E+07 1.22E+08 1.23E+08 1.27E+08 1.37E+08 6.60E+07 6.58E+07 9.22E+07 7.59E+07 1.35E+08 1.38E+08 1.22E+08 1.23E+08 6.89E+07 5.58E+07 1.01E+08 9.53E+07 1.68E+08 1.55E+08 2.28E+08 1.84E+08 1.00E+08 Creatine 8.85E+10 8.64E+10 6.18E+10 7.70E+10 8.80E+10 7.89E+10 6.09E+10 6.29E+10 7.29E+10 8.30E+10 7.66E+10 7.07E+10 7.84E+10 7.87E+10 5.93E+10 6.21E+10 8.01E+10 8.32E+10 6.58E+10 6.75E+10 7.89E+10 7.78E+10 6.55E+10 6.69E+10 8.02E+10 8.30E+10 7.13E+10 7.09E+10 8.61E+10 8.31E+10 5.62E+10 6.40E+10 6.72E+10 Creatinine 3.17E+09 3.25E+09 3.06E+09 3.51E+09 4.56E+09 3.88E+09 4.41E+09 4.48E+09 3.59E+09 4.16E+09 4.66E+09 4.05E+09 3.99E+09 4.06E+09 4.01E+09 3.89E+09 3.67E+09 3.86E+09 4.49E+09 4.14E+09 3.94E+09 3.97E+09 4.40E+09 4.26E+09 4.16E+09 4.74E+09 4.68E+09 3.89E+09 4.60E+09 4.76E+09 6.83E+09 5.93E+09 3.65E+09 Cys-Gly 4.08E+08 5.07E+08 2.76E+08 4.26E+08 5.19E+08 4.18E+08 3.60E+08 3.91E+08 4.31E+08 5.16E+08 4.35E+08 4.97E+08 4.86E+08 4.40E+08 3.63E+08 4.18E+08 5.20E+08 6.30E+08 4.95E+08 4.44E+08 4.82E+08 4.85E+08 4.64E+08 4.62E+08 3.98E+08 3.29E+08 3.69E+08 3.40E+08 3.96E+08 3.95E+08 3.14E+08 2.66E+08 3.16E+08 Cystathionine 4.23E+08 4.40E+08 2.41E+08 3.72E+08 8.41E+08 8.07E+08 4.97E+08 5.36E+08 3.88E+08 4.85E+08 3.41E+08 4.44E+08 8.81E+08 6.94E+08 4.87E+08 6.32E+08 4.32E+08 5.05E+08 3.74E+08 2.85E+08 9.36E+08 9.85E+08 6.35E+08 6.84E+08 4.61E+08 3.30E+08 4.17E+08 3.94E+08 9.12E+08 9.59E+08 7.50E+08 6.43E+08 4.87E+08 Deoxyadenosine 6.38E+06 5.24E+06 1.87E+07 3.82E+07 6.83E+06 5.20E+06 3.71E+07 4.37E+07 7.89E+06 1.01E+07 4.91E+07 5.10E+07 8.76E+06 7.44E+06 3.69E+07 3.89E+07 7.73E+06 8.38E+06 4.47E+07 4.22E+07 6.17E+06 4.85E+06 3.00E+07 2.97E+07 4.44E+06 5.36E+06 4.21E+07 3.18E+07 5.86E+06 4.13E+06 2.31E+07 1.30E+07 1.83E+07 Deoxyadenosine diphosphate N/F 2.27E+05 9.78E+04 1.26E+06 8.92E+05 5.75E+05 2.16E+06 4.22E+06 6.63E+05 9.03E+05 3.46E+06 4.21E+06 1.93E+06 1.70E+06 2.73E+06 6.22E+06 8.45E+05 1.28E+06 1.91E+06 2.56E+06 1.79E+06 1.52E+06 4.05E+06 4.49E+06 2.57E+05 6.36E+05 1.31E+06 2.52E+06 1.67E+06 2.00E+06 2.28E+05 1.70E+06 4.89E+05 Deoxycarnitine 2.07E+09 1.86E+09 1.05E+09 1.82E+09 2.05E+09 1.99E+09 1.41E+09 1.65E+09 1.51E+09 1.67E+09 1.56E+09 1.78E+09 2.00E+09 1.90E+09 1.55E+09 1.85E+09 1.94E+09 2.24E+09 1.59E+09 1.62E+09 2.24E+09 2.17E+09 2.16E+09 2.22E+09 1.82E+09 1.54E+09 1.70E+09 1.67E+09 2.05E+09 2.21E+09 1.18E+09 1.52E+09 1.62E+09 Deoxyguanosine 9.35E+06 1.56E+07 1.28E+07 2.24E+07 2.42E+07 1.87E+07 2.80E+07 2.95E+07 2.02E+07 2.69E+07 2.99E+07 2.67E+07 3.78E+07 3.76E+07 4.14E+07 5.27E+07 2.54E+07 2.55E+07 3.88E+07 4.14E+07 3.33E+07 3.07E+07 4.50E+07 5.11E+07 4.18E+07 4.71E+07 4.69E+07 6.05E+07 6.98E+07 4.18E+07 2.75E+07 3.97E+07 2.34E+07 Deoxyguanosine monophosphate 5.53E+07 7.16E+07 7.44E+07 1.13E+08 1.68E+08 1.46E+08 1.29E+08 1.90E+08 9.06E+07 9.26E+07 1.47E+08 1.29E+08 1.83E+08 1.94E+08 1.65E+08 1.96E+08 9.71E+07 1.05E+08 1.12E+08 1.16E+08 1.89E+08 1.80E+08 1.82E+08 2.09E+08 9.99E+07 1.10E+08 1.03E+08 1.30E+08 2.41E+08 2.17E+08 1.35E+08 1.36E+08 1.04E+08 Deoxyinosine monophosphate 9.39E+06 1.08E+07 9.28E+06 9.28E+06 1.37E+07 1.18E+07 1.02E+07 1.43E+07 1.10E+07 1.02E+07 1.44E+07 1.32E+07 9.68E+06 1.40E+07 1.50E+07 1.46E+07 1.06E+07 9.40E+06 2.20E+07 1.76E+07 1.61E+07 1.57E+07 1.94E+07 2.17E+07 1.71E+07 2.05E+07 1.98E+07 2.04E+07 2.07E+07 1.93E+07 2.43E+07 2.07E+07 1.83E+07 Diphthamide 9.99E+05 7.70E+05 1.19E+06 1.52E+06 7.16E+05 4.24E+05 9.32E+05 1.31E+06 3.76E+04 4.72E+04 1.39E+06 1.60E+06 1.11E+05 2.80E+04 1.30E+06 8.35E+05 N/F N/F 1.28E+06 1.72E+06 1.16E+05 1.33E+05 8.79E+05 6.87E+05 N/F N/F 6.04E+05 1.28E+06 N/F N/F 5.31E+04 3.72E+05 1.49E+05 Formylglycine 4.74E+04 N/F 2.15E+05 1.63E+05 N/F 5.69E+04 N/F 9.72E+04 N/F N/F N/F 4.17E+04 8.80E+04 N/F 1.82E+05 2.63E+05 8.98E+04 N/F 7.61E+04 2.38E+05 2.03E+04 1.12E+05 9.99E+04 N/F 3.47E+04 N/F 4.00E+04 3.27E+04 N/F N/F 6.39E+04 N/F N/F Gamma-aminobutyrate 3.68E+09 3.76E+09 2.13E+09 3.05E+09 3.93E+09 2.91E+09 2.78E+09 3.47E+09 3.30E+09 3.31E+09 3.71E+09 2.95E+09 3.54E+09 3.78E+09 2.98E+09 3.12E+09 3.85E+09 3.61E+09 2.87E+09 3.30E+09 3.18E+09 3.32E+09 3.56E+09 3.25E+09 3.18E+09 3.96E+09 2.64E+09 2.95E+09 4.23E+09 3.55E+09 2.20E+09 2.41E+09 2.95E+09 Glucose 1-phosphate 2.77E+07 3.33E+07 8.31E+06 1.84E+07 3.87E+07 2.89E+07 1.52E+07 1.90E+07 2.21E+07 2.86E+07 1.29E+07 1.55E+07 3.10E+07 2.82E+07 1.61E+07 2.07E+07 2.94E+07 3.44E+07 1.46E+07 1.19E+07 3.58E+07 3.80E+07 2.24E+07 2.49E+07 2.78E+07 2.65E+07 2.04E+07 1.95E+07 4.38E+07 4.62E+07 3.03E+07 2.77E+07 2.20E+07 Glu-Gln 7.29E+07 6.86E+07 4.87E+07 7.23E+07 9.08E+07 8.73E+07 9.81E+07 8.57E+07 7.74E+07 8.52E+07 7.39E+07 8.30E+07 8.70E+07 8.53E+07 8.18E+07 9.68E+07 7.11E+07 7.00E+07 8.04E+07 5.86E+07 7.79E+07 7.41E+07 7.48E+07 8.66E+07 7.20E+07 6.40E+07 9.74E+07 7.49E+07 8.98E+07 9.59E+07 1.58E+08 1.61E+08 8.45E+07 Glu-Pro 2.87E+08 3.13E+08 1.08E+08 1.94E+08 3.86E+08 3.39E+08 2.16E+08 2.60E+08 2.19E+08 2.65E+08 1.76E+08 2.43E+08 3.84E+08 3.32E+08 2.13E+08 2.75E+08 2.70E+08 3.17E+08 2.57E+08 1.97E+08 4.35E+08 4.23E+08 3.04E+08 3.19E+08 2.94E+08 2.17E+08 2.50E+08 2.18E+08 4.61E+08 4.24E+08 3.47E+08 2.83E+08 2.63E+08 Glutamate 2.54E+10 2.68E+10 9.14E+09 1.39E+10 2.19E+10 1.86E+10 1.37E+10 1.52E+10 1.92E+10 2.27E+10 1.43E+10 1.62E+10 2.13E+10 1.95E+10 1.36E+10 1.61E+10 2.25E+10 2.42E+10 1.79E+10 1.42E+10 2.15E+10 2.11E+10 1.69E+10 1.70E+10 2.22E+10 1.96E+10 1.64E+10 1.43E+10 2.21E+10 2.06E+10 2.09E+10 1.40E+10 1.64E+10 Glutathione 1.93E+10 2.37E+10 1.37E+10 2.13E+10 2.37E+10 1.97E+10 1.84E+10 2.01E+10 2.05E+10 2.42E+10 2.22E+10 2.51E+10 2.27E+10 2.11E+10 1.91E+10 2.11E+10 2.49E+10 2.98E+10 2.63E+10 2.31E+10 2.35E+10 2.43E+10 2.53E+10 2.55E+10 2.23E+10 1.81E+10 2.11E+10 2.00E+10 2.10E+10 2.11E+10 1.76E+10 1.58E+10 1.77E+10 Glutathione disulfide 4.41E+09 6.24E+09 2.39E+09 3.99E+09 4.73E+09 3.87E+09 3.14E+09 3.64E+09 3.83E+09 4.89E+09 3.77E+09 4.10E+09 4.16E+09 3.61E+09 2.78E+09 3.81E+09 4.80E+09 5.51E+09 4.07E+09 3.25E+09 4.19E+09 4.33E+09 4.16E+09 4.07E+09 4.21E+09 3.98E+09 4.05E+09 3.73E+09 4.92E+09 4.62E+09 4.14E+09 3.54E+09 4.25E+09 Glycerophosphocholine 3.86E+08 3.90E+08 3.78E+08 5.96E+08 6.17E+08 6.32E+08 7.19E+08 7.10E+08 4.41E+08 4.92E+08 6.17E+08 7.39E+08 7.21E+08 6.39E+08 6.82E+08 7.96E+08 4.84E+08 5.26E+08 5.16E+08 4.59E+08 5.40E+08 4.60E+08 4.81E+08 4.86E+08 2.23E+08 1.87E+08 3.86E+08 3.32E+08 2.99E+08 3.38E+08 3.39E+08 3.61E+08 2.82E+08 Glycine 8.69E+08 8.31E+08 7.53E+08 1.16E+09 1.67E+09 1.55E+09 1.32E+09 1.55E+09 2.83E+09 9.45E+08 1.02E+09 1.18E+09 1.61E+09 1.48E+09 1.39E+09 1.56E+09 8.39E+08 9.32E+08 2.86E+09 8.89E+08 1.62E+09 1.59E+09 1.62E+09 1.69E+09 8.28E+08 6.47E+08 1.11E+09 1.19E+09 1.64E+09 1.63E+09 1.46E+09 1.42E+09 1.15E+09 Guanidinoacetate 5.85E+06 3.12E+06 2.39E+06 2.37E+06 1.82E+06 8.74E+05 5.73E+06 4.52E+06 1.01E+06 4.46E+06 2.03E+06 4.52E+06 3.64E+06 1.10E+06 1.22E+06 3.00E+06 4.50E+06 2.72E+06 2.41E+06 1.43E+06 2.44E+06 1.83E+06 1.04E+06 7.04E+05 2.68E+06 5.11E+06 2.33E+06 2.38E+06 2.46E+06 1.75E+06 3.51E+06 2.31E+06 3.19E+06 Guanidinosuccinate N/F N/F 1.64E+07 2.17E+07 N/F N/F 3.88E+07 4.60E+07 N/F N/F 2.76E+07 2.27E+07 N/F 5.77E+05 3.85E+07 4.21E+07 N/F N/F 1.71E+07 2.41E+07 N/F N/F 5.20E+07 4.95E+07 N/F N/F 1.94E+07 2.23E+07 N/F N/F 3.86E+07 3.94E+07 1.27E+07 Guanine 8.64E+06 8.53E+06 5.33E+06 1.01E+07 1.38E+07 1.06E+07 9.33E+06 9.01E+06 9.68E+06 7.25E+06 8.84E+06 1.12E+07 1.18E+07 8.09E+06 8.51E+06 9.92E+06 8.72E+06 6.74E+06 7.63E+06 5.38E+06 6.90E+06 6.45E+06 6.05E+06 5.18E+06 4.18E+06 3.17E+06 5.76E+06 4.28E+06 6.41E+06 4.27E+06 8.78E+06 7.04E+06 3.97E+06 Guanosine 3.86E+05 2.48E+05 7.49E+04 3.31E+05 2.32E+06 1.31E+06 1.55E+05 N/F 1.95E+05 3.82E+05 8.22E+04 1.66E+05 1.08E+06 7.20E+05 7.76E+04 1.91E+05 2.63E+05 8.43E+05 1.61E+05 N/F 4.03E+05 1.75E+05 9.60E+05 5.10E+05 4.16E+05 2.99E+05 5.76E+05 2.20E+05 1.72E+06 1.20E+06 1.71E+06 7.71E+05 2.54E+05 Hexosamines 1.70E+07 2.05E+07 1.54E+07 1.26E+07 1.12E+07 8.00E+06 7.06E+06 1.27E+07 1.14E+07 9.94E+06 1.36E+07 1.16E+07 8.57E+06 8.75E+06 1.01E+07 7.39E+06 1.39E+07 4.36E+06 2.17E+07 2.03E+07 1.06E+07 7.28E+06 1.05E+07 6.32E+06 1.74E+07 2.25E+07 1.56E+07 1.22E+07 1.43E+07 7.96E+06 2.59E+07 2.19E+07 1.45E+07 Histamine 3.36E+08 3.64E+08 2.59E+08 3.81E+08 4.09E+08 3.60E+08 3.28E+08 3.77E+08 3.52E+08 3.95E+08 4.27E+08 4.45E+08 3.93E+08 3.70E+08 3.27E+08 3.86E+08 3.95E+08 4.14E+08 4.30E+08 3.87E+08 3.79E+08 3.92E+08 3.98E+08 3.97E+08 3.80E+08 3.70E+08 4.25E+08 4.01E+08 4.47E+08 4.19E+08 4.25E+08 3.73E+08 3.62E+08 Histidine 2.68E+09 2.69E+09 2.20E+09 2.53E+09 2.96E+09 2.86E+09 3.09E+09 2.93E+09 2.97E+09 3.47E+09 3.21E+09 2.86E+09 3.10E+09 2.98E+09 2.57E+09 2.72E+09 2.92E+09 2.94E+09 2.88E+09 2.62E+09 2.83E+09 2.86E+09 2.84E+09 2.91E+09 2.83E+09 2.55E+09 2.99E+09 2.53E+09 3.00E+09 2.76E+09 3.73E+09 3.48E+09 2.77E+09 Homoarginine 9.30E+07 2.68E+07 6.45E+07 1.02E+08 7.96E+07 7.87E+07 9.32E+07 9.22E+07 7.50E+07 8.97E+07 1.17E+08 9.93E+07 8.28E+07 9.00E+07 8.49E+07 9.49E+07 9.41E+07 8.90E+07 7.93E+07 9.69E+07 9.91E+07 9.85E+07 9.67E+07 1.01E+08 9.00E+07 9.84E+07 1.04E+08 1.21E+08 1.14E+08 1.24E+08 9.72E+07 1.16E+08 1.08E+08 Hypotaurine 5.39E+08 4.90E+08 3.81E+08 4.81E+08 4.48E+08 4.25E+08 3.95E+08 3.80E+08 4.32E+08 4.89E+08 4.71E+08 4.57E+08 4.68E+08 4.54E+08 3.81E+08 4.19E+08 5.19E+08 5.31E+08 3.81E+08 4.40E+08 4.55E+08 4.15E+08 4.07E+08 4.40E+08 4.55E+08 4.61E+08 4.00E+08 4.64E+08 4.13E+08 4.01E+08 2.11E+08 3.12E+08 3.83E+08 Hypoxanthine 5.82E+06 8.18E+06 1.84E+07 2.09E+07 8.40E+06 1.25E+07 2.45E+07 2.52E+07 5.23E+06 8.23E+06 2.51E+07 1.95E+07 7.59E+06 1.05E+07 2.26E+07 2.83E+07 9.91E+06 9.62E+06 2.42E+07 2.79E+07 5.97E+06 9.33E+06 2.72E+07 2.82E+07 1.82E+07 1.79E+07 3.12E+07 3.14E+07 1.53E+07 8.06E+06 2.28E+07 2.58E+07 1.87E+07 Indole 4.23E+06 3.73E+06 9.08E+07 1.41E+07 5.14E+06 2.19E+06 4.07E+06 2.83E+06 3.43E+06 8.05E+06 2.69E+06 3.00E+06 4.44E+06 4.90E+06 4.39E+06 5.61E+06 5.92E+06 4.57E+06 6.28E+06 1.36E+07 1.74E+07 2.63E+06 2.79E+06 4.28E+06 4.26E+06 4.07E+06 3.48E+06 6.07E+06 3.30E+06 4.20E+06 4.11E+06 2.96E+06 2.83E+07 Indole-3-acrylate 1.21E+09 1.30E+09 8.57E+08 1.34E+09 1.90E+09 1.63E+09 1.26E+09 1.42E+09 1.35E+09 1.39E+09 1.33E+09 1.46E+09 1.57E+09 1.35E+09 1.09E+09 1.31E+09 1.25E+09 1.43E+09 1.36E+09 1.03E+09 1.49E+09 1.56E+09 1.34E+09 1.45E+09 1.11E+09 9.57E+08 1.37E+09 1.10E+09 1.52E+09 1.57E+09 2.17E+09 1.61E+09 1.24E+09 Isoleucine 1.74E+10 1.82E+10 1.20E+10 1.88E+10 2.33E+10 2.18E+10 1.94E+10 2.12E+10 1.80E+10 2.03E+10 1.95E+10 2.13E+10 2.22E+10 1.91E+10 1.71E+10 2.10E+10 1.81E+10 2.02E+10 2.12E+10 1.66E+10 2.18E+10 2.24E+10 2.16E+10 2.06E+10 1.65E+10 1.32E+10 2.02E+10 1.66E+10 2.11E+10 2.13E+10 2.65E+10 2.06E+10 1.75E+10 Kynurenate 3.35E+06 3.89E+06 3.79E+06 4.69E+06 3.70E+06 3.44E+06 7.08E+06 5.53E+06 4.03E+06 4.28E+06 5.57E+06 4.62E+06 3.30E+06 3.67E+06 3.92E+06 3.80E+06 3.64E+06 3.13E+06 5.65E+06 4.19E+06 3.56E+06 2.95E+06 3.43E+06 4.02E+06 3.98E+06 3.99E+06 5.15E+06 3.38E+06 4.25E+06 3.31E+06 8.89E+06 6.62E+06 4.09E+06 Kynurenine 1.27E+07 1.53E+07 6.83E+06 1.29E+07 2.56E+07 2.60E+07 1.44E+07 1.64E+07 1.42E+07 1.39E+07 1.59E+07 1.51E+07 1.82E+07 1.75E+07 1.18E+07 1.46E+07 1.45E+07 1.60E+07 1.33E+07 8.85E+06 1.84E+07 2.26E+07 1.53E+07 1.50E+07 1.19E+07 9.78E+06 1.37E+07 1.43E+07 2.23E+07 2.04E+07 1.92E+07 1.68E+07 1.46E+07 Leucine 1.40E+10 1.54E+10 9.74E+09 1.45E+10 1.85E+10 1.60E+10 1.51E+10 1.62E+10 1.35E+10 1.55E+10 1.48E+10 1.63E+10 1.66E+10 1.59E+10 1.38E+10 1.58E+10 1.41E+10 1.57E+10 1.64E+10 1.35E+10 1.71E+10 1.64E+10 1.52E+10 1.68E+10 1.25E+10 1.17E+10 1.46E+10 1.28E+10 1.64E+10 1.58E+10 2.02E+10 1.68E+10 1.38E+10 Leu-Leu 4.00E+06 3.81E+06 1.41E+06 1.91E+06 5.58E+06 4.17E+06 4.39E+06 5.00E+06 1.06E+06 3.30E+06 3.03E+06 7.33E+06 6.59E+06 6.59E+06 4.75E+06 7.92E+06 4.49E+06 3.05E+06 1.11E+06 2.68E+06 1.77E+06 2.74E+06 5.19E+05 6.13E+06 1.07E+07 8.82E+06 5.75E+06 1.14E+07 2.64E+07 2.40E+07 2.37E+07 1.58E+07 3.76E+06 Leu-Pro 1.14E+08 1.35E+08 6.70E+07 1.36E+08 1.85E+08 1.47E+08 1.65E+08 1.94E+08 1.23E+08 1.44E+08 1.58E+08 1.77E+08 1.73E+08 1.43E+08 1.35E+08 1.91E+08 1.36E+08 1.51E+08 1.54E+08 1.27E+08 1.67E+08 1.79E+08 1.99E+08 1.88E+08 1.07E+08 9.62E+07 1.53E+08 1.26E+08 1.91E+08 1.78E+08 2.15E+08 1.52E+08 1.28E+08 Lysine 1.36E+10 1.03E+10 7.23E+09 1.38E+10 1.70E+10 1.38E+10 1.14E+10 1.33E+10 1.36E+10 1.57E+10 1.49E+10 1.62E+10 1.57E+10 1.39E+10 1.00E+10 1.37E+10 1.54E+10 1.73E+10 1.45E+10 1.24E+10 1.53E+10 1.67E+10 1.54E+10 1.52E+10 1.39E+10 1.22E+10 1.55E+10 1.40E+10 1.84E+10 1.72E+10 1.57E+10 1.27E+10 1.31E+10 Lyso-PC (16:0) 7.16E+09 6.20E+09 1.10E+10 1.13E+10 1.02E+10 1.05E+10 9.30E+09 9.78E+09 9.07E+09 8.19E+09 1.23E+10 1.01E+10 8.78E+09 9.87E+09 1.20E+10 9.07E+09 9.28E+09 8.33E+09 8.82E+09 1.10E+10 7.43E+09 7.31E+09 8.64E+09 1.10E+10 8.21E+09 1.26E+10 1.18E+10 1.16E+10 9.94E+09 1.16E+10 1.08E+10 1.47E+10 9.18E+09 Lyso-PC (17:0) 2.59E+08 2.18E+08 3.43E+08 3.35E+08 2.47E+08 2.64E+08 2.14E+08 2.35E+08 3.24E+08 2.74E+08 3.69E+08 3.24E+08 2.17E+08 2.42E+08 2.80E+08 2.31E+08 3.30E+08 2.86E+08 2.87E+08 3.62E+08 1.90E+08 1.97E+08 2.16E+08 2.74E+08 3.12E+08 4.69E+08 3.76E+08 3.55E+08 2.64E+08 3.04E+08 2.85E+08 3.68E+08 2.60E+08 Lyso-PC (18:0) 2.68E+09 2.29E+09 3.96E+09 4.02E+09 3.52E+09 3.93E+09 3.55E+09 3.71E+09 3.78E+09 3.20E+09 4.45E+09 3.90E+09 3.12E+09 3.50E+09 4.66E+09 3.61E+09 3.82E+09 3.30E+09 3.28E+09 4.38E+09 2.79E+09 2.77E+09 3.19E+09 4.12E+09 3.20E+09 4.70E+09 4.21E+09 4.22E+09 3.45E+09 3.96E+09 3.76E+09 5.16E+09 3.17E+09 Lyso-PC (18:1) 5.52E+09 4.34E+09 6.14E+09 6.87E+09 6.64E+09 6.97E+09 4.94E+09 5.44E+09 6.27E+09 5.38E+09 7.07E+09 5.91E+09 5.32E+09 6.22E+09 6.29E+09 5.28E+09 6.07E+09 5.90E+09 4.95E+09 6.13E+09 5.19E+09 5.03E+09 4.59E+09 6.33E+09 5.77E+09 8.26E+09 6.59E+09 6.22E+09 6.53E+09 7.50E+09 5.29E+09 7.60E+09 5.65E+09 Lyso-PC (18:2) 2.10E+08 1.74E+08 2.74E+08 3.09E+08 3.10E+08 3.24E+08 1.78E+08 2.20E+08 2.67E+08 2.20E+08 3.27E+08 2.80E+08 2.22E+08 2.57E+08 2.84E+08 2.41E+08 2.88E+08 2.75E+08 2.09E+08 2.74E+08 2.19E+08 2.11E+08 1.90E+08 2.98E+08 2.50E+08 3.90E+08 3.12E+08 2.86E+08 2.86E+08 3.53E+08 2.15E+08 3.21E+08 2.46E+08 Lyso-PC (22:4) 6.17E+07 5.11E+07 8.94E+07 7.19E+07 2.51E+07 7.42E+07 4.05E+07 5.85E+07 7.88E+07 5.04E+07 1.08E+08 9.89E+07 4.74E+07 6.09E+07 4.64E+07 7.71E+07 1.05E+08 9.90E+07 7.13E+07 9.58E+07 2.30E+07 4.75E+07 5.12E+07 7.78E+07 6.08E+07 9.03E+07 4.46E+07 7.92E+07 5.76E+07 3.78E+07 4.16E+07 7.78E+07 7.08E+07 Lyso-PE (16:0) 7.19E+07 6.42E+07 1.26E+08 1.18E+08 1.19E+08 1.29E+08 1.04E+08 1.10E+08 9.45E+07 7.45E+07 1.16E+08 9.67E+07 1.05E+08 1.19E+08 1.49E+08 1.04E+08 8.82E+07 8.43E+07 8.80E+07 1.10E+08 9.75E+07 9.78E+07 1.04E+08 1.50E+08 9.14E+07 1.50E+08 1.18E+08 1.21E+08 1.13E+08 1.46E+08 1.32E+08 1.86E+08 9.95E+07 Lyso-PE (18:0) 2.86E+08 2.40E+08 3.99E+08 3.74E+08 3.10E+08 3.50E+08 2.93E+08 2.97E+08 3.32E+08 2.86E+08 4.19E+08 3.31E+08 2.78E+08 3.20E+08 3.79E+08 2.64E+08 2.96E+08 2.72E+08 3.21E+08 3.87E+08 2.42E+08 2.40E+08 2.68E+08 3.51E+08 3.26E+08 5.14E+08 3.84E+08 3.85E+08 3.17E+08 3.79E+08 3.46E+08 4.77E+08 2.95E+08 Lyso-PE (18:1) 1.75E+08 1.44E+08 2.44E+08 2.38E+08 2.24E+08 2.37E+08 2.03E+08 2.24E+08 2.00E+08 1.79E+08 2.59E+08 2.08E+08 1.88E+08 2.25E+08 2.74E+08 2.19E+08 2.06E+08 1.93E+08 1.80E+08 2.30E+08 1.89E+08 1.90E+08 2.22E+08 3.04E+08 1.98E+08 3.17E+08 2.61E+08 2.59E+08 2.41E+08 2.86E+08 2.44E+08 3.37E+08 2.15E+08 Lyso-PE (20:4) 4.57E+07 3.75E+07 6.95E+07 8.24E+07 7.03E+07 8.06E+07 5.66E+07 6.71E+07 5.15E+07 6.35E+07 1.07E+08 1.12E+08 5.18E+07 8.70E+07 1.38E+08 1.97E+08 1.60E+08 1.90E+08 4.29E+07 8.61E+07 1.02E+08 7.20E+07 1.16E+08 2.68E+08 3.66E+07 7.07E+07 8.84E+07 8.40E+07 7.11E+07 1.25E+08 3.11E+07 1.01E+08 7.63E+07 Methionine 3.61E+09 4.06E+09 2.19E+09 3.77E+09 5.14E+09 4.52E+09 3.82E+09 4.33E+09 3.72E+09 4.38E+09 3.88E+09 4.63E+09 4.76E+09 4.04E+09 3.28E+09 4.25E+09 3.65E+09 4.56E+09 4.50E+09 3.29E+09 4.63E+09 4.84E+09 4.51E+09 4.54E+09 3.26E+09 2.55E+09 4.29E+09 3.31E+09 4.36E+09 4.33E+09 6.05E+09 4.18E+09 3.64E+09 Methyl 4-aminobutyrate 6.46E+09 7.40E+09 4.48E+09 7.41E+09 9.15E+09 7.78E+09 7.51E+09 8.55E+09 6.51E+09 7.39E+09 7.75E+09 8.79E+09 8.39E+09 7.36E+09 6.57E+09 8.18E+09 6.59E+09 7.40E+09 8.95E+09 6.91E+09 8.20E+09 8.20E+09 8.23E+09 8.14E+09 6.03E+09 5.05E+09 7.79E+09 6.39E+09 8.00E+09 7.60E+09 1.16E+10 8.09E+09 6.59E+09 Met-Leu 1.06E+07 8.82E+06 3.15E+06 6.38E+06 1.12E+07 1.01E+07 5.29E+06 6.27E+06 7.27E+06 8.85E+06 5.13E+06 6.90E+06 9.66E+06 7.83E+06 5.07E+06 6.04E+06 8.96E+06 8.97E+06 4.33E+06 4.36E+06 8.78E+06 9.53E+06 6.22E+06 6.21E+06 7.32E+06 5.96E+06 5.78E+06 5.95E+06 1.11E+07 1.10E+07 6.90E+06 4.07E+06 5.61E+06 N,N,N-Trimethyllysine 6.83E+08 5.77E+08 6.58E+08 1.09E+09 8.77E+08 6.39E+08 1.06E+09 1.30E+09 5.91E+08 7.23E+08 1.35E+09 1.49E+09 8.13E+08 7.57E+08 1.03E+09 1.34E+09 8.15E+08 8.85E+08 1.60E+09 1.37E+09 1.05E+09 1.10E+09 1.79E+09 1.68E+09 7.80E+08 7.34E+08 1.51E+09 1.26E+09 1.10E+09 1.09E+09 1.54E+09 1.27E+09 1.11E+09 N,N-Dimethylarginine 1.78E+09 1.47E+09 1.23E+09 2.04E+09 2.50E+09 2.09E+09 1.95E+09 2.28E+09 1.60E+09 1.88E+09 2.30E+09 2.33E+09 2.21E+09 1.87E+09 1.86E+09 2.24E+09 1.63E+09 1.87E+09 2.20E+09 1.93E+09 2.61E+09 2.80E+09 3.00E+09 2.86E+09 1.65E+09 1.44E+09 2.38E+09 2.31E+09 3.01E+09 2.85E+09 3.22E+09 2.25E+09 1.85E+09 N,N-Dimethyllysine 3.13E+08 3.01E+08 1.57E+08 3.35E+08 3.95E+08 3.35E+08 3.06E+08 3.90E+08 3.30E+08 3.93E+08 4.01E+08 4.45E+08 4.10E+08 3.63E+08 2.93E+08 4.11E+08 3.94E+08 4.24E+08 3.82E+08 3.81E+08 4.46E+08 4.60E+08 4.46E+08 4.55E+08 3.62E+08 3.05E+08 4.45E+08 3.87E+08 5.42E+08 4.85E+08 2.48E+08 3.90E+08 3.60E+08 N6-(delta2-Isopentenyl)-adenine 1.42E+10 1.52E+10 1.40E+10 2.24E+10 1.72E+10 1.53E+10 1.70E+10 1.93E+10 1.41E+10 1.50E+10 2.14E+10 2.38E+10 1.68E+10 1.48E+10 1.80E+10 2.05E+10 1.62E+10 1.76E+10 2.23E+10 1.96E+10 1.59E+10 1.54E+10 1.84E+10 1.82E+10 1.17E+10 1.05E+10 1.83E+10 1.76E+10 1.29E+10 1.25E+10 1.61E+10 1.48E+10 1.33E+10 N-Acetylglutamate 2.41E+09 2.10E+09 9.59E+08 1.57E+09 1.67E+09 1.53E+09 1.31E+09 1.41E+09 1.99E+09 2.36E+09 1.82E+09 1.79E+09 1.75E+09 1.67E+09 1.21E+09 1.59E+09 2.45E+09 2.36E+09 1.39E+09 1.45E+09 1.72E+09 1.69E+09 1.75E+09 1.88E+09 2.10E+09 2.36E+09 1.99E+09 1.81E+09 2.10E+09 1.98E+09 1.81E+09 2.11E+09 2.21E+09 N-Acetylhexosamine 1.07E+06 3.64E+06 4.69E+05 1.48E+06 4.37E+06 4.49E+06 1.08E+06 3.39E+06 1.69E+06 2.39E+06 2.51E+06 1.59E+06 4.20E+06 3.35E+06 1.54E+06 2.62E+06 3.25E+06 3.86E+06 2.47E+06 2.20E+06 4.30E+06 5.83E+06 3.44E+06 3.55E+06 3.55E+06 3.10E+06 4.29E+06 3.75E+06 8.11E+06 6.96E+06 5.75E+06 3.30E+06 4.74E+06 N-Acetylneuraminate 1.67E+07 2.08E+07 2.38E+08 2.91E+08 2.95E+07 2.45E+07 2.61E+08 2.75E+08 1.57E+07 1.81E+07 2.67E+08 2.71E+08 2.56E+07 2.48E+07 2.66E+08 3.07E+08 1.82E+07 1.66E+07 2.31E+08 2.72E+08 3.05E+07 2.71E+07 2.98E+08 3.05E+08 2.36E+07 2.73E+07 2.96E+08 3.04E+08 4.64E+07 4.25E+07 1.61E+08 2.24E+08 1.32E+08 NAD+ 2.13E+09 2.73E+09 1.44E+09 2.65E+09 3.49E+09 2.90E+09 2.41E+09 3.09E+09 2.27E+09 2.53E+09 2.86E+09 3.01E+09 3.17E+09 3.05E+09 2.66E+09 3.31E+09 2.84E+09 3.05E+09 2.76E+09 2.62E+09 3.31E+09 3.39E+09 3.58E+09 3.64E+09 2.38E+09 2.30E+09 2.76E+09 2.74E+09 3.67E+09 3.51E+09 2.57E+09 2.46E+09 2.45E+09 NADP+ 2.93E+07 4.36E+07 1.61E+07 3.91E+07 7.43E+07 6.31E+07 3.29E+07 5.23E+07 4.99E+07 5.22E+07 4.01E+07 4.95E+07 7.80E+07 7.21E+07 4.52E+07 7.12E+07 6.12E+07 7.99E+07 5.95E+07 4.32E+07 8.47E+07 8.70E+07 6.11E+07 7.88E+07 7.80E+07 6.46E+07 6.59E+07 5.29E+07 9.37E+07 1.07E+08 8.69E+07 6.26E+07 4.28E+07 N-alpha-Acetyllysine 4.40E+06 3.84E+06 4.98E+06 3.39E+06 2.32E+06 4.62E+05 7.66E+05 1.30E+06 5.22E+06 3.40E+06 4.98E+06 7.91E+06 2.17E+06 3.12E+06 1.19E+06 1.27E+05 8.49E+06 8.62E+06 3.20E+06 5.26E+06 1.97E+06 3.09E+06 2.70E+06 2.22E+06 6.23E+06 7.93E+06 7.25E+06 5.83E+06 5.15E+06 4.84E+06 7.47E+05 1.73E+06 1.98E+06 Nicotinamide 2.76E+09 2.05E+09 2.37E+09 2.35E+09 2.71E+09 2.58E+09 3.09E+09 2.88E+09 2.50E+09 2.49E+09 2.93E+09 2.41E+09 2.21E+09 2.47E+09 2.54E+09 1.79E+09 2.21E+09 2.05E+09 2.13E+09 2.16E+09 1.62E+09 1.86E+09 1.48E+09 1.81E+09 2.01E+09 2.91E+09 2.57E+09 1.91E+09 1.87E+09 1.90E+09 3.80E+09 4.28E+09 2.41E+09 Nicotinamide mononucleotide 9.48E+05 2.85E+06 2.51E+06 3.32E+06 6.75E+06 6.95E+06 8.37E+06 1.18E+07 1.35E+06 4.14E+06 5.12E+06 6.32E+06 9.37E+06 8.43E+06 9.31E+06 1.30E+07 3.33E+06 1.74E+06 8.20E+06 6.06E+05 5.08E+06 7.73E+06 1.40E+07 1.38E+07 N/F N/F 4.42E+06 3.83E+06 7.87E+06 5.41E+06 1.19E+07 6.91E+06 3.25E+06 N-Methylglutamate 2.29E+07 3.11E+07 1.33E+07 2.32E+07 3.58E+07 3.00E+07 3.08E+07 3.20E+07 3.52E+07 4.90E+07 2.92E+07 3.50E+07 2.65E+07 2.12E+07 2.05E+07 2.58E+07 3.38E+07 3.69E+07 4.81E+07 2.45E+07 3.44E+07 3.19E+07 2.56E+07 2.71E+07 4.11E+07 2.26E+07 4.31E+07 1.81E+07 2.43E+07 2.36E+07 6.59E+07 4.23E+07 3.68E+07 O-Acetylserine 1.47E+07 2.19E+07 1.05E+07 4.25E+06 1.47E+07 1.98E+07 7.62E+06 3.29E+06 1.28E+07 1.98E+07 1.06E+07 4.99E+06 1.77E+07 1.98E+07 8.39E+06 4.75E+06 1.88E+07 2.38E+07 8.35E+06 8.27E+06 2.04E+07 1.77E+07 1.04E+07 9.15E+06 1.81E+07 1.65E+07 5.17E+06 7.78E+06 1.50E+07 1.81E+07 1.93E+06 2.70E+06 9.65E+06 Oleamide 8.21E+08 5.75E+08 9.95E+08 1.08E+09 1.20E+09 1.20E+09 6.96E+08 8.32E+08 7.28E+08 5.86E+08 9.17E+08 6.55E+08 7.32E+08 8.90E+08 8.67E+08 6.28E+08 5.66E+08 5.64E+08 5.58E+08 7.06E+08 6.96E+08 7.28E+08 5.51E+08 7.26E+08 7.09E+08 1.05E+09 6.48E+08 7.47E+08 8.26E+08 9.86E+08 5.70E+08 8.80E+08 7.25E+08 Ornithine 1.33E+08 7.20E+07 1.77E+08 1.97E+08 1.10E+08 1.55E+08 1.95E+08 1.30E+08 9.71E+07 1.35E+08 2.13E+08 1.81E+08 1.24E+08 1.25E+08 1.35E+08 1.78E+08 1.72E+08 2.17E+08 1.91E+08 1.90E+08 1.11E+08 1.28E+08 1.35E+08 1.47E+08 1.72E+08 1.28E+08 1.59E+08 2.10E+08 1.37E+08 1.13E+08 2.08E+08 1.92E+08 3.00E+08 O-Succinyl homoserine 1.82E+06 2.71E+06 1.17E+06 1.55E+06 1.95E+07 1.18E+07 5.68E+06 5.95E+06 1.59E+07 4.99E+06 2.70E+06 2.64E+06 9.11E+06 7.95E+06 4.15E+06 1.30E+07 3.51E+06 3.80E+06 8.06E+06 6.49E+05 1.26E+07 1.08E+07 3.53E+06 3.79E+06 1.89E+06 1.00E+06 4.06E+06 4.39E+06 1.27E+07 9.44E+06 1.53E+07 1.13E+07 6.28E+06 Pantothenate 1.76E+09 2.14E+09 9.92E+08 1.74E+09 2.75E+09 2.13E+09 2.33E+09 2.61E+09 1.94E+09 2.30E+09 2.15E+09 2.23E+09 2.51E+09 2.44E+09 2.18E+09 2.75E+09 2.26E+09 2.40E+09 2.05E+09 1.87E+09 2.37E+09 2.47E+09 2.86E+09 2.72E+09 1.67E+09 1.54E+09 1.90E+09 1.78E+09 2.77E+09 2.36E+09 2.43E+09 2.06E+09 1.94E+09 PC (32:0) 2.32E+09 1.63E+09 1.90E+09 2.11E+09 1.54E+09 1.55E+09 1.62E+09 1.40E+09 1.50E+09 1.70E+09 1.96E+09 1.69E+09 1.48E+09 1.64E+09 1.68E+09 1.37E+09 1.67E+09 1.48E+09 1.90E+09 2.08E+09 1.34E+09 1.25E+09 1.28E+09 1.38E+09 1.95E+09 1.92E+09 1.71E+09 1.72E+09 1.41E+09 1.47E+09 1.31E+09 1.53E+09 1.29E+09 PC (32:1) 1.48E+10 1.26E+10 1.42E+10 1.62E+10 1.48E+10 1.51E+10 1.15E+10 1.21E+10 1.39E+10 1.36E+10 1.54E+10 1.30E+10 1.34E+10 1.47E+10 1.31E+10 1.16E+10 1.44E+10 1.36E+10 1.29E+10 1.49E+10 1.33E+10 1.30E+10 1.14E+10 1.29E+10 1.71E+10 2.03E+10 1.47E+10 1.60E+10 1.57E+10 1.59E+10 1.25E+10 1.55E+10 1.17E+10 PC (32:2) 1.17E+09 1.03E+09 9.62E+08 1.23E+09 1.15E+09 1.13E+09 6.24E+08 7.39E+08 1.20E+09 1.17E+09 1.14E+09 9.58E+08 9.51E+08 1.09E+09 7.54E+08 7.00E+08 1.36E+09 1.27E+09 8.81E+08 1.05E+09 1.04E+09 1.06E+09 6.56E+08 7.63E+08 1.50E+09 1.90E+09 1.10E+09 1.20E+09 1.27E+09 1.34E+09 7.16E+08 9.75E+08 8.95E+08 PC (34:1) 2.95E+10 2.59E+10 3.32E+10 3.08E+10 2.75E+10 2.63E+10 3.71E+10 3.37E+10 2.83E+10 3.11E+10 3.64E+10 3.09E+10 3.22E+10 3.43E+10 3.83E+10 3.25E+10 2.98E+10 2.72E+10 3.17E+10 3.52E+10 2.93E+10 2.77E+10 3.32E+10 3.43E+10 3.70E+10 3.87E+10 3.21E+10 3.44E+10 3.29E+10 3.00E+10 3.04E+10 3.60E+10 2.99E+10 PC (34:2) 1.10E+10 9.65E+09 9.86E+09 1.16E+10 1.10E+10 1.06E+10 8.46E+09 9.03E+09 1.05E+10 1.06E+10 1.13E+10 9.47E+09 9.70E+09 1.08E+10 9.72E+09 8.67E+09 1.16E+10 1.08E+10 8.89E+09 1.05E+10 9.47E+09 9.23E+09 7.93E+09 8.88E+09 1.24E+10 1.53E+10 1.01E+10 1.09E+10 1.10E+10 1.09E+10 8.03E+09 1.02E+10 8.65E+09 PC (36:1) 4.55E+09 3.32E+09 3.29E+09 3.55E+09 3.07E+09 2.80E+09 4.30E+09 3.36E+09 2.80E+09 3.57E+09 3.81E+09 3.25E+09 3.41E+09 3.56E+09 4.07E+09 3.42E+09 3.26E+09 2.78E+09 3.41E+09 3.58E+09 2.64E+09 2.29E+09 3.12E+09 3.04E+09 3.42E+09 3.05E+09 2.90E+09 3.08E+09 2.66E+09 2.35E+09 2.34E+09 2.78E+09 2.82E+09 PC (36:2) 1.96E+10 1.64E+10 1.65E+10 1.89E+10 1.76E+10 1.63E+10 1.79E+10 1.70E+10 1.54E+10 1.72E+10 1.94E+10 1.60E+10 1.67E+10 1.79E+10 1.89E+10 1.68E+10 1.70E+10 1.58E+10 1.52E+10 1.74E+10 1.53E+10 1.45E+10 1.59E+10 1.66E+10 2.00E+10 2.23E+10 1.70E+10 1.87E+10 1.73E+10 1.57E+10 1.42E+10 1.76E+10 1.58E+10 PC (36:4) 2.90E+09 2.42E+09 3.04E+09 3.72E+09 2.90E+09 2.76E+09 3.13E+09 3.32E+09 2.91E+09 2.94E+09 4.04E+09 3.43E+09 2.66E+09 2.88E+09 3.59E+09 3.32E+09 2.97E+09 2.70E+09 3.25E+09 3.79E+09 2.28E+09 2.20E+09 2.71E+09 3.06E+09 3.06E+09 3.63E+09 3.46E+09 3.64E+09 2.55E+09 2.54E+09 2.84E+09 4.87E+09 2.57E+09 PC (36:5) 3.78E+08 3.21E+08 4.97E+08 4.78E+08 4.05E+08 3.87E+08 3.31E+08 3.88E+08 4.03E+08 4.02E+08 4.99E+08 4.18E+08 3.46E+08 3.80E+08 3.94E+08 3.77E+08 4.24E+08 4.05E+08 3.79E+08 4.57E+08 3.25E+08 3.33E+08 3.08E+08 3.79E+08 4.65E+08 5.51E+08 4.53E+08 4.69E+08 3.85E+08 3.98E+08 3.38E+08 9.67E+08 3.89E+08 PC (38:4) 2.28E+09 1.88E+09 1.97E+09 2.37E+09 1.84E+09 1.64E+09 2.13E+09 2.01E+09 2.01E+09 2.22E+09 2.80E+09 2.31E+09 1.76E+09 1.89E+09 2.26E+09 2.03E+09 2.10E+09 1.84E+09 2.15E+09 2.48E+09 1.37E+09 1.24E+09 1.61E+09 1.69E+09 2.00E+09 2.32E+09 2.11E+09 2.28E+09 1.52E+09 1.35E+09 1.48E+09 1.94E+09 1.54E+09 PC (38:5) 2.69E+09 2.28E+09 2.57E+09 3.30E+09 2.46E+09 2.23E+09 2.46E+09 2.62E+09 2.67E+09 2.73E+09 3.56E+09 2.98E+09 2.20E+09 2.39E+09 2.81E+09 2.60E+09 2.87E+09 2.54E+09 2.75E+09 3.27E+09 1.84E+09 1.77E+09 1.99E+09 2.24E+09 2.68E+09 3.30E+09 2.90E+09 3.09E+09 2.09E+09 2.01E+09 2.00E+09 3.43E+09 2.17E+09 PC (40:4) 3.88E+08 3.03E+08 2.97E+08 3.62E+08 2.36E+08 2.06E+08 3.39E+08 2.80E+08 2.72E+08 3.62E+08 4.38E+08 3.53E+08 2.59E+08 2.77E+08 3.31E+08 2.95E+08 3.17E+08 2.52E+08 3.39E+08 3.65E+08 1.84E+08 1.53E+08 2.24E+08 2.08E+08 2.71E+08 2.83E+08 2.92E+08 3.35E+08 1.85E+08 1.43E+08 1.68E+08 2.04E+08 2.48E+08 PC (40:5) 9.60E+08 8.20E+08 8.30E+08 1.04E+09 7.01E+08 6.10E+08 8.58E+08 7.85E+08 8.34E+08 9.51E+08 1.20E+09 9.82E+08 6.97E+08 7.42E+08 8.93E+08 8.15E+08 8.86E+08 7.90E+08 9.03E+08 1.04E+09 5.13E+08 4.60E+08 5.92E+08 6.12E+08 8.32E+08 9.52E+08 8.64E+08 9.58E+08 5.61E+08 4.71E+08 5.01E+08 6.90E+08 6.94E+08 PC (40:6) 8.91E+08 7.64E+08 7.74E+08 1.01E+09 7.23E+08 6.48E+08 8.30E+08 8.20E+08 8.30E+08 8.95E+08 1.13E+09 9.50E+08 6.78E+08 7.27E+08 9.02E+08 8.27E+08 8.84E+08 7.72E+08 8.67E+08 1.03E+09 5.21E+08 4.88E+08 5.90E+08 6.52E+08 7.91E+08 9.23E+08 8.50E+08 9.07E+08 5.66E+08 5.26E+08 5.32E+08 7.24E+08 6.53E+08 PC (40:8) 2.15E+07 2.38E+07 2.17E+07 4.33E+07 2.38E+07 2.59E+07 2.13E+07 3.50E+07 3.98E+07 2.99E+07 5.05E+07 4.78E+07 2.69E+07 1.89E+07 3.14E+07 2.81E+07 3.66E+07 3.56E+07 3.86E+07 4.22E+07 1.64E+07 1.71E+07 2.58E+07 2.97E+07 3.51E+07 4.31E+07 4.49E+07 3.69E+07 2.00E+07 2.63E+07 2.26E+07 2.12E+08 2.31E+07 PC (44:8) 2.02E+06 1.25E+06 N/F 4.40E+06 6.57E+05 2.50E+05 6.43E+05 3.05E+06 3.52E+06 4.77E+06 6.37E+06 4.21E+06 8.79E+05 N/F 4.16E+05 2.07E+06 2.65E+06 2.18E+06 4.02E+06 4.49E+06 6.69E+05 2.74E+05 8.67E+05 2.80E+05 3.18E+06 6.63E+05 3.75E+06 1.51E+06 N/F N/F 1.06E+06 2.63E+06 5.37E+05 PE (32:0) 1.85E+08 1.51E+08 1.42E+08 1.89E+08 1.38E+08 1.61E+08 1.03E+08 1.02E+08 1.82E+08 1.73E+08 1.82E+08 1.60E+08 1.21E+08 1.33E+08 1.24E+08 1.03E+08 1.80E+08 1.66E+08 1.65E+08 1.90E+08 1.24E+08 1.19E+08 9.68E+07 1.12E+08 2.12E+08 2.56E+08 1.70E+08 1.74E+08 1.43E+08 1.50E+08 1.20E+08 1.60E+08 1.17E+08 PE (34:1) 4.58E+08 4.24E+08 4.53E+08 4.37E+08 4.59E+08 4.42E+08 3.07E+08 2.99E+08 4.85E+08 4.86E+08 5.26E+08 4.34E+08 3.45E+08 4.28E+08 3.76E+08 2.81E+08 5.26E+08 4.82E+08 4.39E+08 4.10E+08 3.62E+08 3.40E+08 2.88E+08 3.27E+08 5.96E+08 6.41E+08 4.38E+08 2.52E+08 3.91E+08 3.84E+08 2.70E+08 3.59E+08 3.54E+08 PE (34:2) 1.28E+08 9.74E+07 1.11E+08 1.08E+08 8.80E+07 8.40E+07 7.92E+07 8.18E+07 8.38E+07 8.91E+07 1.05E+08 9.33E+07 9.02E+07 9.80E+07 8.31E+07 6.45E+07 8.84E+07 8.31E+07 9.09E+07 1.04E+08 8.33E+07 7.82E+07 7.26E+07 6.88E+07 1.23E+08 1.24E+08 1.07E+08 1.12E+08 1.03E+08 9.32E+07 7.28E+07 7.77E+07 8.15E+07 PE (36:1) 2.35E+09 1.92E+09 2.07E+09 2.33E+09 1.89E+09 1.90E+09 1.82E+09 1.74E+09 1.97E+09 2.04E+09 2.37E+09 2.00E+09 1.77E+09 1.94E+09 2.01E+09 1.72E+09 2.02E+09 1.89E+09 2.00E+09 2.28E+09 1.67E+09 1.58E+09 1.67E+09 1.82E+09 2.47E+09 2.80E+09 2.11E+09 2.23E+09 1.92E+09 1.83E+09 1.72E+09 2.05E+09 1.71E+09 PE (36:2) 5.82E+08 4.65E+08 5.10E+08 5.46E+08 4.35E+08 4.01E+08 4.35E+08 4.02E+08 4.42E+08 4.90E+08 5.82E+08 4.89E+08 4.20E+08 4.44E+08 4.27E+08 3.95E+08 5.03E+08 4.63E+08 4.99E+08 5.38E+08 3.70E+08 3.50E+08 3.63E+08 3.92E+08 6.14E+08 6.46E+08 5.02E+08 5.43E+08 4.34E+08 4.16E+08 3.21E+08 4.26E+08 4.15E+08 PE (36:3) 8.33E+07 6.66E+07 7.67E+07 8.02E+07 6.24E+07 6.03E+07 7.36E+07 6.37E+07 5.90E+07 6.88E+07 8.96E+07 6.82E+07 7.05E+07 7.06E+07 6.98E+07 5.79E+07 6.53E+07 5.47E+07 7.20E+07 7.66E+07 5.30E+07 4.54E+07 5.48E+07 4.86E+07 7.35E+07 8.04E+07 7.31E+07 7.44E+07 6.00E+07 4.81E+07 4.77E+07 6.17E+07 5.42E+07 PE (38:1) 1.08E+09 8.37E+08 8.15E+08 8.41E+08 6.28E+08 6.05E+08 7.75E+08 6.23E+08 7.19E+08 8.65E+08 8.95E+08 7.72E+08 6.61E+08 7.01E+08 7.56E+08 6.34E+08 8.15E+08 7.04E+08 8.03E+08 8.46E+08 5.29E+08 4.60E+08 5.59E+08 5.56E+08 9.26E+08 8.52E+08 7.15E+08 7.43E+08 5.52E+08 4.82E+08 4.70E+08 5.43E+08 6.06E+08 PE (38:3) 1.14E+08 8.97E+07 1.05E+08 1.28E+08 9.10E+07 7.62E+07 8.62E+07 8.68E+07 1.02E+08 1.05E+08 1.35E+08 1.18E+08 8.03E+07 8.55E+07 8.74E+07 8.46E+07 1.12E+08 1.03E+08 1.12E+08 1.22E+08 7.28E+07 6.94E+07 6.84E+07 7.36E+07 1.13E+08 1.30E+08 1.08E+08 1.09E+08 8.09E+07 7.34E+07 6.53E+07 9.66E+07 7.79E+07 PE (38:4) 2.46E+08 1.70E+08 1.95E+08 1.87E+08 1.33E+08 1.08E+08 2.05E+08 1.45E+08 1.30E+08 1.81E+08 2.13E+08 1.90E+08 1.52E+08 1.57E+08 1.70E+08 1.60E+08 1.62E+08 1.34E+08 1.97E+08 2.02E+08 1.09E+08 9.31E+07 1.33E+08 1.27E+08 1.56E+08 1.44E+08 1.57E+08 1.72E+08 1.16E+08 9.62E+07 9.82E+07 2.08E+08 1.61E+08 PE (38:6) 3.54E+07 2.63E+07 3.57E+07 2.80E+07 2.07E+07 1.84E+07 3.78E+07 2.89E+07 2.08E+07 2.45E+07 3.94E+07 2.77E+07 2.85E+07 2.64E+07 3.46E+07 2.57E+07 1.77E+07 1.52E+07 3.01E+07 2.69E+07 1.62E+07 9.92E+06 2.22E+07 1.87E+07 1.45E+07 1.24E+07 2.01E+07 2.78E+07 1.02E+07 8.45E+06 1.55E+07 1.01E+07 2.36E+07 PE (40:5) 1.01E+08 7.53E+07 8.77E+07 9.17E+07 5.93E+07 5.14E+07 8.33E+07 7.02E+07 6.56E+07 9.11E+07 1.24E+08 9.97E+07 6.73E+07 6.88E+07 7.24E+07 7.66E+07 8.02E+07 7.32E+07 9.55E+07 1.06E+08 4.76E+07 4.87E+07 6.39E+07 5.95E+07 7.76E+07 8.79E+07 8.63E+07 9.61E+07 5.63E+07 4.69E+07 4.25E+07 1.10E+08 7.18E+07 PE (40:7) 4.05E+07 4.50E+07 5.04E+07 5.69E+07 2.63E+07 2.51E+07 5.72E+07 5.38E+07 3.24E+07 3.77E+07 7.39E+07 5.25E+07 3.49E+07 4.14E+07 4.79E+07 4.59E+07 3.11E+07 2.23E+07 4.53E+07 5.54E+07 1.96E+07 1.79E+07 3.83E+07 3.08E+07 2.53E+07 3.30E+07 4.23E+07 4.99E+07 1.55E+07 9.36E+06 1.97E+07 3.08E+07 3.23E+07 Phenylalanine 1.58E+10 1.63E+10 1.12E+10 1.68E+10 2.13E+10 1.89E+10 1.65E+10 1.76E+10 1.59E+10 1.77E+10 1.68E+10 1.80E+10 1.91E+10 1.72E+10 1.50E+10 1.72E+10 1.60E+10 1.78E+10 1.74E+10 1.46E+10 1.91E+10 1.94E+10 1.75E+10 1.82E+10 1.48E+10 1.34E+10 1.70E+10 1.47E+10 1.88E+10 1.88E+10 2.33E+10 1.89E+10 1.58E+10 Phosphoethanolamine 3.48E+06 1.83E+06 6.66E+06 1.04E+07 4.35E+06 3.79E+06 1.70E+07 1.94E+07 9.93E+05 9.79E+05 9.99E+06 1.22E+07 4.24E+06 3.47E+06 1.70E+07 1.96E+07 1.55E+06 2.37E+06 9.57E+06 1.03E+07 3.69E+06 4.64E+06 2.23E+07 2.13E+07 3.82E+05 2.00E+05 1.26E+07 1.02E+07 5.77E+06 5.37E+06 1.32E+07 1.34E+07 7.15E+06 Phosphorylcholine 8.14E+10 7.71E+10 4.59E+10 6.29E+10 4.69E+10 4.23E+10 4.14E+10 4.20E+10 7.11E+10 7.90E+10 6.73E+10 6.61E+10 5.07E+10 4.89E+10 4.36E+10 4.66E+10 8.10E+10 8.01E+10 7.62E+10 7.45E+10 4.61E+10 4.20E+10 5.44E+10 5.75E+10 7.77E+10 8.10E+10 6.56E+10 6.46E+10 4.21E+10 4.05E+10 4.51E+10 4.09E+10 5.73E+10 Phosphoserine 1.70E+06 2.26E+06 1.01E+07 2.11E+07 2.89E+06 2.17E+06 2.04E+07 2.57E+07 4.80E+06 6.86E+06 3.58E+07 4.67E+07 6.54E+06 5.85E+06 2.11E+07 2.85E+07 6.28E+06 7.38E+06 3.86E+07 2.82E+07 3.64E+06 4.16E+06 2.21E+07 2.24E+07 1.70E+06 1.65E+06 3.88E+07 3.27E+07 1.98E+06 8.47E+05 1.01E+07 5.82E+06 1.06E+07 Pipecolate 4.31E+07 5.42E+07 1.50E+07 2.73E+07 4.34E+07 3.68E+07 2.50E+07 3.01E+07 4.86E+07 5.16E+07 2.43E+07 3.34E+07 4.13E+07 3.15E+07 2.27E+07 3.41E+07 5.09E+07 6.49E+07 4.38E+07 2.29E+07 4.42E+07 4.67E+07 4.35E+07 4.26E+07 4.64E+07 3.75E+07 3.57E+07 2.75E+07 4.71E+07 4.60E+07 4.76E+07 3.20E+07 3.59E+07 Platelet-activating factor 2.41E+09 2.14E+09 3.70E+09 3.60E+09 3.27E+09 3.53E+09 3.18E+09 3.34E+09 3.40E+09 2.90E+09 4.05E+09 3.55E+09 2.97E+09 3.41E+09 4.17E+09 3.41E+09 3.46E+09 3.15E+09 3.14E+09 3.95E+09 2.67E+09 2.59E+09 3.10E+09 3.92E+09 2.96E+09 4.54E+09 3.79E+09 3.90E+09 3.18E+09 3.64E+09 3.39E+09 4.60E+09 2.94E+09 Proline 4.21E+10 4.55E+10 2.25E+10 3.78E+10 4.73E+10 4.25E+10 3.37E+10 3.79E+10 3.71E+10 4.46E+10 3.63E+10 4.28E+10 4.52E+10 3.99E+10 3.16E+10 3.90E+10 4.01E+10 4.91E+10 4.15E+10 3.45E+10 4.87E+10 4.86E+10 4.57E+10 4.58E+10 4.01E+10 3.29E+10 4.09E+10 3.71E+10 4.94E+10 4.87E+10 5.14E+10 3.81E+10 3.58E+10 Pyridoxal 2.24E+09 1.55E+09 1.42E+09 2.19E+09 1.67E+09 1.48E+09 2.33E+09 2.35E+09 1.51E+09 1.55E+09 2.26E+09 2.37E+09 1.57E+09 1.55E+09 1.69E+09 1.65E+09 1.40E+09 1.58E+09 2.58E+09 2.10E+09 1.49E+09 1.57E+09 2.49E+09 2.22E+09 1.30E+09 1.57E+09 2.17E+09 1.74E+09 1.61E+09 1.58E+09 3.30E+09 2.45E+09 1.28E+09 Pyridoxamine 7.06E+06 9.97E+06 6.24E+06 7.30E+06 9.75E+06 8.84E+06 8.19E+06 8.58E+06 8.88E+06 1.33E+07 1.02E+07 1.03E+07 1.03E+07 1.17E+07 7.80E+06 9.17E+06 1.16E+07 1.25E+07 1.00E+07 1.03E+07 9.42E+06 1.38E+07 1.16E+07 1.19E+07 1.37E+07 1.08E+07 9.65E+06 1.11E+07 9.96E+06 9.81E+06 1.18E+07 1.19E+07 1.10E+07 Pyridoxine 6.47E+06 7.04E+06 3.06E+06 5.88E+06 8.09E+06 6.23E+06 6.17E+06 7.05E+06 5.85E+06 6.23E+06 6.68E+06 5.67E+06 6.40E+06 5.31E+06 4.37E+06 4.96E+06 5.75E+06 6.13E+06 6.26E+06 4.68E+06 6.42E+06 7.37E+06 6.99E+06 6.89E+06 5.50E+06 7.35E+06 7.44E+06 5.83E+06 7.96E+06 8.90E+06 1.14E+07 9.68E+06 6.13E+06 Quinoline 1.69E+07 1.47E+07 1.40E+07 1.76E+07 2.17E+07 2.08E+07 1.62E+07 1.74E+07 1.62E+07 1.78E+07 1.93E+07 1.91E+07 1.95E+07 1.93E+07 1.69E+07 1.85E+07 1.65E+07 1.87E+07 2.00E+07 1.77E+07 1.96E+07 1.88E+07 1.93E+07 2.08E+07 1.93E+07 1.84E+07 2.17E+07 1.88E+07 2.17E+07 2.08E+07 2.63E+07 2.43E+07 1.96E+07 S-Acetylthioethanolamine 5.33E+06 2.44E+06 3.65E+06 3.76E+06 2.35E+06 2.21E+06 2.46E+06 3.41E+06 2.19E+06 1.94E+06 4.75E+06 3.54E+06 2.19E+06 2.63E+06 3.35E+06 3.39E+06 2.02E+06 1.71E+06 3.74E+06 3.78E+06 1.57E+06 1.42E+06 3.29E+06 3.02E+06 2.41E+06 2.33E+06 3.84E+06 3.63E+06 1.48E+06 2.47E+06 2.54E+06 3.10E+06 2.76E+06 S-Adenosylhomocysteine 1.00E+08 1.40E+08 4.32E+07 1.00E+08 1.67E+08 1.35E+08 8.83E+07 1.26E+08 1.42E+08 1.51E+08 1.22E+08 1.35E+08 1.61E+08 1.46E+08 8.77E+07 1.27E+08 1.81E+08 1.95E+08 1.02E+08 9.29E+07 1.46E+08 1.49E+08 1.05E+08 1.22E+08 1.33E+08 1.03E+08 1.13E+08 9.53E+07 1.58E+08 1.42E+08 7.01E+07 8.11E+07 1.14E+08 S-Adenosylmethionine 9.00E+08 1.12E+09 9.18E+08 1.35E+09 1.80E+09 1.66E+09 1.39E+09 1.59E+09 1.23E+09 1.30E+09 1.56E+09 1.46E+09 1.71E+09 1.72E+09 1.59E+09 1.71E+09 1.31E+09 1.33E+09 1.34E+09 1.33E+09 1.57E+09 1.51E+09 1.62E+09 1.71E+09 1.23E+09 1.20E+09 1.34E+09 1.43E+09 1.72E+09 1.74E+09 1.39E+09 1.50E+09 1.33E+09 Ser-Arg 5.36E+06 3.12E+06 1.17E+07 1.01E+07 8.44E+06 9.12E+06 1.13E+07 7.84E+06 5.78E+06 7.34E+06 9.81E+06 6.95E+06 1.03E+07 1.02E+07 1.18E+07 1.13E+07 6.09E+06 3.73E+06 4.94E+06 7.56E+06 6.06E+06 5.10E+06 5.91E+06 8.18E+06 9.78E+06 9.70E+06 6.81E+06 1.50E+07 1.25E+07 9.70E+06 1.18E+07 1.94E+07 8.52E+06 Serine 1.06E+09 1.07E+09 1.09E+09 1.62E+09 1.52E+09 1.48E+09 1.89E+09 1.93E+09 1.00E+09 1.25E+09 1.60E+09 1.96E+09 1.53E+09 1.33E+09 1.73E+09 2.19E+09 1.13E+09 1.22E+09 1.75E+09 1.46E+09 1.27E+09 1.29E+09 2.05E+09 2.19E+09 1.10E+09 7.64E+08 1.87E+09 1.70E+09 1.35E+09 1.30E+09 2.29E+09 1.98E+09 1.56E+09 SM (d18:1/14:0) 5.02E+08 3.40E+08 6.43E+08 6.61E+08 3.80E+08 5.28E+08 3.56E+08 3.15E+08 4.19E+08 3.64E+08 4.84E+08 4.82E+08 3.09E+08 3.68E+08 4.44E+08 3.42E+08 4.20E+08 3.99E+08 4.64E+08 5.76E+08 4.35E+08 4.46E+08 3.63E+08 4.55E+08 5.84E+08 8.43E+08 7.34E+08 6.17E+08 5.96E+08 7.06E+08 6.54E+08 7.27E+08 3.69E+08 SM (d18:1/16:0) 2.23E+09 1.29E+09 1.97E+09 2.15E+09 1.41E+09 1.82E+09 1.34E+09 1.26E+09 1.39E+09 1.40E+09 1.56E+09 1.41E+09 1.17E+09 1.36E+09 1.49E+09 1.12E+09 1.34E+09 1.21E+09 1.63E+09 1.81E+09 1.30E+09 1.40E+09 1.24E+09 1.50E+09 2.48E+09 2.56E+09 1.88E+09 1.64E+09 1.86E+09 2.47E+09 2.39E+09 2.40E+09 1.19E+09 SM (d18:1/18:0) 1.84E+08 9.20E+07 1.48E+08 1.61E+08 1.29E+08 1.34E+08 1.85E+08 1.56E+08 7.92E+07 1.07E+08 1.35E+08 1.19E+08 1.26E+08 1.29E+08 1.82E+08 1.30E+08 8.75E+07 7.71E+07 1.37E+08 1.39E+08 9.52E+07 9.09E+07 1.24E+08 1.40E+08 1.95E+08 1.40E+08 1.19E+08 1.09E+08 1.23E+08 1.78E+08 2.04E+08 2.08E+08 8.84E+07 SM (d18:1/18:1) 3.92E+08 2.68E+08 4.46E+08 4.87E+08 3.75E+08 4.76E+08 3.90E+08 3.47E+08 3.08E+08 2.91E+08 3.77E+08 3.50E+08 3.33E+08 3.78E+08 4.74E+08 3.42E+08 3.23E+08 2.94E+08 3.63E+08 4.34E+08 3.89E+08 4.12E+08 3.85E+08 4.57E+08 5.04E+08 6.34E+08 5.18E+08 4.80E+08 5.53E+08 6.17E+08 6.49E+08 6.93E+08 3.31E+08 S-Methylthioadenosine 9.49E+08 8.86E+08 6.73E+08 7.55E+08 1.31E+09 1.21E+09 6.31E+08 8.39E+08 9.79E+08 9.11E+08 8.39E+08 6.63E+08 9.72E+08 1.08E+09 8.11E+08 6.98E+08 1.08E+09 1.04E+09 6.83E+08 8.08E+08 8.81E+08 1.04E+09 6.34E+08 8.73E+08 1.06E+09 1.66E+09 9.85E+08 8.71E+08 1.35E+09 1.50E+09 8.31E+08 1.04E+09 1.09E+09 Sphinganine 1.42E+08 1.05E+08 1.59E+08 1.56E+08 1.67E+08 1.82E+08 9.72E+07 1.09E+08 1.30E+08 9.72E+07 1.39E+08 9.03E+07 1.03E+08 1.31E+08 1.25E+08 7.35E+07 9.38E+07 8.53E+07 7.89E+07 1.10E+08 9.32E+07 1.05E+08 6.87E+07 8.69E+07 1.16E+08 1.89E+08 8.64E+07 1.02E+08 1.10E+08 1.25E+08 6.96E+07 1.25E+08 1.00E+08 Sphingosine 5.74E+08 3.87E+08 7.10E+08 7.28E+08 8.26E+08 8.55E+08 4.92E+08 5.56E+08 5.05E+08 4.24E+08 6.36E+08 4.60E+08 4.99E+08 6.04E+08 5.84E+08 4.51E+08 4.55E+08 4.31E+08 3.75E+08 4.96E+08 4.65E+08 4.87E+08 3.61E+08 4.80E+08 5.89E+08 7.23E+08 4.19E+08 5.03E+08 5.23E+08 6.10E+08 3.66E+08 5.80E+08 4.91E+08 Stachydrine 1.75E+08 1.82E+08 8.25E+07 1.39E+08 1.98E+08 1.75E+08 1.44E+08 1.61E+08 1.63E+08 2.00E+08 1.43E+08 1.67E+08 1.88E+08 1.62E+08 1.15E+08 1.56E+08 1.83E+08 2.14E+08 1.50E+08 1.25E+08 1.97E+08 2.12E+08 1.50E+08 1.55E+08 1.71E+08 1.48E+08 1.60E+08 1.38E+08 2.13E+08 1.94E+08 2.03E+08 1.59E+08 1.52E+08 Taurine 3.79E+09 3.66E+09 2.62E+09 3.47E+09 3.41E+09 3.19E+09 2.84E+09 2.83E+09 3.18E+09 3.64E+09 3.46E+09 3.34E+09 3.31E+09 3.46E+09 3.00E+09 3.12E+09 3.75E+09 3.91E+09 3.01E+09 3.14E+09 3.39E+09 3.28E+09 3.07E+09 3.27E+09 3.52E+09 3.46E+09 3.23E+09 3.42E+09 3.12E+09 3.13E+09 2.06E+09 2.52E+09 2.85E+09 Theanine 1.00E+08 1.22E+08 5.33E+07 1.09E+08 1.42E+08 1.15E+08 1.25E+08 1.28E+08 9.87E+07 1.21E+08 1.12E+08 1.42E+08 1.36E+08 1.15E+08 8.89E+07 1.20E+08 9.92E+07 1.19E+08 1.38E+08 9.68E+07 1.35E+08 1.38E+08 1.47E+08 1.45E+08 9.93E+07 6.79E+07 1.37E+08 9.93E+07 1.37E+08 1.21E+08 1.74E+08 1.34E+08 9.68E+07 Thiamine 7.84E+06 8.37E+06 3.58E+06 4.51E+06 8.66E+06 7.52E+06 7.40E+06 9.03E+06 6.63E+06 8.20E+06 7.03E+06 5.66E+06 9.58E+06 9.13E+06 5.91E+06 6.90E+06 7.21E+06 7.05E+06 7.89E+06 5.61E+06 8.64E+06 1.08E+07 7.52E+06 7.48E+06 1.23E+07 1.16E+07 1.05E+07 8.21E+06 1.77E+07 1.48E+07 2.48E+07 1.90E+07 1.35E+07 Thr-Arg 2.53E+06 7.53E+05 4.20E+06 2.96E+06 3.56E+06 3.69E+06 3.04E+06 4.91E+06 2.97E+06 2.60E+06 3.86E+06 1.81E+06 2.85E+06 4.21E+06 4.75E+06 3.87E+06 3.69E+06 1.32E+06 3.10E+06 3.25E+06 3.46E+06 2.26E+06 3.15E+06 3.53E+06 3.50E+06 4.04E+06 3.41E+06 4.02E+06 5.09E+06 5.89E+06 5.57E+06 7.54E+06 3.53E+06 Threonine 4.06E+09 3.83E+09 2.99E+09 3.62E+09 4.54E+09 4.53E+09 3.97E+09 3.96E+09 3.58E+09 4.28E+09 3.62E+09 4.00E+09 4.77E+09 4.35E+09 3.83E+09 4.25E+09 3.85E+09 4.09E+09 4.01E+09 3.47E+09 4.53E+09 4.20E+09 4.21E+09 4.42E+09 3.86E+09 3.36E+09 3.84E+09 3.68E+09 4.47E+09 4.43E+09 4.96E+09 4.47E+09 3.77E+09 Thymidine 8.56E+05 6.00E+05 N/F 8.68E+05 5.52E+05 4.57E+05 9.11E+05 6.25E+05 6.22E+05 7.49E+05 7.01E+05 7.13E+05 1.03E+06 9.31E+05 1.02E+06 9.94E+05 7.49E+05 1.41E+06 7.60E+05 5.20E+05 9.34E+05 1.04E+06 1.07E+06 6.72E+05 3.68E+05 4.21E+05 1.02E+06 6.26E+05 1.29E+06 9.36E+05 1.16E+06 1.61E+06 9.19E+05 Thymidine diphosphate 4.29E+05 3.46E+05 1.25E+06 5.61E+05 3.29E+05 1.70E+06 9.47E+05 5.70E+05 1.06E+06 1.12E+06 1.16E+06 N/F 9.04E+05 2.79E+06 2.96E+06 1.34E+06 8.44E+05 2.18E+06 7.73E+05 1.67E+06 9.64E+05 1.52E+06 3.81E+05 1.04E+06 3.09E+06 1.18E+06 2.06E+06 1.84E+06 7.78E+05 1.93E+06 N/F 1.21E+06 1.48E+06 trans-4-Hydroxyproline 1.95E+08 1.50E+08 1.37E+08 1.32E+08 1.61E+08 1.58E+08 1.73E+08 1.60E+08 1.02E+08 1.67E+08 1.49E+08 1.46E+08 1.82E+08 1.62E+08 1.49E+08 1.49E+08 1.28E+08 1.66E+08 1.92E+08 1.29E+08 1.94E+08 1.83E+08 1.79E+08 1.65E+08 1.39E+08 1.19E+08 1.40E+08 1.27E+08 1.62E+08 1.59E+08 3.91E+08 1.64E+08 1.17E+08 Trigonelline 5.31E+08 6.28E+08 1.69E+08 4.19E+08 7.80E+08 6.12E+08 6.32E+08 8.48E+08 4.33E+08 5.21E+08 4.10E+08 4.58E+08 7.06E+08 6.09E+08 6.78E+08 9.27E+08 5.56E+08 6.34E+08 3.64E+08 3.15E+08 7.55E+08 8.00E+08 1.03E+09 1.03E+09 4.66E+08 4.22E+08 3.99E+08 4.39E+08 8.58E+08 7.97E+08 9.22E+08 8.59E+08 5.48E+08 Tryptophan 1.15E+09 1.28E+09 8.28E+08 1.28E+09 1.79E+09 1.57E+09 1.23E+09 1.37E+09 1.29E+09 1.36E+09 1.28E+09 1.41E+09 1.50E+09 1.33E+09 1.05E+09 1.23E+09 1.22E+09 1.43E+09 1.31E+09 1.02E+09 1.47E+09 1.55E+09 1.34E+09 1.39E+09 1.07E+09 9.13E+08 1.30E+09 1.06E+09 1.45E+09 1.44E+09 1.99E+09 1.51E+09 1.17E+09 Tyr-Arg 1.25E+06 4.60E+06 2.74E+06 2.87E+06 1.55E+06 2.54E+06 2.23E+06 2.46E+06 2.71E+06 1.89E+06 3.62E+06 1.39E+06 2.72E+06 3.97E+06 3.50E+06 2.80E+06 2.19E+06 2.69E+06 5.90E+05 1.22E+06 1.57E+06 1.96E+06 8.23E+05 1.30E+06 3.51E+06 4.32E+06 1.72E+06 3.70E+06 3.81E+06 3.27E+06 7.72E+05 3.92E+06 2.16E+06 Tyrosine 2.01E+09 1.67E+09 1.74E+09 2.00E+09 2.00E+09 2.04E+09 1.85E+09 1.66E+09 1.66E+09 1.82E+09 1.99E+09 1.74E+09 1.93E+09 2.04E+09 1.93E+09 1.84E+09 1.81E+09 1.82E+09 1.33E+09 1.54E+09 1.77E+09 1.76E+09 1.66E+09 1.86E+09 1.63E+09 1.66E+09 1.59E+09 1.85E+09 1.86E+09 1.90E+09 1.17E+09 1.80E+09 1.68E+09 Urocanate 2.89E+07 2.11E+07 6.42E+07 1.90E+07 7.02E+06 7.46E+07 4.39E+07 1.82E+06 9.88E+06 2.27E+07 3.44E+07 1.21E+07 2.36E+07 3.04E+07 1.29E+07 3.36E+07 1.12E+08 8.63E+07 2.48E+07 5.81E+07 1.24E+07 3.67E+07 1.26E+07 1.81E+07 1.58E+08 7.19E+07 7.29E+06 4.13E+07 4.25E+07 9.24E+06 7.95E+06 5.79E+07 1.92E+08 Val-Lys 9.16E+08 3.16E+08 4.58E+08 1.07E+09 1.50E+09 1.28E+09 1.29E+09 1.61E+09 9.56E+08 1.09E+09 1.14E+09 1.31E+09 1.59E+09 1.40E+09 1.29E+09 1.85E+09 1.20E+09 1.37E+09 1.16E+09 1.08E+09 1.77E+09 1.90E+09 2.24E+09 2.25E+09 9.80E+08 8.85E+08 1.30E+09 1.22E+09 1.86E+09 2.04E+09 1.42E+09 1.32E+09 1.25E+09 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG Retention time M/z Formula 1-Aminocyclopropanecarboxylate C01234 7.0 102.0549785 C4H7NO2 1-Methyladenosine C02494 3.0 282.119704 C11H15N5O4 1-Methylhistidine C01152 6.7 170.0924266 C7H11N3O2 1-Phenylethanol C07112 1.7 123.0804649 C8H10O 2-(3-Carboxy-3-aminopropyl)-histidine C04441 6.9 257.124455 C10H16N4O4 2-Quinolinecarboxylate C06325 3.8 174.0549785 C10H7NO2 3-Hydroxycarnitine (4:0) 5.4 248.1492728 C11H21NO5 3-Hydroxycarnitine (5:0) 5.3 262.1649228 C12H23NO5 3-Hydroxycarnitine (6:0) 4.4 276.1805729 C13H25NO5 3-Hydroxycarnitine (8:0) 3.7 304.211873 C15H29NO5 3-Methyladenine C00913 3.5 150.0774452 C6H7N5 4-Acetamidobutanoate C02946 5.2 146.0811932 C6H11NO3 4-Guanidinobutanoate C01035 7.3 146.0924266 C5H11N3O2 4-Imidazoleacetate C02835 6.7 127.0502274 C5H6N2O2 5-Hydroxylysine C16741 12.3 163.1077423 C6H14N2O3 5-Hydroxytryptophan C01017 7.2 221.0920923 C11H12N2O3 5-Methylcytosine C02376 4.4 126.0662119 C5H7N3O 6-Phosphonogluconolactone 11.0 259.0213685 C6H11O9P Acetylaminoadipate 9.0 204.0866725 C8H13NO5 Acetylcarnitine C02571 5.1 204.123058 C9H17NO4 Adenine Adenosine C00212 3.9 268.1040539 C10H13N5O4 Adenosine monophosphate C00020 7.8 348.0703843 C10H14N5O7P ADP-ribose C00301 8.8 560.0789735 C15H23N5O14P2 Agmatine sulfate C00179 12.5 131.129146 C5H14N4 Alanine C00041 7.4 90.05497847 C3H7NO2 Ala-Tyr 4.9 253.118307 C12H16N2O4 Aminoadipate C00956 8.1 162.0761078 C6H11NO4 Aminocaprylate 4.1 160.1332288 C8H17NO2 Aminoisobutanoate C05145 6.8 104.0706285 C4H9NO2 Anserine C01262 7.3 241.1295404 C10H16N4O3 Arg-Ala 8.6 246.1560895 C9H19N5O3 Arginine C00062 13.0 175.1189757 C6H14N4O2 Argininosuccinate C03406 9.2 291.1299 C10H18N4O6 Asparagine C00152 7.8 133.0607921 C4H8N2O3 Aspartylglycosamine 8.5 336.1401647 C12H21N3O8 Asp-Pro 7.7 231.0975716 C9H14N2O5 Betaine C00719 5.1 118.0862786 C5H11NO2 Carnitine C00318 6.7 162.1124934 C7H15NO3 Carnitine (12:0) 2.7 344.2795587 C19H37NO4 Carnitine (14:0) 2.6 372.3108588 C21H41NO4 Carnitine (16:0) C02990 2.5 400.342159 C23H45NO4 Carnitine (16:1) 2.6 398.3265089 C23H43NO4 Carnitine (18:1) 2.0 426.357809 C25H47NO4 Carnitine (3:0) C03017 5.0 218.1387 C10H19NO4 Carnitine (5:0) 3.7 246.1700082 C12H23NO4 Carnitine (6:0) 3.3 260.1856583 C13H25NO4 Carnitine (8:0) C02838 3.0 288.2169584 C15H29NO4 Carnitine (glutaryl) 7.1 276.144189 C12H21NO6 Carnosine C00386 8.0 227.1138903 C9H14N4O3 Ciliatine C03557 8.5 126.0314796 C2H8NO3P Citrulline C00327 7.9 176.1029913 C6H13N3O3 Creatine C00300 7.1 132.0767765 C4H9N3O2 Creatinine C00791 4.0 114.0662119 C4H7N3O Cys-Gly C01419 8.0 179.0485129 C5H10N2O3S Cystathionine C02291 8.9 223.0747276 C7H14N2O4S Deoxyadenosine C05198 3.0 252.1091393 C10H13N5O3 Deoxyadenosine diphosphate Deoxycarnitine C01181 6.4 146.11758 C7H15NO2 Deoxyguanosine C00330 5.2 266.0894539 C10H13N5O4 Deoxyguanosine monophosphate C00362 7.0 346.0557843 C10H14N5O7P Deoxyinosine monophosphate Diphthamide C02872 11.3 298.1879147 C13H24N5O3 Formylglycine 6.4 104.034244 C3H5NO3 Gamma-aminobutyrate C00334 7.6 104.0706285 C4H9NO2 Glucose 1-phosphate C00103 9.0 261.0370185 C6H13O9P Glu-Gln 8.5 276.1190353 C10H17N3O6 Glu-Pro 8.3 245.1132216 C10H16N2O5 Glutamate C00025 8.0 148.0604578 C5H9NO4 Glutathione C00051 7.9 308.091106 C10H17N3O6S Glutathione disulfide C00127 10.2 613.1593 C20H32N6O12S2 Glycerophosphocholine C00670 7.4 258.1106 C8H21NO6P Glycine C00037 8.0 76.03932841 C2H5NO2 Guanidinoacetate C00581 7.6 118.0611265 C3H7N3O2 Guanidinosuccinate C03139 8.4 176.0666058 C5H9N3O4 Guanine C00242 5.7 152.0567098 C5H5N5O Guanosine C00387 6.0 282.0843686 C10H13N5O5 Hexosamines C00329 7.5 180.0866725 C6H13NO5 Histamine C00388 12.3 112.0869473 C5H9N3 Histidine C00135 7.9 156.0767765 C6H9N3O2 Homoarginine C01924 11.9 189.1346 C7H16N4O2 Hypotaurine C00519 7.4 110.0270492 C2H7NO2S Hypoxanthine C00262 4.6 137.0458108 C5H4N4O Indole C00463 1.8 118.0651492 C8H7N Indole-3-acrylate 5.8 188.0706285 C11H9NO2 Isoleucine C00407 5.4 132.1019287 C6H13NO2 Kynurenate C01717 3.9 190.0498931 C10H7NO3 Kynurenine C00328 5.3 209.0920923 C10H12N2O3 Leucine C00123 5.2 132.1019287 C6H13NO2 Leu-Leu 1.9 245.1859926 C12H24N2O3 Leu-Pro 4.5 229.1546925 C11H20N2O3 Lysine C00047 12.7 147.1128277 C6H14N2O2 Lyso-PC (16:0) 2.0 496.3397895 C24H50NO7P Lyso-PC (17:0) 2.0 510.3554395 C25H52NO7P Lyso-PC (18:0) 2.0 524.3710896 C26H54NO7P Lyso-PC (18:1) 2.0 522.3554395 C26H52NO7P Lyso-PC (18:2) 2.0 520.3397895 C26H50NO7P Lyso-PC (22:4) 2.0 572.3710896 C30H54NO7P Lyso-PE (16:0) 2.0 454.2928393 C21H44NO7P Lyso-PE (18:0) 2.0 482.3241394 C23H48NO7P Lyso-PE (18:1) 2.0 480.3084893 C23H46NO7P Lyso-PE (20:4) 2.0 502.2928393 C25H44NO7P Methionine C00073 5.7 150.0583493 C5H11NO2S Methyl 4-aminobutyrate C00334 6.3 118.08628 C5H11NO2 Met-Leu 3.2 263.1424133 C11H22N2O3S N,N,N-Trimethyllysine C03793 11.3 189.1597779 C9H20N2O2 N,N-Dimethylarginine C03626 10.8 203.150276 C8H18N4O2 N,N-Dimethyllysine 10.7 175.1441278 C8H18N2O2 N6-(delta2-Isopentenyl)-adenine C04083 5.4 204.124395 C10H13N5 N-Acetylglutamate C00624 8.4 190.0710225 C7H11NO5 N-Acetylhexosamine C00140 5.5 222.0972372 C8H15NO6 N-Acetylneuraminate C00270 7.5 310.1132812 C11H19NO9 NAD+ C00003 7.7 664.11642 C21H27N7O14P2 NADP+ C00006 10.1 744.082752 C21H28N7O17P3 N-alpha-Acetyllysine C12989 7.4 189.1233924 C8H16N2O3 Nicotinamide C00153 2.5 123.0553128 C6H6N2O Nicotinamide mononucleotide C00455 8.0 335.063902 C11H15N2O8P N-Methylglutamate C01046 7.2 162.076109 C6H11NO4 O-Acetylserine C00979 5.9 148.0604578 C5H9NO4 Oleamide C19670 2.0 282.2791647 C18H35NO Ornithine C00077 12.1 133.0971776 C5H12N2O2 O-Succinyl homoserine C01118 7.4 220.0815872 C8H13NO6 Pantothenate C00864 5.1 220.1179727 C9H17NO5 PC (32:0) 1.3 734.5694551 C40H80NO8P PC (32:1) 1.3 732.553805 C40H78NO8P PC (32:2) 1.3 730.5381549 C40H76NO8P PC (34:1) 1.3 760.5851051 C42H82NO8P PC (34:2) 1.3 758.5694551 C42H80NO8P PC (36:1) 1.3 788.6164052 C44H86NO8P PC (36:2) 1.3 786.6007552 C44H84NO8P PC (36:4) 1.3 782.5694551 C44H80NO8P PC (36:5) 1.3 780.553805 C44H78NO8P PC (38:4) 1.3 810.6007552 C46H84NO8P PC (38:5) 1.3 808.5851051 C46H82NO8P PC (40:4) 1.3 838.6320553 C48H88NO8P PC (40:5) 1.3 836.6164052 C48H86NO8P PC (40:6) 1.3 834.6007552 C48H84NO8P PC (40:8) 1.3 830.5694551 C48H80NO8P PC (44:8) 1.3 886.6320553 C52H88NO8P PE (32:0) 1.3 692.5225053 C37H74NO8P PE (34:1) 1.3 718.5381554 C39H76NO8P PE (34:2) 1.3 716.5225053 C39H74NO8P PE (36:1) 1.3 746.5694555 C41H80NO8P PE (36:2) 1.3 744.553805 C41H78NO8P PE (36:3) 1.3 742.5381549 C41H76NO8P PE (38:1) 1.3 774.6007552 C43H84NO8P PE (38:3) 1.3 770.5694551 C43H80NO8P PE (38:4) 1.3 768.553805 C43H78NO8P PE (38:6) 1.3 764.5225049 C43H74NO8P PE (40:5) 1.3 794.5694551 C45H80NO8P PE (40:7) 1.3 790.5381549 C45H76NO8P Phenylalanine C02057 5.1 166.0862786 C9H11NO2 Phosphoethanolamine C00346 8.4 142.0263943 C2H8NO4P Phosphorylcholine C00588 8.2 184.07334 C5H14NO4P Phosphoserine C01005 9.3 186.0162235 C3H8NO6P Pipecolate C00408 5.9 130.0862786 C6H11NO2 Platelet-activating factor C04598 1.6 524.3710896 C26H54NO7P Proline C16435 6.0 116.0706285 C5H9NO2 Pyridoxal C00250 2.8 168.0655432 C8H9NO3 Pyridoxamine C00534 5.9 169.0971776 C8H12N2O2 Pyridoxine C00314 2.8 170.0811932 C8H11NO3 Quinoline C06413 6.0 130.0651492 C9H7N S-Acetylthioethanolamine C03537 6.0 120.0478 C4H9NOS S-Adenosylhomocysteine C00021 7.0 385.1288885 C14H20N6O5S S-Adenosylmethionine C00019 8.8 399.14454 C15H22N6O5S Ser-Arg 8.5 262.1510041 C9H19N5O4 Serine C00065 7.9 106.0498931 C3H7NO3 SM (d18:1/14:0) 1.5 675.5435747 C37H75N2O6P SM (d18:1/16:0) 1.5 703.5748748 C39H79N2O6P SM (d18:1/18:0) 1.5 731.6061754 C41H83N2O6P SM (d18:1/18:1) 1.5 729.5905248 C41H81N2O6P S-Methylthioadenosine C00170 2.8 298.0968601 C11H15N5O3S Sphinganine C00836 2.8 302.3053795 C18H39NO2 Sphingosine C00319 2.5 300.2897 C18H37NO2 Stachydrine C10172 5.0 144.1019287 C7H13NO2 Taurine C00245 7.5 126.0219638 C2H7NO3S Theanine C01047 6.8 175.1077423 C7H14N2O3 Thiamine C00378 8.1 265.1118 C12H17N4OS Thr-Arg 8.0 276.1666542 C10H21N5O4 Threonine C00188 7.3 120.0655432 C4H9NO3 Thymidine C00214 2.8 243.0975716 C10H14N2O5 Thymidine diphosphate trans-4-Hydroxyproline C01157 7.0 132.0655432 C5H9NO3 Trigonelline C01004 9.0 138.0549785 C7H7NO2 Tryptophan C00078 5.7 205.0971776 C11H12N2O2 Tyr-Arg 7.1 338.1823042 C15H23N5O4 Tyrosine C01536 6.5 182.0811932 C9H11NO3 Urocanate C00785 6.4 139.0502274 C6H6N2O2 Val-Lys 11.6 246.1812416 C11H23N3O3 METABOLITES_END #END