#METABOLOMICS WORKBENCH Kazuya_Ohno_20220418_003737 DATATRACK_ID:3207 STUDY_ID:ST002153 ANALYSIS_ID:AN003526 PROJECT_ID:PR001366 VERSION 1 CREATED_ON April 19, 2022, 12:02 am #PROJECT PR:PROJECT_TITLE Improvement of cognitive function by B. breve MCC1274 and elucidation of its PR:PROJECT_TITLE mechanism of action PR:PROJECT_SUMMARY Although many studies have suggested that probiotics could modulate various PR:PROJECT_SUMMARY brain functions via the gut-brain axis, little is known about the mechanism PR:PROJECT_SUMMARY underlying this process. We previously reported the beneficial effects of a PR:PROJECT_SUMMARY probiotic strain, Bifidobacterium breve MCC1274, on cognitive function in PR:PROJECT_SUMMARY preclinical and clinical studies. Recently, we showed that administration of PR:PROJECT_SUMMARY this strain reduced amyloid-beta production, inhibited microglial activation, PR:PROJECT_SUMMARY and suppressed inflammatory responses in the brains of APP knock-in (AppNL-G-F) PR:PROJECT_SUMMARY mice. To elucidate the mechanism of action of this probiotic strain in an PR:PROJECT_SUMMARY Alzheimer's disease-like model, we orally fed 3-month-old mice with B. breve PR:PROJECT_SUMMARY MCC1274 or saline for 4 months and comprehensively investigated metabolites in PR:PROJECT_SUMMARY plasma using CE-FTMS and LC-TOFMS. PR:INSTITUTE Morinaga milk industry CO., LTD. PR:DEPARTMENT Next generation science institute PR:LABORATORY Frontier research section PR:LAST_NAME Ohno PR:FIRST_NAME Kazuya PR:ADDRESS 1-83 5-Chome Higashihara, Zama-city, Kanagawa-Pref. Japan PR:EMAIL kazuya-oono443@morinagamilk.co.jp PR:PHONE 81462523067 #STUDY ST:STUDY_TITLE Data from plasma metabolome analysis of APP-KI and Wild type mice treated with ST:STUDY_TITLE B. breve MCC1274 ST:STUDY_SUMMARY Recently, we showed that administration of B. breve MCC1274 reduced amyloid-beta ST:STUDY_SUMMARY production, inhibited microglial activation, and suppressed inflammatory ST:STUDY_SUMMARY responses in the brains of APP knock-in (AppNL-G-F) mice. To elucidate the ST:STUDY_SUMMARY mechanism of action of this probiotic strain in an Alzheimer's disease-like ST:STUDY_SUMMARY model, we orally fed 3-month-old mice with B. breve MCC1274 or saline for 4 ST:STUDY_SUMMARY months and comprehensively investigated metabolites in plasma using CE-FTMS and ST:STUDY_SUMMARY LC-TOFMS. ST:INSTITUTE Morinaga milk industry CO., LTD. ST:DEPARTMENT Next generation science institute ST:LABORATORY Frontier research section ST:LAST_NAME Ohno ST:FIRST_NAME Kazuya ST:ADDRESS 1-83 5-Chome Higashihara, Zama-city, Kanagawa-Pref. Japan ST:EMAIL kazuya-oono443@morinagamilk.co.jp ST:PHONE 81462523067 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN AppNL-G-F or wild type mice SU:AGE_OR_AGE_RANGE 7 months old SU:GENDER Male and female SU:ANIMAL_ANIMAL_SUPPLIER RIKEN Center for Brain Science SU:ANIMAL_LIGHT_CYCLE 12 hours light and dark cycle #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 - WC-1 Model:Wild type | Intervention:Saline SUBJECT_SAMPLE_FACTORS - WC-2 Model:Wild type | Intervention:Saline SUBJECT_SAMPLE_FACTORS - WC-3 Model:Wild type | Intervention:Saline SUBJECT_SAMPLE_FACTORS - WC-4 Model:Wild type | Intervention:Saline SUBJECT_SAMPLE_FACTORS - WT-1 Model:Wild type | Intervention:B. breve MCC1274 SUBJECT_SAMPLE_FACTORS - WT-2 Model:Wild type | Intervention:B. breve MCC1274 SUBJECT_SAMPLE_FACTORS - WT-3 Model:Wild type | Intervention:B. breve MCC1274 SUBJECT_SAMPLE_FACTORS - WT-4 Model:Wild type | Intervention:B. breve MCC1274 SUBJECT_SAMPLE_FACTORS - AC-1 Model:Alzheimer’s disease model | Intervention:Saline SUBJECT_SAMPLE_FACTORS - AC-2 Model:Alzheimer’s disease model | Intervention:Saline SUBJECT_SAMPLE_FACTORS - AC-3 Model:Alzheimer’s disease model | Intervention:Saline SUBJECT_SAMPLE_FACTORS - AC-4 Model:Alzheimer’s disease model | Intervention:Saline SUBJECT_SAMPLE_FACTORS - AT-1 Model:Alzheimer’s disease model | Intervention:B. breve MCC1274 SUBJECT_SAMPLE_FACTORS - AT-2 Model:Alzheimer’s disease model | Intervention:B. breve MCC1274 SUBJECT_SAMPLE_FACTORS - AT-3 Model:Alzheimer’s disease model | Intervention:B. breve MCC1274 SUBJECT_SAMPLE_FACTORS - AT-4 Model:Alzheimer’s disease model | Intervention:B. breve MCC1274 #COLLECTION CO:COLLECTION_SUMMARY Plasma samples were obtained from AD-like model and wild-type mice orally CO:COLLECTION_SUMMARY administered B. breve MCC1274 or saline for 4 months. CO:SAMPLE_TYPE Blood (plasma) CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Three-month-old AppNL-G-F and wild type mice were randomly assigned to a vehicle TR:TREATMENT_SUMMARY group and a probiotic group. The vehicle group received saline, and the TR:TREATMENT_SUMMARY probiotic group received B. breve MCC1274 (1 × 10＾9 cfu/200 μl saline/mouse) TR:TREATMENT_SUMMARY orally 5 times a week for 4 months. TR:TREATMENT_COMPOUND Bifidobacterium breve MCC1274 TR:TREATMENT_ROUTE oral administration TR:TREATMENT_DOSEVOLUME 1 × 10＾9 cfu/200 μl saline TR:TREATMENT_VEHICLE saline #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For CE-FTMS, 40 µL of plasma was added to 160 µL of methanol containing SP:SAMPLEPREP_SUMMARY internal standards at 0°C, 120 µL of Milli-Q water was added and mixed SP:SAMPLEPREP_SUMMARY thoroughly, and 240 µL of this mixture was added to a Millipore 5 kDa cutoff SP:SAMPLEPREP_SUMMARY filter (ULTRAFREE MC PLHCC, HMT) at 9100 × g for 120 min at 4°C to remove SP:SAMPLEPREP_SUMMARY macromolecules. The filtrate was evaporated to dryness under vacuum, dissolved SP:SAMPLEPREP_SUMMARY in 40 µL Milli-Q water, and donated to HMT's ω Scan package using capillary SP:SAMPLEPREP_SUMMARY electrophoresis Fourier transform mass spectrometry (CE-FTMS).For LC-TOFMS, 80 SP:SAMPLEPREP_SUMMARY µL of plasma was added to 240 µL of 1% formic acid/acetonitrile containing SP:SAMPLEPREP_SUMMARY internal standards at 0ºC. The mixture was centrifuged at 2,300 x g, 4ºC for 5 SP:SAMPLEPREP_SUMMARY min, then centrifuged at 2,300 x g, 4ºC for 5 min, followed by centrifugation SP:SAMPLEPREP_SUMMARY of a hybrid SPE phospholipid cartridge (30 mg/mL of hybrid SPE-phospholipid, 30 SP:SAMPLEPREP_SUMMARY mg/mL of (SUPELCO) and filtered to remove phospholipids. The filtrate was then SP:SAMPLEPREP_SUMMARY evaporated to dryness under nitrogen, dissolved in 80 μL of 50% isopropanol SP:SAMPLEPREP_SUMMARY (v/v), and metabolomic analysis was performed using liquid chromatography SP:SAMPLEPREP_SUMMARY time-of-flight mass spectrometry (LC-TOFMS). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Normal phase CH:INSTRUMENT_NAME Agilent 1260 CH:COLUMN_NAME fused silica capillary (50 μm i.d. × 80 cm total length; Polymicro CH:COLUMN_NAME Technologies, Inc., Phoenix, AZ) CH:SOLVENT_A commercial electrophoresis buffer (H3301-1001 and I3302-1023 for cation and CH:SOLVENT_A anion analyses, respectively, HMT) CH:INTERNAL_STANDARD H3304-1002, Human Metabolome Technologies, Inc. (HMT), Tsuruoka, Yamagata, Japan #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS The spectrometer was scanned from m/z 60 to 900 in positive mode, and from m/z MS:MS_COMMENTS 70 to 1,050 in negative mode #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples WC-1 WC-2 WC-3 WC-4 WT-1 WT-2 WT-3 WT-4 AC-1 AC-2 AC-3 AC-4 AT-1 AT-2 AT-3 AT-4 Factors Model:Wild type | Intervention:Saline Model:Wild type | Intervention:Saline Model:Wild type | Intervention:Saline Model:Wild type | Intervention:Saline Model:Wild type | Intervention:B. breve MCC1274 Model:Wild type | Intervention:B. breve MCC1274 Model:Wild type | Intervention:B. breve MCC1274 Model:Wild type | Intervention:B. breve MCC1274 Model:Alzheimer’s disease model | Intervention:Saline Model:Alzheimer’s disease model | Intervention:Saline Model:Alzheimer’s disease model | Intervention:Saline Model:Alzheimer’s disease model | Intervention:Saline Model:Alzheimer’s disease model | Intervention:B. breve MCC1274 Model:Alzheimer’s disease model | Intervention:B. breve MCC1274 Model:Alzheimer’s disease model | Intervention:B. breve MCC1274 Model:Alzheimer’s disease model | Intervention:B. breve MCC1274 1-Methyl-4-imidazoleacetic acid 7.7E-04 5.4E-04 5.8E-04 8.0E-04 6.5E-04 5.3E-04 6.8E-04 9.9E-04 7.2E-04 6.5E-04 5.6E-04 1.0E-03 8.5E-04 7.8E-04 7.0E-04 5.2E-04 1-Methyladenosine 6.6E-04 4.7E-04 5.8E-04 5.6E-04 4.2E-04 3.2E-04 4.9E-04 5.1E-04 3.4E-04 3.2E-04 3.4E-04 5.8E-04 5.2E-04 5.9E-04 4.7E-04 3.9E-04 1-Methylhistamine 1.2E-04 1.1E-04 4.1E-05 7.0E-05 6.9E-05 6.8E-05 6.0E-05 2.7E-04 1.0E-04 1.4E-04 2.6E-04 1.0E-04 1.1E-04 9.2E-05 1.0E-04 6.6E-05 "1-Methylhydantoin Glycine anhydride" 4.5E-03 2.9E-03 3.1E-03 3.6E-03 5.7E-03 3.8E-03 3.8E-03 6.3E-03 6.4E-03 4.7E-03 3.5E-03 4.5E-03 3.5E-03 5.2E-03 4.8E-03 4.5E-03 1-Methylnicotinamide 1.1E-03 8.3E-04 1.2E-03 1.2E-03 3.5E-04 2.7E-04 4.9E-04 1.8E-03 1.4E-03 6.6E-04 5.1E-04 1.8E-03 7.0E-04 8.1E-04 4.4E-04 3.1E-04 1-Methyluric acid 7.4E-05 5.8E-05 8.0E-05 7.9E-05 9.1E-05 N.D. 8.9E-05 9.2E-05 4.4E-05 N.D. 4.6E-05 8.7E-05 9.2E-05 1.1E-04 5.6E-05 5.5E-05 10-Hydroxydecanoic acid 6.1E-05 5.4E-05 1.3E-04 4.3E-05 1.1E-04 7.9E-05 1.1E-04 6.9E-05 2.1E-04 N.D. 4.0E-05 8.3E-05 5.2E-05 9.1E-05 8.1E-05 1.1E-04 11-Aminoundecanoic acid 1.9E-04 2.7E-04 1.7E-04 2.4E-04 2.4E-04 2.3E-04 2.5E-04 2.6E-04 2.1E-04 2.2E-04 2.2E-04 2.3E-04 2.9E-04 2.5E-04 2.4E-04 2.1E-04 1H-Imidazole-4-propionic acid 1.1E-04 5.7E-05 5.9E-05 2.3E-04 3.3E-04 1.3E-04 3.9E-04 5.8E-04 1.2E-04 3.2E-04 4.7E-05 1.0E-04 2.7E-04 5.3E-04 2.7E-04 2.0E-04 "2'-Deoxyadenosine 5'-Deoxyadenosine" N.D. N.D. N.D. N.D. N.D. 3.0E-05 N.D. 2.5E-05 N.D. N.D. N.D. N.D. N.D. 1.4E-05 N.D. 8.2E-06 2'-Deoxycytidine 1.6E-03 1.8E-03 1.9E-03 1.3E-03 1.5E-03 1.5E-03 1.2E-03 1.3E-03 1.5E-03 1.5E-03 1.7E-03 1.4E-03 1.4E-03 1.8E-03 1.6E-03 1.4E-03 2'-Deoxyuridine 2.3E-03 1.6E-03 N.D. 2.5E-03 1.4E-03 1.6E-03 1.4E-03 2.0E-03 9.9E-04 8.4E-04 9.0E-04 7.3E-04 4.2E-04 6.9E-04 7.5E-04 8.5E-04 2,3-Diphosphoglyceric acid 6.1E-03 3.1E-03 5.6E-03 9.1E-04 4.2E-03 6.1E-03 3.5E-03 5.3E-03 4.6E-03 2.4E-03 2.8E-03 3.2E-03 1.6E-03 6.0E-03 1.9E-03 1.6E-03 2,5-Dihydroxybenzoic acid 1.4E-04 N.D. N.D. 1.3E-04 1.6E-04 9.9E-05 1.1E-04 1.9E-04 1.3E-04 1.5E-04 9.7E-05 8.1E-05 1.8E-04 1.4E-04 1.6E-04 1.3E-04 2,6-Diaminopimelic acid 9.3E-05 5.1E-05 7.7E-05 2.0E-04 2.1E-04 9.8E-05 1.1E-04 3.6E-04 1.9E-04 3.4E-04 3.9E-05 1.5E-04 2.9E-04 4.4E-04 1.6E-04 2.6E-04 2-(Creatinine-3-yl)propionic acid 1.5E-05 3.2E-05 N.D. 3.4E-05 9.2E-06 1.8E-05 N.D. 2.9E-05 1.9E-05 6.1E-05 5.1E-05 6.2E-05 4.0E-05 3.1E-05 2.7E-05 1.3E-05 2-Amino-2-(hydroxymethyl)-1,3-propanediol 3.8E-04 2.9E-04 3.8E-04 2.4E-04 2.9E-04 3.1E-04 4.3E-04 4.8E-04 2.4E-04 1.7E-04 2.0E-04 2.6E-04 1.9E-04 2.1E-04 2.1E-04 4.4E-04 "2-Aminoadipic acid O-Acetylhomoserine" 8.7E-03 7.7E-03 8.0E-03 9.7E-03 1.0E-02 8.9E-03 1.0E-02 1.6E-02 8.3E-03 1.0E-02 8.7E-03 8.5E-03 1.2E-02 8.5E-03 9.3E-03 9.2E-03 "2-Aminobutyric acid 2-Aminoisobutyric acid" 1.3E-02 6.0E-03 6.3E-03 1.0E-02 1.1E-02 8.2E-03 1.0E-02 1.8E-02 1.1E-02 1.0E-02 7.2E-03 1.1E-02 1.2E-02 1.1E-02 9.6E-03 1.1E-02 2-Hydroxy-4-methylvaleric acid 5.0E-04 1.4E-03 1.3E-03 4.3E-04 7.6E-04 9.1E-04 1.3E-03 5.8E-04 4.5E-04 6.5E-04 1.2E-03 4.2E-04 9.3E-04 7.1E-04 1.2E-03 1.2E-03 2-Hydroxybutyric acid 1.2E-02 6.3E-03 8.3E-03 1.1E-02 1.7E-02 1.2E-02 2.1E-02 2.6E-02 1.2E-02 7.8E-03 5.6E-03 1.1E-02 1.5E-02 1.4E-02 1.3E-02 1.3E-02 2-Hydroxyoctanoic acid N.D. N.D. N.D. 6.9E-05 5.6E-05 N.D. N.D. 8.1E-05 6.7E-05 N.D. N.D. 3.0E-05 1.9E-05 8.9E-05 5.6E-05 N.D. 2-Hydroxyvaleric acid 2.4E-03 7.4E-03 8.1E-03 2.3E-03 5.2E-03 6.9E-03 8.3E-03 2.1E-03 2.5E-03 3.9E-03 8.4E-03 2.3E-03 6.9E-03 4.9E-03 7.6E-03 7.6E-03 2-Isopropylmalic acid N.D. N.D. N.D. N.D. N.D. 8.1E-05 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 2-Methylserine 2.9E-04 3.2E-04 3.3E-04 3.2E-04 2.6E-04 2.7E-04 3.5E-04 3.9E-04 2.5E-04 2.3E-04 1.9E-04 2.9E-04 3.6E-04 3.1E-04 2.7E-04 2.7E-04 2-Oxoglutaric acid 1.1E-02 1.2E-02 1.5E-02 1.2E-02 2.8E-02 2.5E-02 3.2E-02 1.8E-02 1.4E-02 1.9E-02 7.0E-03 5.4E-03 2.7E-02 2.3E-02 3.1E-02 3.0E-02 2-Oxoisovaleric acid 2.3E-03 3.0E-03 2.6E-03 2.4E-03 2.1E-03 2.2E-03 1.8E-03 1.8E-03 1.9E-03 2.5E-03 3.6E-03 2.2E-03 2.8E-03 2.2E-03 1.9E-03 3.4E-03 "3-(4-Hydroxyphenyl)propionic acid 3-(3-Hydroxyphenyl)propionic acid 2-(4-Hydroxyphenyl)propionic acid" N.D. N.D. N.D. N.D. 4.5E-04 2.4E-04 3.9E-04 5.7E-04 4.4E-04 4.5E-04 N.D. 3.1E-04 5.3E-04 3.0E-04 4.5E-04 4.4E-04 3-Amino-2-piperidone 1.3E-04 8.4E-05 8.0E-05 1.6E-04 1.4E-04 1.0E-04 1.1E-04 2.0E-04 1.4E-04 1.4E-04 1.7E-04 1.6E-04 1.7E-04 1.8E-04 1.4E-04 1.4E-04 3-Aminobutyric acid N.D. 1.3E-04 2.1E-04 N.D. N.D. 1.3E-04 N.D. N.D. 1.5E-04 1.9E-04 2.2E-04 N.D. 1.9E-04 N.D. N.D. N.D. 3-Guanidinopropionic acid 2.8E-05 N.D. 3.0E-05 4.7E-05 5.2E-05 3.5E-05 6.8E-05 8.0E-05 2.1E-05 2.7E-05 N.D. N.D. 5.8E-05 4.5E-05 6.1E-05 2.8E-05 3-Hydroxy-2-methyl-4-pyrone 1.5E-01 1.6E-01 1.8E-01 1.5E-01 1.5E-01 1.5E-01 1.9E-01 1.8E-01 1.3E-01 1.3E-01 1.6E-01 1.7E-01 2.0E-01 2.0E-01 1.9E-01 1.8E-01 3-Hydroxy-3-methylglutaric acid 5.2E-04 3.3E-04 5.6E-04 3.4E-04 6.5E-04 6.0E-04 7.8E-04 7.7E-04 3.1E-04 N.D. 2.8E-04 3.8E-04 5.6E-04 7.2E-04 5.2E-04 6.1E-04 3-Hydroxybutyric acid 6.9E-02 1.9E-02 4.8E-02 3.8E-02 4.1E-02 3.8E-02 4.0E-02 6.0E-02 5.7E-02 3.7E-02 1.8E-02 4.8E-02 4.0E-02 5.8E-02 3.4E-02 4.3E-02 3-Hydroxykynurenine 2.1E-04 1.7E-04 9.5E-05 1.6E-04 2.1E-04 2.0E-04 2.1E-04 2.0E-04 1.9E-04 1.7E-04 2.3E-04 1.5E-04 2.6E-04 1.6E-04 2.6E-04 2.5E-04 3-Indoxylsulfuric acid 2.4E-02 8.0E-03 7.3E-03 2.7E-02 2.7E-02 1.0E-02 1.7E-02 5.5E-02 1.6E-02 1.9E-02 7.1E-03 1.9E-02 3.4E-02 2.4E-02 1.5E-02 1.5E-02 3-Methoxytyrosine 2.2E-04 1.5E-04 1.2E-04 1.9E-04 1.4E-04 1.4E-04 1.5E-04 1.6E-04 1.3E-04 1.7E-04 9.5E-05 1.7E-04 1.5E-04 2.2E-04 2.0E-04 1.6E-04 3-Methyladenine 2.1E-05 1.6E-05 N.D. 2.9E-05 2.5E-05 8.6E-06 1.8E-05 7.5E-05 1.4E-05 1.4E-05 9.0E-06 2.2E-05 1.6E-05 1.9E-05 1.5E-05 2.0E-05 3-Methylhistamine 1.4E-04 8.5E-05 3.3E-05 7.5E-05 9.1E-05 9.2E-05 7.8E-05 2.7E-04 6.7E-05 1.0E-04 2.4E-04 1.6E-04 1.5E-04 6.3E-05 8.7E-05 7.0E-05 "3-Methylhistidine 1-Methylhistidine" 2.5E-02 3.9E-02 3.8E-02 2.4E-02 2.0E-02 2.4E-02 2.9E-02 2.0E-02 2.0E-02 3.0E-02 4.8E-02 3.2E-02 3.6E-02 2.9E-02 3.3E-02 3.1E-02 3-Phenylpropionic acid 1.6E-03 1.6E-03 8.6E-04 1.2E-03 4.1E-03 3.5E-03 2.7E-03 2.4E-03 3.8E-03 5.5E-03 2.7E-03 3.3E-03 4.3E-03 2.9E-03 6.4E-03 6.7E-03 3-Phosphoglyceric acid 3.2E-04 5.4E-04 5.6E-04 4.3E-04 4.1E-04 6.7E-04 1.9E-04 7.6E-04 4.8E-04 5.5E-04 9.6E-04 4.9E-04 N.D. 5.5E-04 5.8E-04 3.6E-04 3-Ureidopropionic acid 3.0E-04 1.7E-04 1.5E-04 2.0E-04 3.1E-04 2.0E-04 2.4E-04 4.7E-04 1.8E-04 2.1E-04 1.8E-04 2.2E-04 2.2E-04 2.5E-04 1.9E-04 1.5E-04 4-(β-Acetylaminoethyl)imidazole 4.8E-06 N.D. 4.7E-06 N.D. 1.7E-05 4.8E-06 1.9E-05 1.6E-05 N.D. N.D. 5.2E-06 8.3E-06 5.2E-06 N.D. N.D. N.D. 4-Acetamidobutanoic acid 2.2E-03 1.7E-03 3.2E-03 2.0E-03 4.5E-03 3.6E-03 1.8E-02 4.4E-03 9.2E-04 7.6E-04 1.8E-04 2.0E-03 1.0E-02 3.6E-03 3.4E-03 1.6E-03 4-Aminohippuric acid 8.2E-05 5.4E-05 1.3E-04 8.5E-05 1.1E-04 5.8E-05 6.7E-05 1.0E-04 5.7E-05 3.4E-05 1.6E-05 4.4E-05 1.1E-04 1.2E-04 9.5E-05 8.1E-05 4-Guanidinobutyric acid 3.9E-03 1.7E-03 1.7E-03 4.5E-03 6.0E-03 4.6E-03 9.9E-03 8.5E-03 2.1E-03 1.2E-03 7.7E-04 3.2E-03 6.5E-03 4.6E-03 4.8E-03 3.1E-03 4-Hydroxy-3-methoxyphenylglycol sulfate 1.9E-04 4.7E-05 8.2E-05 1.2E-04 9.6E-05 N.D. 6.8E-05 2.1E-04 9.8E-05 6.9E-05 N.D. 8.7E-05 1.0E-04 1.2E-04 6.1E-05 7.6E-05 "4-Methyl-2-oxovaleric acid 3-Methyl-2-oxovaleric acid 2-Oxohexanoic acid" 7.5E-03 8.2E-03 8.6E-03 6.5E-03 6.4E-03 7.4E-03 6.4E-03 6.7E-03 7.9E-03 8.6E-03 1.2E-02 7.3E-03 1.0E-02 6.8E-03 6.3E-03 9.8E-03 4-Methyl-5-thiazoleethanol 9.3E-06 2.0E-05 9.3E-06 9.1E-06 2.9E-05 2.7E-05 2.0E-05 N.D. 4.9E-05 4.1E-05 2.8E-05 1.9E-05 2.4E-05 3.1E-05 4.7E-05 6.1E-05 4-Oxopyrrolidine-2-carboxylic acid 4.7E-03 6.2E-03 4.5E-03 6.8E-03 1.0E-02 8.2E-03 6.6E-03 7.5E-03 1.4E-02 1.1E-02 8.8E-03 7.4E-03 9.2E-03 7.9E-03 1.2E-02 1.2E-02 4-Pyridoxic acid 2.2E-04 1.0E-04 1.7E-04 1.6E-04 2.3E-04 1.9E-04 4.0E-04 4.8E-04 1.9E-04 1.9E-04 N.D. 1.7E-04 2.8E-04 2.6E-04 2.2E-04 1.4E-04 5'-Deoxy-5'-methylthioadenosine 5.3E-05 6.9E-05 8.1E-05 5.4E-05 6.4E-05 8.7E-05 7.5E-05 9.4E-05 6.0E-05 6.4E-05 6.4E-05 6.3E-05 7.4E-05 9.9E-05 7.4E-05 6.1E-05 5-Amino-4-oxovaleric acid 2.1E-04 2.3E-04 2.4E-04 1.9E-04 1.8E-04 2.9E-04 3.9E-04 2.7E-04 1.6E-04 1.8E-04 2.0E-04 2.0E-04 3.3E-04 3.1E-04 2.6E-04 2.3E-04 5-Aminoindole N.D. N.D. N.D. N.D. N.D. N.D. 1.6E-05 N.D. N.D. 4.4E-05 8.5E-05 4.7E-05 1.0E-04 N.D. 7.2E-05 3.6E-05 5-Aminovaleric acid N.D. N.D. N.D. N.D. N.D. N.D. 5.3E-03 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 5-Hydroxyindoleacetic acid 5.2E-05 N.D. N.D. 8.6E-05 N.D. N.D. N.D. 6.6E-05 7.0E-05 3.9E-05 N.D. N.D. N.D. N.D. N.D. N.D. 5-Hydroxylysine 1.5E-03 1.9E-03 1.2E-03 1.8E-03 1.7E-03 1.5E-03 1.9E-03 2.3E-03 1.5E-03 2.0E-03 3.2E-03 1.5E-03 2.1E-03 1.7E-03 1.6E-03 1.6E-03 5-Hydroxypentanoic acid N.D. 4.5E-04 N.D. N.D. 9.3E-04 7.0E-04 N.D. 1.1E-03 N.D. 6.5E-04 N.D. N.D. 8.3E-04 N.D. 7.1E-04 N.D. "5-Methoxyindoleacetic acid Indole-3-lactic acid" 9.7E-04 6.8E-04 6.3E-04 8.9E-04 1.1E-03 8.5E-04 1.1E-03 1.6E-03 9.9E-04 1.1E-03 5.9E-04 9.6E-04 1.1E-03 1.2E-03 8.4E-04 7.8E-04 5-Methyl-2'-deoxycytidine 2.0E-04 2.1E-04 2.3E-04 2.0E-04 1.7E-04 1.5E-04 1.4E-04 1.5E-04 1.7E-04 1.9E-04 1.6E-04 1.6E-04 1.4E-04 2.1E-04 1.6E-04 1.4E-04 5-Methylcytosine 3.4E-05 1.8E-05 1.2E-05 3.7E-05 3.2E-05 2.7E-05 6.6E-05 9.5E-05 1.8E-05 2.4E-05 N.D. 1.4E-05 1.7E-05 1.2E-05 3.2E-05 1.3E-05 5-Oxoproline 2.7E-03 2.1E-03 2.1E-03 2.3E-03 3.1E-03 3.1E-03 2.9E-03 3.6E-03 2.6E-03 4.1E-03 2.8E-03 2.7E-03 3.0E-03 3.3E-03 3.0E-03 3.3E-03 6-Aminohexanoic acid N.D. 2.0E-03 2.7E-03 1.7E-04 1.3E-03 1.7E-03 2.9E-03 N.D. N.D. 4.6E-04 2.0E-03 N.D. 1.4E-03 7.6E-04 1.9E-03 1.6E-03 6-Hydroxyhexanoic acid 3.5E-04 1.2E-04 1.7E-04 2.5E-04 N.D. 2.3E-04 3.7E-04 2.8E-04 6.4E-04 2.3E-04 1.3E-04 3.8E-04 3.0E-04 3.3E-04 2.3E-04 3.0E-04 6-Phosphogluconic acid N.D. N.D. 1.0E-04 N.D. N.D. 4.7E-05 N.D. 1.7E-04 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 7,8-Dihydrobiopterin 3.4E-04 3.3E-04 4.5E-04 2.8E-04 4.1E-04 4.1E-04 4.6E-04 6.0E-04 3.1E-04 3.3E-04 3.0E-04 4.3E-04 5.2E-04 4.5E-04 3.9E-04 3.8E-04 7-Methylguanine 3.5E-04 2.4E-04 3.4E-04 2.9E-04 2.4E-04 2.3E-04 2.6E-04 3.7E-04 2.6E-04 2.4E-04 1.8E-04 3.4E-04 2.7E-04 3.3E-04 2.7E-04 2.3E-04 8-Hydroxyoctanoic acid 1.6E-04 9.8E-05 2.0E-04 1.2E-04 1.9E-04 1.5E-04 1.6E-04 1.7E-04 3.5E-04 1.1E-04 N.D. 1.5E-04 1.2E-04 1.9E-04 1.8E-04 1.7E-04 Acetoacetamide 5.1E-04 6.8E-04 4.7E-04 5.1E-04 5.0E-04 4.6E-04 5.5E-04 5.6E-04 4.3E-04 6.6E-04 5.8E-04 5.1E-04 7.1E-04 6.1E-04 4.6E-04 4.0E-04 Acetoacetic acid 9.3E-04 N.D. N.D. 7.0E-04 N.D. 6.8E-04 N.D. 7.7E-04 8.9E-04 7.5E-04 N.D. 7.9E-04 6.7E-04 8.3E-04 5.9E-04 9.0E-04 Adenosine 2.5E-05 1.5E-05 1.4E-05 5.3E-05 4.0E-05 2.9E-05 8.7E-05 9.5E-05 2.2E-05 1.7E-05 N.D. 3.9E-05 1.9E-05 3.1E-05 6.8E-05 2.5E-05 Adipic acid N.D. N.D. N.D. N.D. N.D. N.D. 5.8E-04 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. ADMA 3.7E-03 3.1E-03 2.8E-03 3.6E-03 2.7E-03 2.4E-03 2.3E-03 2.9E-03 3.7E-03 3.8E-03 3.4E-03 4.3E-03 3.4E-03 3.8E-03 3.4E-03 3.2E-03 ADP 1.8E-03 5.7E-04 2.4E-04 4.1E-04 7.1E-04 1.1E-03 5.2E-04 3.9E-03 6.0E-04 1.2E-03 1.7E-03 1.2E-03 1.0E-03 9.0E-04 7.4E-04 7.0E-04 ADP-ribose 1.2E-04 6.5E-05 9.4E-05 1.6E-04 9.7E-05 1.1E-04 1.1E-04 3.9E-04 N.D. N.D. N.D. N.D. N.D. 8.0E-05 7.1E-05 N.D. Adrenaline 2.5E-05 N.D. N.D. N.D. 3.8E-05 4.1E-05 1.2E-04 4.0E-05 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Ala 2.0E-01 2.5E-01 1.5E-01 1.9E-01 1.7E-01 1.6E-01 1.8E-01 2.1E-01 3.0E-01 2.8E-01 3.4E-01 2.1E-01 2.6E-01 2.0E-01 2.8E-01 2.5E-01 Albizziine N.D. 1.2E-05 2.5E-05 9.5E-06 N.D. N.D. N.D. N.D. N.D. N.D. 5.9E-05 N.D. N.D. 8.9E-06 N.D. N.D. Allantoic acid N.D. 3.1E-05 N.D. N.D. N.D. N.D. 3.5E-05 6.1E-05 N.D. N.D. N.D. 4.9E-05 6.4E-05 N.D. 6.1E-05 N.D. Allantoin 2.5E-02 2.7E-02 2.7E-02 2.3E-02 1.8E-02 1.7E-02 2.0E-02 2.4E-02 2.2E-02 2.3E-02 3.1E-02 2.7E-02 3.1E-02 3.3E-02 2.8E-02 2.6E-02 AMP 1.1E-03 5.5E-04 3.8E-04 4.3E-04 6.6E-04 6.4E-04 4.6E-04 4.1E-03 5.2E-04 9.7E-04 1.6E-03 8.0E-04 1.0E-03 6.5E-04 6.6E-04 6.0E-04 Anserine_divalent 2.5E-03 7.2E-03 5.7E-03 2.6E-03 3.7E-03 7.0E-03 5.9E-03 3.4E-03 3.6E-03 5.9E-03 1.5E-02 4.3E-03 6.8E-03 4.2E-03 8.6E-03 8.4E-03 Anthranilic acid 1.4E-04 N.D. N.D. N.D. 1.5E-04 N.D. 1.4E-04 1.9E-04 N.D. N.D. N.D. N.D. N.D. 2.0E-04 N.D. 1.6E-04 Arg 2.4E-01 2.2E-01 1.7E-01 2.8E-01 2.3E-01 1.7E-01 2.0E-01 2.5E-01 2.7E-01 3.1E-01 3.5E-01 3.0E-01 2.9E-01 2.5E-01 2.0E-01 1.8E-01 Argininosuccinic acid 8.3E-04 6.2E-04 7.2E-04 7.9E-04 8.1E-04 6.5E-04 8.5E-04 1.1E-03 7.1E-04 7.7E-04 7.2E-04 6.9E-04 1.1E-03 9.7E-04 9.1E-04 6.5E-04 Ascorbate 2-phosphate N.D. 6.8E-05 N.D. 5.3E-05 5.9E-05 N.D. 6.4E-05 N.D. N.D. N.D. N.D. N.D. 7.5E-05 N.D. N.D. N.D. Ascorbate 2-sulfate 2.9E-04 2.8E-04 4.0E-04 2.9E-04 1.8E-04 1.8E-04 1.8E-04 2.8E-04 3.7E-04 2.7E-04 2.1E-04 4.5E-04 2.9E-04 3.2E-04 1.9E-04 2.4E-04 Asn 4.0E-02 4.5E-02 2.9E-02 4.1E-02 5.6E-02 4.2E-02 2.6E-02 3.1E-02 9.4E-02 7.5E-02 5.8E-02 4.5E-02 4.5E-02 5.1E-02 7.9E-02 7.4E-02 Asp 3.9E-03 7.2E-03 4.5E-03 6.2E-03 8.2E-03 7.5E-03 4.8E-03 8.0E-03 1.7E-02 1.9E-02 1.1E-02 6.8E-03 9.1E-03 7.4E-03 1.5E-02 1.2E-02 ATP 2.5E-03 7.4E-04 5.9E-04 5.0E-04 1.0E-03 1.3E-03 8.6E-04 3.3E-03 7.7E-04 1.2E-03 1.9E-03 1.5E-03 1.5E-03 1.2E-03 1.0E-03 8.7E-04 Azelaic acid 3.0E-04 1.5E-04 N.D. 2.5E-04 2.6E-04 2.0E-04 2.0E-04 3.8E-04 2.2E-04 2.0E-04 1.8E-04 N.D. 2.8E-04 2.8E-04 3.2E-04 2.1E-04 Azetidine 2-carboxylic acid N.D. N.D. N.D. N.D. N.D. 1.5E-04 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Betaine 2.3E-01 2.3E-01 1.9E-01 2.2E-01 2.4E-01 2.0E-01 2.1E-01 2.5E-01 4.1E-01 3.6E-01 3.2E-01 3.1E-01 2.7E-01 2.8E-01 3.4E-01 3.3E-01 Betonicine 2.7E-04 2.7E-04 1.9E-04 2.5E-04 1.8E-04 2.1E-04 N.D. 2.6E-04 3.3E-04 3.8E-04 2.8E-04 2.9E-04 3.1E-04 3.3E-04 3.5E-04 2.4E-04 Biopterin 4.2E-05 N.D. 2.1E-05 2.3E-05 1.2E-05 8.7E-06 2.7E-05 6.6E-05 2.2E-05 2.3E-05 2.7E-05 3.7E-05 3.7E-05 2.6E-05 2.7E-05 2.3E-05 "Butyric acid Isobutyric acid" N.D. N.D. N.D. N.D. 4.2E-03 2.7E-03 1.5E-03 N.D. 3.1E-03 2.4E-03 N.D. N.D. 7.9E-04 1.2E-03 2.4E-03 5.9E-03 Butyrylcarnitine 1.2E-02 6.3E-03 8.6E-03 1.4E-02 1.9E-02 1.7E-02 3.6E-02 3.2E-02 6.6E-03 5.1E-03 2.0E-03 1.4E-02 2.2E-02 1.9E-02 1.4E-02 1.5E-02 cAMP 3.3E-05 5.5E-05 N.D. 5.8E-05 N.D. 3.6E-05 N.D. 4.3E-05 9.4E-05 1.2E-04 1.1E-04 1.2E-04 9.2E-05 N.D. 6.4E-05 8.3E-05 Carboxymethyllysine 9.1E-04 7.3E-04 7.3E-04 7.6E-04 9.6E-04 8.7E-04 8.8E-04 1.4E-03 1.0E-03 9.7E-04 7.2E-04 1.1E-03 1.6E-03 1.2E-03 1.1E-03 1.1E-03 Carnitine 1.2E-01 1.5E-01 1.1E-01 1.2E-01 1.2E-01 1.2E-01 1.3E-01 1.6E-01 1.4E-01 1.6E-01 1.8E-01 1.7E-01 1.7E-01 1.5E-01 1.6E-01 1.6E-01 Carnosine 6.9E-04 9.5E-04 7.0E-04 5.1E-04 6.8E-04 9.3E-04 6.7E-04 9.2E-04 7.2E-04 9.7E-04 2.0E-03 1.0E-03 9.7E-04 8.0E-04 1.1E-03 1.3E-03 Cholic acid 9.1E-04 1.4E-04 5.7E-04 1.1E-03 2.4E-02 9.1E-04 4.4E-04 1.6E-03 7.2E-03 2.1E-02 6.0E-04 8.2E-04 1.1E-03 3.1E-03 1.3E-02 1.5E-02 Choline 9.7E-02 1.0E-01 1.3E-01 9.0E-02 1.0E-01 8.4E-02 1.5E-01 1.0E-01 9.1E-02 7.4E-02 5.9E-02 9.0E-02 1.3E-01 1.0E-01 1.3E-01 1.1E-01 cis-Aconitic acid 1.1E-02 8.6E-03 1.0E-02 1.0E-02 1.2E-02 1.2E-02 1.4E-02 1.7E-02 1.1E-02 1.2E-02 9.2E-03 1.1E-02 1.7E-02 1.6E-02 1.6E-02 1.4E-02 Citric acid 2.3E-01 1.9E-01 2.4E-01 2.0E-01 2.6E-01 2.6E-01 3.0E-01 2.7E-01 2.3E-01 2.6E-01 1.7E-01 2.0E-01 3.4E-01 3.1E-01 2.8E-01 3.1E-01 Citrulline 1.4E-01 9.6E-02 8.9E-02 1.2E-01 1.0E-01 8.8E-02 8.6E-02 1.2E-01 1.3E-01 1.2E-01 9.2E-02 1.3E-01 1.2E-01 1.3E-01 1.4E-01 1.1E-01 CMP N.D. N.D. N.D. N.D. N.D. N.D. N.D. 2.8E-05 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. CMP-N-acetylneuraminate 1.7E-04 3.6E-04 1.1E-03 2.5E-04 8.9E-04 7.2E-04 1.8E-03 8.8E-04 7.6E-05 6.8E-05 N.D. 2.3E-04 7.6E-04 7.2E-04 8.3E-04 5.1E-04 Creatine 3.0E-01 3.2E-01 2.4E-01 3.0E-01 2.7E-01 2.7E-01 2.3E-01 2.7E-01 3.3E-01 3.5E-01 5.1E-01 4.0E-01 4.1E-01 3.9E-01 4.1E-01 3.6E-01 Creatinine 2.8E-02 2.3E-02 2.4E-02 2.3E-02 2.3E-02 2.4E-02 2.6E-02 2.9E-02 2.6E-02 2.5E-02 2.7E-02 3.2E-02 3.4E-02 3.3E-02 3.1E-02 2.9E-02 Cys N.D. 8.8E-05 1.6E-04 N.D. 3.6E-05 6.6E-05 2.8E-05 N.D. N.D. N.D. 1.7E-04 N.D. N.D. N.D. 1.1E-04 1.1E-04 Cystathionine 2.9E-03 3.5E-03 3.2E-03 3.0E-03 2.7E-03 2.3E-03 2.5E-03 2.8E-03 2.3E-03 2.7E-03 2.6E-03 2.7E-03 3.1E-03 3.2E-03 3.9E-03 3.3E-03 Cysteine glutathione disulfide 2.0E-02 2.9E-02 5.0E-02 2.1E-02 3.1E-02 2.8E-02 4.1E-02 3.7E-02 1.5E-02 1.2E-02 8.1E-03 2.1E-02 3.4E-02 2.8E-02 3.3E-02 3.3E-02 Cystine 9.6E-03 2.5E-02 3.9E-02 7.4E-03 1.5E-02 1.6E-02 1.1E-02 8.6E-03 1.5E-02 2.6E-02 5.6E-02 1.3E-02 1.3E-02 7.9E-03 2.2E-02 2.9E-02 Cytidine 6.9E-03 8.6E-03 1.2E-02 6.0E-03 8.5E-03 8.8E-03 1.0E-02 6.5E-03 7.7E-03 5.7E-03 5.9E-03 8.3E-03 8.9E-03 9.6E-03 1.1E-02 9.4E-03 Decarboxylated S-Adenosylmethionine 9.8E-06 2.6E-05 4.0E-05 N.D. 2.5E-05 3.7E-05 7.4E-05 N.D. 6.4E-06 1.7E-05 N.D. N.D. 6.0E-05 N.D. 3.0E-05 4.3E-05 dGDP 5.1E-05 6.2E-05 7.3E-05 4.0E-05 3.3E-05 6.4E-05 4.2E-05 4.6E-05 8.0E-05 2.7E-05 5.1E-05 5.7E-05 1.0E-04 8.9E-05 5.7E-05 6.2E-05 Diethanolamine 3.1E-03 5.6E-03 5.6E-03 2.4E-03 2.5E-03 6.0E-03 5.6E-03 2.9E-03 4.6E-03 3.8E-03 1.4E-02 4.3E-03 1.9E-02 3.3E-03 4.6E-03 7.2E-03 Dihydroorotic acid N.D. N.D. N.D. N.D. 4.3E-05 N.D. N.D. 7.0E-05 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Dihydroxyacetone phosphate N.D. 1.8E-04 N.D. 1.0E-04 1.6E-04 2.1E-04 N.D. 2.8E-04 1.8E-04 1.7E-04 2.0E-04 1.7E-04 2.6E-04 2.8E-04 1.7E-04 2.4E-04 Dodecanedioic acid N.D. N.D. N.D. N.D. 1.1E-04 N.D. N.D. 9.1E-05 1.1E-04 N.D. N.D. N.D. 4.6E-05 N.D. 8.6E-05 8.2E-05 Ectoine 6.1E-03 3.0E-03 1.9E-03 7.1E-03 3.3E-03 2.5E-03 3.6E-03 5.4E-03 3.3E-03 6.7E-03 4.7E-03 4.3E-03 5.8E-03 4.2E-03 3.8E-03 3.1E-03 Ergothioneine N.D. 6.6E-05 N.D. N.D. 4.9E-05 4.9E-04 N.D. 1.3E-04 6.7E-04 N.D. N.D. N.D. N.D. 6.6E-05 N.D. 4.5E-05 Ethanolamine 1.1E-03 1.5E-03 1.2E-03 1.0E-03 1.3E-03 1.1E-03 9.2E-04 1.3E-03 2.3E-03 1.6E-03 1.8E-03 1.6E-03 1.9E-03 1.8E-03 1.8E-03 1.9E-03 Ethanolamine phosphate 6.3E-04 1.0E-03 5.5E-04 7.4E-04 7.4E-04 9.2E-04 5.1E-04 9.6E-04 1.2E-03 1.8E-03 2.0E-03 1.3E-03 1.2E-03 6.4E-04 8.9E-04 1.0E-03 Ethionine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 1.8E-05 N.D. N.D. N.D. N.D. N.D. N.D. Ethyl glucuronide 8.7E-04 9.4E-04 9.6E-04 7.6E-04 7.3E-04 1.6E-03 1.5E-03 5.1E-04 1.1E-03 1.1E-03 1.6E-03 7.2E-04 8.8E-04 9.3E-04 1.2E-03 1.0E-03 FAD_divalent 1.1E-04 7.0E-05 1.6E-04 1.1E-04 1.3E-04 1.1E-04 1.4E-04 1.3E-04 5.8E-05 8.9E-05 2.3E-04 1.1E-04 9.5E-05 7.2E-05 1.1E-04 1.3E-04 Ferulic acid 1.5E-04 N.D. N.D. 1.1E-04 1.5E-04 N.D. N.D. 1.5E-04 1.2E-04 6.3E-05 N.D. 2.8E-05 1.4E-04 7.7E-05 9.7E-05 6.5E-05 Formiminoglutamic acid 3.3E-05 N.D. 2.3E-05 6.1E-05 6.1E-05 N.D. N.D. 5.2E-05 N.D. 6.3E-05 2.9E-05 N.D. 6.7E-05 N.D. 2.9E-05 N.D. Formylanthranilic acid 5.9E-05 N.D. N.D. 7.1E-05 9.7E-05 N.D. N.D. 8.3E-05 6.8E-05 N.D. N.D. 5.5E-05 6.9E-05 8.9E-05 4.8E-05 N.D. Fructose 6-phosphate 8.4E-05 N.D. 2.5E-04 2.0E-04 2.1E-04 2.4E-04 1.9E-04 5.1E-04 1.4E-04 2.2E-04 2.2E-04 2.6E-04 3.4E-04 2.7E-04 2.9E-04 1.0E-04 Fumaric acid N.D. N.D. N.D. N.D. 2.8E-03 N.D. 3.4E-03 3.3E-03 2.5E-03 N.D. N.D. N.D. 2.7E-03 N.D. 3.3E-03 N.D. Galacturonic acid 1.8E-04 4.0E-04 5.0E-04 3.3E-04 4.1E-04 5.4E-04 9.5E-04 6.3E-04 2.0E-04 3.4E-04 4.3E-04 3.6E-04 6.5E-04 3.0E-04 3.7E-04 3.3E-04 GDP 2.3E-04 4.9E-05 N.D. N.D. 8.3E-05 1.1E-04 N.D. 4.4E-04 N.D. 1.2E-04 1.7E-04 1.2E-04 1.4E-04 9.3E-05 N.D. N.D. Gibberellic acid N.D. N.D. N.D. N.D. N.D. N.D. N.D. 1.2E-05 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Gln 7.7E-01 6.6E-01 6.7E-01 6.8E-01 7.1E-01 6.4E-01 7.1E-01 6.3E-01 7.6E-01 8.3E-01 7.2E-01 8.7E-01 8.3E-01 9.2E-01 9.5E-01 9.6E-01 Glu 2.8E-02 5.0E-02 3.9E-02 4.1E-02 7.7E-02 6.9E-02 5.7E-02 6.4E-02 1.0E-01 8.7E-02 7.9E-02 5.4E-02 7.9E-02 6.4E-02 1.1E-01 1.1E-01 Glucaric acid 6.5E-04 6.7E-04 4.6E-04 7.9E-04 5.1E-04 6.5E-04 8.4E-04 7.3E-04 6.6E-04 6.2E-04 6.2E-04 5.8E-04 8.1E-04 6.6E-04 3.8E-04 4.8E-04 Gluconic acid 1.2E-02 2.3E-02 3.1E-02 1.2E-02 2.2E-02 3.6E-02 6.8E-02 2.5E-02 1.0E-02 1.5E-02 2.0E-02 1.4E-02 3.4E-02 2.1E-02 2.2E-02 2.0E-02 Gluconolactone 3.6E-03 6.9E-03 1.1E-02 3.4E-03 6.3E-03 1.1E-02 2.0E-02 7.5E-03 2.8E-03 4.0E-03 5.9E-03 4.1E-03 1.1E-02 6.5E-03 7.2E-03 6.0E-03 "Glucosamine Galactosamine" 4.0E-04 4.1E-04 4.1E-04 5.8E-04 5.1E-04 4.4E-04 4.2E-04 5.3E-04 5.3E-04 5.8E-04 4.5E-04 5.0E-04 5.4E-04 5.1E-04 6.0E-04 4.5E-04 Glucosaminic acid 2.8E-05 N.D. 1.9E-05 N.D. N.D. N.D. N.D. 4.1E-05 3.1E-05 3.4E-05 3.0E-05 4.0E-05 4.1E-05 3.8E-05 N.D. N.D. Glucose 1-phosphate 1.2E-04 3.7E-04 N.D. 2.3E-04 3.6E-04 4.1E-04 5.1E-04 3.9E-04 1.6E-04 2.8E-04 3.0E-04 3.0E-04 4.6E-04 3.0E-04 3.5E-04 2.3E-04 Glucose 6-phosphate 7.2E-04 1.5E-03 1.8E-03 1.4E-03 1.8E-03 1.8E-03 2.3E-03 3.8E-03 1.1E-03 1.3E-03 1.6E-03 1.6E-03 2.3E-03 1.6E-03 1.5E-03 1.1E-03 Glucuronic acid 9.8E-04 2.0E-03 2.9E-03 1.1E-03 1.7E-03 2.0E-03 3.6E-03 1.6E-03 1.1E-03 1.4E-03 1.5E-03 1.2E-03 2.6E-03 1.5E-03 1.9E-03 1.7E-03 Glutathione (GSH) N.D. 1.9E-04 3.8E-04 N.D. 1.9E-04 3.2E-04 1.7E-04 N.D. 1.5E-05 N.D. 3.2E-05 N.D. 3.3E-05 3.4E-05 4.8E-04 3.4E-04 Glutathione (GSSG)_divalent 5.2E-02 1.1E-01 2.6E-01 7.8E-02 2.4E-01 2.4E-01 5.1E-01 2.7E-01 2.7E-02 2.0E-02 6.8E-03 7.5E-02 2.9E-01 2.2E-01 2.6E-01 1.7E-01 Gly 7.4E-02 9.1E-02 6.5E-02 7.7E-02 7.2E-02 7.2E-02 7.0E-02 6.6E-02 1.3E-01 1.3E-01 1.2E-01 9.7E-02 1.2E-01 9.4E-02 9.8E-02 1.1E-01 Gly-Asp 1.9E-04 1.8E-04 1.9E-04 2.2E-04 2.3E-04 1.9E-04 1.9E-04 2.7E-04 1.8E-04 2.1E-04 1.7E-04 2.0E-04 2.6E-04 2.9E-04 2.7E-04 2.0E-04 Gly-Gly 1.6E-04 1.0E-04 1.4E-04 1.6E-04 1.2E-04 9.9E-05 1.4E-04 1.7E-04 1.3E-04 1.1E-04 1.0E-04 1.5E-04 1.6E-04 1.7E-04 1.7E-04 1.0E-04 Glyceric acid 1.6E-03 1.8E-03 1.3E-03 1.8E-03 1.8E-03 1.8E-03 1.9E-03 1.9E-03 1.7E-03 2.0E-03 2.1E-03 1.7E-03 2.4E-03 2.0E-03 1.6E-03 2.0E-03 Glycerol 2.7E-01 1.4E-01 1.2E-01 2.2E-01 1.4E-01 1.6E-01 1.2E-01 1.2E-01 1.9E-01 1.2E-01 1.9E-01 2.1E-01 2.6E-01 2.3E-01 1.5E-01 2.5E-01 Glycerol 3-phosphate 2.4E-03 5.4E-03 6.1E-03 3.0E-03 3.8E-03 4.5E-03 7.3E-03 5.0E-03 3.5E-03 5.9E-03 5.6E-03 4.0E-03 6.3E-03 3.8E-03 5.4E-03 3.7E-03 Glycerophosphocholine 1.4E-01 1.2E-01 1.3E-01 1.2E-01 7.9E-02 9.6E-02 1.0E-01 1.6E-01 8.8E-02 1.1E-01 1.4E-01 1.4E-01 1.4E-01 1.1E-01 1.0E-01 9.8E-02 Glycocholic acid N.D. N.D. N.D. N.D. 2.3E-04 N.D. N.D. N.D. 2.9E-04 1.8E-04 N.D. N.D. N.D. 1.6E-04 1.9E-04 1.4E-04 Glycolic acid 5.5E-03 4.7E-03 3.8E-03 4.6E-03 5.0E-03 5.2E-03 6.6E-03 4.6E-03 4.2E-03 4.9E-03 5.4E-03 4.4E-03 5.1E-03 4.7E-03 4.5E-03 5.6E-03 Glyoxylic acid 4.6E-04 3.3E-04 N.D. N.D. 4.0E-04 3.5E-04 4.1E-04 5.0E-04 4.3E-04 3.6E-04 2.7E-04 N.D. 4.7E-04 3.5E-04 3.0E-04 4.4E-04 GMP 9.2E-05 N.D. N.D. 6.0E-05 4.9E-05 5.3E-05 N.D. 5.3E-04 5.6E-05 9.5E-05 1.0E-04 7.1E-05 8.3E-05 6.7E-05 5.0E-05 5.4E-05 GTP 3.0E-04 N.D. N.D. N.D. 9.8E-05 1.1E-04 N.D. 4.0E-04 7.1E-05 1.1E-04 2.5E-04 1.2E-04 4.5E-05 1.4E-04 8.1E-05 N.D. Guanidinosuccinic acid 7.5E-04 7.4E-04 1.2E-03 1.1E-03 5.3E-04 5.3E-04 8.2E-04 1.2E-03 7.8E-04 8.6E-04 1.4E-04 1.5E-03 1.5E-03 8.2E-04 6.3E-04 3.9E-04 Guanidoacetic acid 4.4E-03 5.1E-03 4.0E-03 5.4E-03 7.3E-03 5.8E-03 4.3E-03 6.0E-03 1.2E-02 1.1E-02 7.2E-03 7.7E-03 6.1E-03 7.2E-03 6.2E-03 6.9E-03 Guanine N.D. N.D. N.D. N.D. N.D. 8.1E-06 N.D. 1.2E-05 N.D. N.D. N.D. N.D. N.D. N.D. 3.6E-05 N.D. Hexamine 5.0E-06 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 1.1E-05 N.D. N.D. 2.5E-05 N.D. Hippuric acid 2.9E-03 1.1E-03 2.2E-03 2.7E-03 4.4E-03 2.4E-03 3.8E-03 6.1E-03 2.3E-03 1.6E-03 9.2E-04 2.4E-03 4.8E-03 3.1E-03 3.0E-03 3.0E-03 His 1.6E-01 1.7E-01 1.5E-01 1.5E-01 1.8E-01 1.5E-01 1.5E-01 2.0E-01 2.5E-01 2.1E-01 1.8E-01 2.0E-01 1.9E-01 2.1E-01 2.3E-01 2.3E-01 His-Glu N.D. 4.6E-06 N.D. N.D. 7.9E-06 N.D. 5.7E-06 N.D. 5.9E-06 5.5E-06 1.1E-05 N.D. 6.5E-06 N.D. N.D. N.D. Histamine 1.0E-04 1.4E-04 8.0E-05 1.3E-04 9.6E-05 6.7E-05 3.2E-05 1.9E-04 1.0E-04 1.0E-04 2.1E-04 1.1E-04 7.9E-05 6.2E-05 9.2E-05 7.1E-05 Homoarginine 1.1E-03 4.3E-04 4.7E-04 1.2E-03 7.0E-04 4.9E-04 5.4E-04 1.1E-03 7.1E-04 7.9E-04 8.7E-04 1.1E-03 5.9E-04 9.1E-04 4.9E-04 5.0E-04 Homocarnosine 2.9E-04 1.0E-03 6.3E-04 3.0E-04 5.5E-04 9.6E-04 7.1E-04 4.1E-04 4.5E-04 8.6E-04 1.8E-03 4.5E-04 7.9E-04 5.5E-04 1.1E-03 1.1E-03 Homocitrulline 1.8E-03 1.9E-03 1.4E-03 1.6E-03 1.3E-03 1.4E-03 1.5E-03 1.7E-03 2.1E-03 2.8E-03 2.6E-03 2.8E-03 2.8E-03 2.3E-03 2.4E-03 2.1E-03 Homocystine 1.8E-05 N.D. N.D. 1.3E-05 6.4E-06 N.D. 1.0E-05 1.9E-05 N.D. 1.2E-05 8.6E-06 9.2E-06 1.2E-05 N.D. N.D. N.D. Homoserine 9.2E-04 1.1E-03 8.3E-04 9.1E-04 1.1E-03 9.6E-04 1.1E-03 1.2E-03 1.1E-03 1.3E-03 1.1E-03 1.1E-03 1.2E-03 1.1E-03 1.1E-03 1.0E-03 Homoserinelactone N.D. 1.5E-04 2.1E-04 8.6E-05 N.D. 1.3E-04 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. "Homovanillic acid 3,4-Dihydroxyhydrocinnamic acid Hydroxyphenyllactic acid" 1.2E-03 1.2E-03 1.8E-03 1.6E-03 2.0E-03 1.6E-03 2.7E-03 2.5E-03 1.3E-03 1.0E-03 4.7E-04 1.2E-03 2.1E-03 2.4E-03 1.8E-03 1.5E-03 Hydroxyindole 2.7E-04 2.2E-04 3.8E-05 1.9E-04 7.1E-04 4.1E-04 3.4E-04 2.1E-04 5.3E-04 3.8E-04 2.2E-04 1.1E-04 3.2E-04 6.1E-04 4.9E-04 7.6E-04 Hydroxyproline 2.1E-02 4.1E-02 3.0E-02 2.0E-02 2.4E-02 2.9E-02 2.5E-02 2.1E-02 2.1E-02 3.9E-02 5.5E-02 2.1E-02 2.9E-02 2.4E-02 2.9E-02 3.2E-02 Hypotaurine 1.8E-03 3.3E-03 2.6E-03 2.3E-03 1.2E-02 8.9E-03 9.1E-03 4.8E-03 5.0E-03 3.5E-03 1.5E-03 1.4E-03 5.5E-03 6.3E-03 7.9E-03 8.5E-03 Hypoxanthine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 2.9E-05 Ile 3.5E-01 3.3E-01 3.3E-01 3.7E-01 3.3E-01 2.7E-01 3.5E-01 4.0E-01 4.1E-01 3.9E-01 3.3E-01 4.2E-01 4.5E-01 3.7E-01 4.4E-01 3.7E-01 Imidazole-4-acetic acid 1.3E-04 1.9E-04 1.6E-04 1.5E-04 2.0E-04 1.8E-04 2.0E-04 1.9E-04 2.1E-04 1.7E-04 2.0E-04 1.4E-04 2.6E-04 2.2E-04 2.5E-04 2.2E-04 Imidazolelactic acid 1.3E-04 8.6E-04 1.0E-03 1.4E-04 4.0E-04 5.7E-04 8.3E-04 2.5E-04 1.8E-04 2.6E-04 4.2E-04 1.5E-04 9.4E-04 5.0E-04 8.3E-04 7.9E-04 IMP N.D. 1.3E-04 N.D. N.D. N.D. 6.2E-05 N.D. N.D. 9.9E-05 7.7E-05 1.6E-04 N.D. 1.2E-04 N.D. N.D. 1.0E-04 Indole-3-acetic acid 1.3E-04 4.4E-05 N.D. 6.6E-05 1.4E-04 7.6E-05 8.1E-05 2.1E-04 1.7E-04 1.4E-04 7.4E-05 9.9E-05 8.7E-05 1.2E-04 1.7E-04 1.3E-04 Indole-3-carboxylic acid 7.3E-05 4.2E-05 N.D. 8.9E-05 N.D. N.D. N.D. 1.1E-04 1.3E-04 N.D. N.D. N.D. 1.1E-04 8.2E-05 6.4E-05 7.9E-05 Indole-3-propionic acid 3.2E-04 3.8E-04 6.0E-04 3.1E-04 7.7E-04 5.4E-04 7.9E-04 6.6E-04 3.2E-04 6.0E-04 3.7E-04 4.7E-04 7.9E-04 5.9E-04 4.8E-04 7.3E-04 Inosine N.D. N.D. N.D. 1.8E-05 N.D. N.D. 2.7E-05 1.9E-05 N.D. N.D. N.D. N.D. 4.5E-05 N.D. 6.0E-05 7.0E-05 Isatin N.D. N.D. N.D. N.D. 8.0E-04 N.D. 7.3E-04 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Isethionic acid 4.4E-03 5.7E-03 6.0E-03 4.0E-03 3.7E-03 5.0E-03 3.8E-03 5.7E-03 7.8E-03 6.8E-03 4.3E-03 8.0E-03 7.3E-03 6.9E-03 6.3E-03 5.6E-03 Isobutyrylcarnitine 3.8E-03 1.2E-03 2.2E-03 2.6E-03 4.8E-03 3.0E-03 8.0E-03 4.2E-03 1.5E-03 1.2E-03 7.3E-04 2.4E-03 5.1E-03 4.0E-03 3.1E-03 2.5E-03 Isocitric acid 1.1E-02 1.1E-02 1.2E-02 1.3E-02 1.4E-02 1.5E-02 1.4E-02 2.5E-02 1.1E-02 1.5E-02 1.3E-02 1.3E-02 2.0E-02 1.9E-02 1.7E-02 1.5E-02 Isoglutamic acid N.D. N.D. N.D. 1.2E-04 N.D. 8.8E-05 N.D. 2.2E-04 2.0E-04 1.8E-04 N.D. 1.4E-04 N.D. 9.5E-05 9.1E-05 N.D. "Isovaleric acid Valeric acid DL-2-Methylbutyric acid" N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 1.0E-03 N.D. N.D. N.D. N.D. N.D. N.D. N.D. Isovalerylalanine 7.2E-04 5.4E-04 9.8E-04 7.9E-04 7.6E-04 7.4E-04 7.3E-04 1.3E-03 8.9E-04 6.8E-04 3.5E-04 6.4E-04 1.1E-03 7.3E-04 1.1E-03 7.9E-04 Isovalerylcarnitine 1.0E-03 5.5E-04 5.0E-04 9.4E-04 1.6E-03 1.0E-03 1.7E-03 2.4E-03 9.0E-04 7.7E-04 6.5E-04 1.1E-03 1.3E-03 1.3E-03 1.2E-03 1.4E-03 Kynurenic acid 5.7E-05 N.D. 3.9E-05 5.4E-05 1.0E-04 N.D. 1.3E-04 1.7E-04 7.7E-05 N.D. N.D. N.D. 1.2E-04 8.9E-05 8.8E-05 9.8E-05 Kynurenine 6.6E-03 2.1E-03 1.7E-03 4.5E-03 3.5E-03 2.6E-03 2.4E-03 5.1E-03 3.9E-03 3.6E-03 1.7E-03 4.7E-03 4.3E-03 4.4E-03 3.3E-03 3.3E-03 Lactic acid 8.8E-01 9.4E-01 1.2E+00 9.5E-01 1.1E+00 1.0E+00 1.6E+00 1.2E+00 7.9E-01 7.7E-01 7.0E-01 7.5E-01 1.2E+00 1.0E+00 1.1E+00 9.3E-01 Lauric acid 4.1E-03 4.9E-03 4.9E-03 4.0E-03 4.5E-03 4.9E-03 6.2E-03 3.8E-03 5.1E-03 5.2E-03 5.3E-03 4.2E-03 5.5E-03 4.7E-03 3.7E-03 4.9E-03 Lauroylcarnitine 1.3E-04 7.3E-05 8.2E-05 7.1E-05 8.1E-05 9.1E-05 8.4E-05 1.2E-04 6.7E-05 3.2E-05 3.3E-05 9.8E-05 4.0E-05 1.3E-04 8.8E-05 7.2E-05 Leu 6.4E-01 6.4E-01 6.1E-01 6.6E-01 5.8E-01 4.7E-01 6.5E-01 7.1E-01 6.2E-01 7.3E-01 5.9E-01 7.3E-01 7.9E-01 6.4E-01 8.1E-01 6.4E-01 Lipoamide 1.1E-04 4.8E-05 3.6E-05 2.0E-04 3.7E-05 4.8E-05 2.3E-05 1.1E-04 1.5E-04 2.4E-04 1.1E-04 8.9E-05 2.5E-05 2.2E-05 4.3E-05 N.D. Lys 4.0E-01 3.4E-01 2.7E-01 4.4E-01 2.8E-01 2.3E-01 2.9E-01 3.6E-01 3.5E-01 5.1E-01 5.2E-01 4.6E-01 4.3E-01 3.9E-01 3.7E-01 3.4E-01 Malic acid 4.3E-02 3.8E-02 5.2E-02 4.9E-02 7.6E-02 6.2E-02 8.7E-02 9.4E-02 6.4E-02 5.2E-02 2.2E-02 2.7E-02 7.5E-02 7.5E-02 1.0E-01 7.2E-02 Malonylcarnitine 3.9E-05 N.D. 2.8E-05 7.7E-06 1.1E-05 5.1E-05 2.9E-05 3.8E-05 3.5E-05 6.9E-05 N.D. 2.5E-05 1.3E-05 3.4E-05 4.6E-05 3.5E-05 Mannosamine N.D. N.D. N.D. 8.2E-05 N.D. N.D. N.D. N.D. 4.2E-05 9.9E-05 N.D. N.D. N.D. N.D. N.D. N.D. Met 1.8E-01 2.0E-01 1.1E-01 2.1E-01 1.7E-01 1.3E-01 1.4E-01 2.0E-01 1.9E-01 2.2E-01 2.3E-01 2.0E-01 2.2E-01 1.7E-01 1.5E-01 1.6E-01 Metanephrine 1.8E-05 9.1E-06 1.7E-05 1.4E-05 1.4E-05 1.5E-05 3.0E-05 3.9E-05 N.D. N.D. 8.0E-06 1.8E-05 N.D. 1.1E-05 N.D. N.D. Methionine sulfoxide 1.3E-02 1.0E-02 5.9E-03 1.6E-02 9.9E-03 7.7E-03 1.1E-02 1.3E-02 1.1E-02 1.8E-02 1.4E-02 9.4E-03 1.4E-02 1.1E-02 1.3E-02 1.0E-02 Methyl sulfate N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 4.9E-04 N.D. N.D. N.D. N.D. Methylguanidine 2.0E-05 N.D. 9.1E-06 N.D. N.D. N.D. N.D. 2.3E-05 N.D. N.D. N.D. N.D. 2.8E-05 2.7E-05 3.0E-05 N.D. Mevalonic acid 1.3E-04 1.2E-04 1.4E-04 1.4E-04 1.5E-04 1.5E-04 9.9E-05 2.1E-04 1.7E-04 1.9E-04 1.6E-04 1.3E-04 2.3E-04 1.6E-04 1.8E-04 2.4E-04 Mucic acid N.D. N.D. N.D. 2.6E-05 N.D. N.D. 4.0E-05 6.6E-05 N.D. 8.0E-05 4.1E-05 8.7E-05 1.2E-04 1.0E-04 4.4E-05 7.0E-05 Muscimol 2.4E-04 2.4E-04 1.5E-04 2.2E-04 2.0E-04 2.3E-04 2.4E-04 2.9E-04 2.8E-04 2.3E-04 2.5E-04 2.2E-04 2.2E-04 2.5E-04 2.5E-04 2.6E-04 "myo-Inositol 1-phosphate myo-Inositol 3-phosphate" 1.4E-04 1.8E-04 1.1E-04 1.5E-04 4.9E-05 9.8E-05 N.D. 1.5E-04 1.4E-04 1.9E-04 2.6E-04 1.5E-04 1.1E-04 8.6E-05 1.3E-04 1.3E-04 Myristoleic acid 2.2E-04 2.7E-04 4.9E-04 1.4E-04 3.1E-04 4.3E-04 3.0E-04 3.1E-04 1.9E-04 5.0E-04 2.1E-04 4.7E-04 2.5E-04 6.0E-04 3.9E-04 4.4E-04 N,N-Dimethylglycine 1.9E-02 1.5E-02 1.7E-02 2.3E-02 1.8E-02 1.4E-02 1.5E-02 2.6E-02 1.8E-02 1.8E-02 1.6E-02 2.6E-02 1.9E-02 2.0E-02 2.1E-02 1.9E-02 N-(1-Deoxy-1-fructosyl)valine 1.6E-03 1.5E-03 1.3E-03 1.7E-03 1.5E-03 1.4E-03 1.4E-03 3.6E-03 1.2E-03 2.2E-03 2.1E-03 2.0E-03 2.7E-03 2.3E-03 3.6E-03 2.2E-03 N-Acetyl-β-alanine 2.1E-04 2.1E-04 2.0E-04 3.0E-04 2.7E-04 2.5E-04 3.1E-04 3.1E-04 2.6E-04 1.9E-04 2.3E-04 1.8E-04 4.1E-04 2.8E-04 2.6E-04 1.9E-04 N-Acetylalanine 4.4E-04 4.5E-04 5.9E-04 4.1E-04 4.4E-04 4.2E-04 4.3E-04 4.9E-04 4.3E-04 4.8E-04 3.8E-04 5.2E-04 5.9E-04 5.3E-04 4.5E-04 4.2E-04 N-Acetylasparagine 1.4E-04 1.5E-04 1.7E-04 1.5E-04 2.0E-04 1.6E-04 2.7E-04 1.9E-04 1.6E-04 1.9E-04 1.5E-04 1.2E-04 3.2E-04 2.2E-04 2.1E-04 2.1E-04 N-Acetylaspartic acid 3.5E-04 3.1E-04 3.5E-04 2.9E-04 4.0E-04 3.2E-04 3.8E-04 4.7E-04 2.6E-04 3.3E-04 2.8E-04 1.8E-04 3.6E-04 3.3E-04 2.9E-04 2.9E-04 N-Acetylglucosamine 1-phosphate 2.0E-05 2.1E-04 1.7E-04 9.6E-05 2.1E-04 2.1E-04 9.6E-05 2.4E-04 1.1E-04 2.3E-04 3.2E-04 2.1E-04 2.3E-04 1.2E-04 1.5E-04 1.4E-04 "N-Acetylglucosamine N-Acetylmannosamine N-Acetylgalactosamine" 1.4E-03 1.6E-03 2.2E-03 1.4E-03 1.3E-03 1.6E-03 1.7E-03 1.5E-03 1.5E-03 1.2E-03 1.7E-03 1.5E-03 1.9E-03 1.7E-03 1.6E-03 1.6E-03 N-Acetylglucosylamine 2.5E-05 2.4E-05 3.4E-05 2.6E-05 3.0E-05 2.9E-05 4.0E-05 4.7E-05 N.D. 2.5E-05 2.5E-05 3.0E-05 3.2E-05 3.0E-05 3.7E-05 2.0E-05 N-Acetylglutamic acid 3.7E-04 4.1E-04 5.5E-04 5.8E-04 6.5E-04 5.2E-04 7.0E-04 8.2E-04 3.8E-04 3.9E-04 3.6E-04 2.3E-04 6.7E-04 4.1E-04 4.7E-04 4.0E-04 N-Acetylglutamine 2.4E-04 6.0E-04 1.3E-03 2.4E-04 5.8E-04 4.1E-04 8.9E-04 2.7E-04 2.5E-04 N.D. 3.9E-04 2.8E-04 7.5E-04 5.3E-04 7.5E-04 6.0E-04 N-Acetylglycine 1.4E-03 1.1E-03 2.3E-03 8.9E-04 8.1E-04 1.5E-03 1.6E-03 1.0E-03 1.4E-03 1.2E-03 1.0E-03 1.1E-03 1.3E-03 1.4E-03 1.2E-03 1.6E-03 N-Acetylhistidine 1.4E-03 1.6E-03 2.3E-03 1.5E-03 1.5E-03 1.3E-03 1.7E-03 2.2E-03 1.3E-03 1.2E-03 1.1E-03 1.9E-03 2.0E-03 1.7E-03 2.0E-03 1.5E-03 N-Acetylleucine N.D. 9.0E-04 2.6E-03 5.4E-04 1.5E-03 1.6E-03 5.5E-03 9.4E-04 4.0E-04 2.5E-04 2.2E-04 5.5E-04 2.9E-03 1.4E-03 1.5E-03 1.0E-03 N-Acetyllysine 6.1E-04 9.6E-04 1.0E-03 6.5E-04 1.0E-03 9.4E-04 1.3E-03 1.2E-03 6.6E-04 9.0E-04 7.1E-04 7.1E-04 1.4E-03 1.2E-03 1.1E-03 9.8E-04 N-Acetylmethionine 3.3E-04 2.5E-04 4.7E-04 3.1E-04 3.5E-04 2.8E-04 5.3E-04 4.0E-04 3.0E-04 2.0E-04 1.4E-04 2.1E-04 3.7E-04 3.0E-04 4.0E-04 3.0E-04 N-Acetylmuramic acid N.D. 9.0E-05 8.5E-05 5.5E-05 7.8E-05 N.D. 6.6E-05 5.3E-05 N.D. 8.0E-05 1.5E-04 N.D. 9.8E-05 N.D. 9.8E-05 9.8E-05 N-Acetylneuraminic acid 2.5E-04 2.6E-04 3.6E-04 2.6E-04 2.4E-04 2.3E-04 2.6E-04 2.6E-04 1.9E-04 3.1E-04 2.8E-04 3.2E-04 2.9E-04 2.4E-04 2.5E-04 2.5E-04 N-Acetylornithine 6.4E-05 5.8E-05 6.6E-05 6.9E-05 8.4E-05 9.0E-05 1.0E-04 1.2E-04 5.5E-05 8.4E-05 4.7E-05 4.9E-05 9.4E-05 9.4E-05 9.2E-05 9.2E-05 N-Acetylphenylalanine 9.9E-04 4.8E-04 9.3E-04 8.9E-04 1.6E-03 1.2E-03 2.4E-03 1.9E-03 1.1E-03 6.2E-04 1.8E-04 8.8E-04 2.1E-03 1.6E-03 1.6E-03 1.1E-03 N-Acetylputrescine 3.6E-05 3.7E-05 2.8E-05 3.4E-05 4.5E-05 2.7E-05 2.6E-05 3.7E-05 2.7E-05 2.3E-05 2.0E-05 4.3E-05 3.8E-05 5.0E-05 5.6E-05 3.2E-05 N-Acetylserine 7.0E-04 7.7E-04 1.1E-03 7.3E-04 9.2E-04 8.1E-04 9.8E-04 9.3E-04 7.8E-04 7.2E-04 8.2E-04 7.6E-04 1.1E-03 9.1E-04 9.7E-04 8.0E-04 N-Acetyltryptophan 5.8E-04 4.4E-04 6.1E-04 5.3E-04 6.6E-04 4.9E-04 7.5E-04 7.2E-04 7.5E-04 4.9E-04 1.6E-04 5.1E-04 7.8E-04 7.6E-04 7.4E-04 6.4E-04 N-Acetyltyrosine 1.8E-04 9.8E-05 1.3E-04 2.2E-04 2.5E-04 1.9E-04 9.1E-05 3.6E-04 3.9E-04 2.1E-04 5.8E-05 2.2E-04 2.7E-04 4.2E-04 3.2E-04 2.1E-04 N-Ethylmaleimide_+H2O 8.8E-04 6.9E-04 1.7E-03 6.7E-04 9.4E-04 1.3E-03 1.6E-03 1.3E-03 1.2E-03 6.2E-04 N.D. 7.4E-04 1.1E-03 1.3E-03 1.1E-03 8.6E-04 N-Formylmethionine 1.0E-04 2.9E-04 4.5E-04 1.2E-04 3.6E-04 2.6E-04 5.0E-04 2.0E-04 7.5E-05 N.D. 1.4E-04 1.1E-04 2.8E-04 2.1E-04 2.6E-04 2.0E-04 N-Glycolylneuraminic acid 1.6E-04 3.2E-04 3.3E-04 1.6E-04 3.1E-04 2.7E-04 3.7E-04 2.9E-04 1.1E-04 4.2E-04 6.8E-04 2.4E-04 3.4E-04 2.6E-04 2.5E-04 3.2E-04 N-Methylproline 6.9E-04 5.2E-04 3.6E-04 6.5E-04 6.0E-04 3.7E-04 8.4E-04 8.9E-04 6.1E-04 8.0E-04 8.0E-04 6.2E-04 7.9E-04 6.8E-04 6.0E-04 6.0E-04 N1-Methyl-4-pyridone-5-carboxamide 3.4E-03 5.3E-03 7.2E-03 3.3E-03 1.4E-03 1.6E-03 1.5E-03 3.7E-03 4.3E-03 3.0E-03 4.3E-03 5.1E-03 2.9E-03 2.9E-03 2.2E-03 1.4E-03 N1-Methylguanosine 2.0E-04 1.8E-04 2.4E-04 1.7E-04 1.6E-04 1.7E-04 1.8E-04 1.8E-04 1.6E-04 1.1E-04 9.1E-05 1.8E-04 1.6E-04 1.8E-04 1.6E-04 1.3E-04 N2-Acetylaminoadipic acid N.D. N.D. N.D. N.D. N.D. N.D. N.D. 5.6E-05 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N6,N6,N6-Trimethyllysine 4.3E-03 4.8E-03 4.2E-03 4.6E-03 4.3E-03 3.6E-03 4.2E-03 6.6E-03 3.6E-03 4.8E-03 6.4E-03 4.9E-03 6.2E-03 5.0E-03 5.1E-03 4.8E-03 N6-Acetyllysine 2.7E-03 2.5E-03 2.5E-03 2.8E-03 2.7E-03 2.3E-03 2.4E-03 3.6E-03 2.9E-03 3.6E-03 3.1E-03 2.9E-03 3.2E-03 3.3E-03 3.0E-03 2.7E-03 N6-Methyl-2'-deoxyadenosine 1.1E-05 1.3E-05 1.1E-05 2.6E-05 N.D. N.D. 9.6E-06 N.D. 2.8E-05 1.8E-05 7.4E-06 N.D. N.D. 2.0E-05 N.D. 2.5E-05 N6-Methyllysine 2.9E-02 2.0E-02 1.6E-02 2.8E-02 2.0E-02 1.6E-02 1.9E-02 2.8E-02 2.4E-02 2.8E-02 3.2E-02 3.1E-02 2.5E-02 2.4E-02 1.8E-02 1.9E-02 N8-Acetylspermidine 3.6E-04 4.4E-04 3.3E-04 4.2E-04 3.6E-04 2.5E-04 3.4E-04 4.8E-04 3.4E-04 3.3E-04 4.7E-04 5.9E-04 3.4E-04 5.1E-04 3.8E-04 3.1E-04 Nalidixic acid 3.3E-05 N.D. N.D. N.D. 5.8E-05 N.D. 6.2E-05 1.3E-04 N.D. 3.0E-05 N.D. N.D. N.D. 1.0E-04 1.1E-04 8.2E-05 Nicotinamide 1.2E-02 1.3E-02 1.3E-02 9.1E-03 5.5E-03 7.2E-03 8.8E-03 1.8E-02 1.1E-02 1.0E-02 1.2E-02 1.4E-02 1.0E-02 7.7E-03 8.0E-03 6.0E-03 "Noradrenaline 6-Hydroxydopamine" 1.3E-05 N.D. N.D. 2.1E-05 1.7E-05 9.4E-06 N.D. 2.7E-05 2.3E-05 1.5E-05 N.D. 7.5E-06 1.7E-05 1.3E-05 N.D. N.D. N’-Formylkynurenine 1.1E-04 5.6E-05 4.3E-05 7.0E-05 7.2E-05 4.6E-05 4.0E-05 5.3E-05 1.3E-04 1.4E-04 1.4E-04 9.8E-05 9.3E-05 7.0E-05 9.8E-05 1.2E-04 Nω-Methylarginine 7.9E-04 6.4E-04 4.0E-04 9.8E-04 7.1E-04 5.5E-04 5.2E-04 7.7E-04 9.3E-04 1.1E-03 9.2E-04 8.9E-04 7.3E-04 8.7E-04 6.7E-04 6.2E-04 O-Acetylcarnitine 1.8E-01 1.5E-01 1.4E-01 1.5E-01 1.6E-01 1.7E-01 1.9E-01 2.0E-01 1.9E-01 1.9E-01 1.6E-01 2.2E-01 2.1E-01 2.1E-01 2.2E-01 2.3E-01 o-Hydroxybenzoic acid 1.9E-03 N.D. N.D. 2.0E-03 2.7E-03 9.2E-04 1.6E-03 4.3E-03 2.0E-03 1.9E-03 9.4E-04 1.5E-03 2.1E-03 1.8E-03 1.3E-03 1.4E-03 O-Sulfoserine 1.3E-04 N.D. 1.7E-04 1.7E-04 2.2E-04 1.9E-04 1.8E-04 N.D. 1.3E-04 1.7E-04 2.5E-04 1.6E-04 1.8E-04 1.7E-04 1.8E-04 1.6E-04 Octanoylcarnitine 1.0E-04 6.7E-05 1.3E-04 1.1E-04 1.3E-04 1.5E-04 4.5E-04 1.6E-04 7.7E-05 N.D. N.D. 1.1E-04 1.7E-04 1.7E-04 1.2E-04 1.1E-04 Octopine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 2.7E-04 Ophthalmic acid 9.8E-04 8.8E-04 3.1E-03 9.7E-04 4.9E-03 5.6E-03 8.5E-03 4.2E-03 6.1E-04 5.1E-04 4.1E-04 8.1E-04 3.2E-03 3.2E-03 3.3E-03 3.8E-03 Ornithine 7.0E-02 7.0E-02 5.0E-02 7.6E-02 6.5E-02 6.3E-02 7.2E-02 9.1E-02 8.7E-02 9.8E-02 1.0E-01 7.4E-02 7.9E-02 7.6E-02 9.9E-02 8.5E-02 Orotic acid 2.5E-04 5.5E-04 4.4E-04 2.8E-04 5.9E-04 6.8E-04 5.6E-04 4.5E-04 2.8E-04 5.0E-04 6.6E-04 2.9E-04 6.2E-04 6.7E-04 7.2E-04 7.5E-04 Orotidine 2.9E-05 5.4E-05 N.D. N.D. N.D. 5.3E-05 N.D. N.D. N.D. N.D. 5.7E-05 4.7E-05 8.4E-05 6.3E-05 N.D. 5.6E-05 "p-Hydroxymandelic acid Homogentisic acid" N.D. N.D. N.D. 1.7E-04 N.D. 8.8E-05 9.5E-05 2.1E-04 1.2E-04 1.1E-04 N.D. 1.3E-04 1.5E-04 N.D. N.D. N.D. p-Hydroxyphenylpyruvic acid 1.7E-03 1.4E-03 2.3E-03 2.9E-03 2.8E-03 1.6E-03 2.2E-03 3.2E-03 1.4E-03 1.1E-03 N.D. 1.6E-03 2.9E-03 2.7E-03 1.9E-03 2.0E-03 Pantothenic acid 2.8E-03 1.2E-03 1.2E-03 3.1E-03 2.1E-03 1.2E-03 8.0E-04 3.4E-03 3.4E-03 2.9E-03 1.2E-03 3.0E-03 2.3E-03 2.9E-03 1.7E-03 1.6E-03 Pargyline 1.3E-04 N.D. N.D. 7.2E-05 4.6E-05 4.5E-05 5.5E-05 N.D. 6.7E-05 8.1E-05 N.D. 7.8E-05 8.3E-05 N.D. 1.3E-05 4.5E-05 Perillic acid 1.2E-03 4.9E-04 8.1E-04 8.1E-04 7.7E-04 8.3E-04 8.1E-04 8.2E-04 1.0E-03 8.1E-04 7.5E-04 9.7E-04 6.5E-04 1.1E-03 9.6E-04 9.0E-04 Phe 4.2E-01 3.9E-01 3.6E-01 3.8E-01 4.8E-01 3.7E-01 4.2E-01 4.4E-01 5.5E-01 4.5E-01 3.7E-01 4.6E-01 5.0E-01 5.1E-01 5.5E-01 4.7E-01 "Phenaceturic acid N-(o-Toluoyl)glycine" 1.3E-03 5.5E-04 1.2E-03 8.8E-04 2.8E-04 1.4E-04 3.2E-04 5.0E-04 2.6E-04 2.1E-04 9.1E-05 2.6E-04 6.1E-04 5.8E-04 2.5E-04 2.1E-04 Phenol N.D. 7.9E-04 1.1E-03 9.2E-04 1.1E-03 N.D. N.D. N.D. 1.0E-03 N.D. N.D. N.D. N.D. 1.1E-03 1.1E-03 9.8E-04 Phosphocreatine 2.3E-04 3.9E-04 2.0E-04 2.0E-04 2.1E-04 3.5E-04 1.9E-04 1.6E-04 3.2E-04 4.9E-04 7.8E-04 3.3E-04 3.0E-04 1.8E-04 2.5E-04 4.1E-04 Phosphorylcholine 7.1E-03 9.1E-03 7.2E-03 1.6E-02 9.5E-03 8.0E-03 8.1E-03 1.5E-02 7.6E-03 1.2E-02 1.1E-02 1.1E-02 7.4E-03 8.8E-03 9.1E-03 7.0E-03 Phthalic acid N.D. N.D. N.D. 1.2E-04 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Picolinic acid 9.7E-04 N.D. N.D. 7.8E-04 5.3E-04 5.2E-04 4.8E-04 1.2E-03 9.2E-04 7.9E-04 N.D. 5.9E-04 8.6E-04 7.6E-04 6.5E-04 N.D. Pipecolic acid 1.4E-02 2.3E-02 2.1E-02 1.3E-02 1.7E-02 2.0E-02 2.3E-02 1.6E-02 1.2E-02 1.8E-02 2.5E-02 1.7E-02 2.4E-02 2.4E-02 2.2E-02 1.9E-02 Piperidine 4.4E-05 N.D. N.D. N.D. 6.0E-05 6.1E-05 1.2E-04 8.7E-05 N.D. N.D. N.D. N.D. N.D. 5.5E-05 7.0E-05 N.D. Pro 2.2E-01 2.4E-01 1.5E-01 2.1E-01 2.1E-01 1.7E-01 1.8E-01 2.4E-01 3.2E-01 3.0E-01 3.2E-01 2.3E-01 2.8E-01 2.3E-01 3.0E-01 2.6E-01 Propionic acid N.D. N.D. N.D. N.D. 1.5E-03 N.D. N.D. N.D. 1.3E-03 N.D. N.D. N.D. N.D. N.D. 2.0E-03 1.9E-03 Prostaglandin E2 3.5E-04 N.D. N.D. 1.5E-04 1.7E-04 N.D. N.D. 2.0E-04 7.6E-05 5.3E-05 N.D. 7.6E-05 N.D. N.D. N.D. N.D. Putrescine 1.5E-04 2.5E-04 1.9E-04 1.7E-04 2.2E-04 2.5E-04 3.0E-04 2.6E-04 1.4E-04 2.1E-04 1.7E-04 2.6E-04 2.1E-04 2.3E-04 2.2E-04 2.2E-04 Pyridoxal 1.2E-03 4.5E-04 4.8E-04 1.2E-03 9.4E-04 4.1E-04 4.5E-04 1.6E-03 1.5E-03 1.4E-03 5.0E-04 1.0E-03 8.5E-04 1.4E-03 6.4E-04 6.3E-04 Pyridoxamine 7.2E-06 N.D. N.D. 1.1E-05 1.1E-05 N.D. N.D. 2.2E-05 N.D. 2.1E-05 N.D. 1.2E-05 N.D. 1.7E-05 N.D. N.D. Pyridoxine 2.0E-05 N.D. N.D. 9.9E-06 2.3E-05 1.3E-05 N.D. 2.4E-05 N.D. N.D. 9.6E-06 1.2E-05 2.0E-05 1.3E-05 N.D. N.D. Pyruvic acid 3.7E-03 4.4E-03 3.8E-03 3.7E-03 6.0E-03 5.2E-03 5.9E-03 5.5E-03 3.6E-03 5.4E-03 5.4E-03 2.8E-03 7.2E-03 5.6E-03 4.8E-03 6.1E-03 Quinolinic acid N.D. 7.7E-05 1.2E-04 1.5E-04 N.D. 9.9E-05 N.D. 2.3E-04 1.1E-04 N.D. N.D. 9.4E-05 2.1E-04 1.3E-04 1.1E-04 1.1E-04 Retinoic acid N.D. N.D. N.D. 2.8E-05 1.7E-04 5.6E-05 N.D. N.D. N.D. 8.9E-05 5.1E-05 N.D. N.D. 5.4E-05 N.D. 5.8E-05 Riboflavin 2.5E-04 1.4E-04 9.3E-05 2.0E-04 2.2E-04 2.0E-04 1.2E-04 2.9E-04 2.6E-04 2.2E-04 1.4E-04 1.6E-04 1.2E-04 2.4E-04 1.9E-04 1.8E-04 Ribose 5-phosphate 6.8E-05 9.5E-05 1.2E-04 1.0E-04 1.0E-04 1.6E-04 N.D. 2.5E-04 N.D. 9.0E-05 N.D. 1.1E-04 1.8E-04 1.3E-04 1.2E-04 1.0E-04 Ribulose 5-phosphate 2.4E-03 1.4E-03 1.6E-03 3.1E-03 5.4E-03 3.6E-03 4.4E-03 7.5E-03 1.8E-03 2.5E-03 8.8E-04 2.6E-03 6.0E-03 6.5E-03 2.5E-03 3.2E-03 S-Adenosylhomocysteine 2.3E-04 1.9E-04 2.0E-04 1.4E-04 3.9E-04 6.4E-04 1.1E-03 3.0E-04 1.4E-04 6.2E-05 N.D. 1.7E-04 8.2E-04 3.0E-04 5.8E-04 3.2E-04 S-Adenosylmethionine 1.8E-04 1.9E-04 2.0E-04 1.6E-04 1.7E-04 1.7E-04 1.8E-04 2.2E-04 1.4E-04 9.3E-05 2.3E-04 1.8E-04 2.4E-04 2.2E-04 1.7E-04 1.7E-04 S-Carboxymethylcysteine 5.0E-05 5.4E-05 3.9E-05 5.6E-05 5.8E-05 6.4E-05 4.5E-05 6.8E-05 6.2E-05 6.0E-05 5.4E-05 5.6E-05 6.2E-05 3.2E-05 5.6E-05 5.2E-05 S-Lactoylglutathione N.D. N.D. 2.0E-05 N.D. N.D. 1.0E-05 1.7E-05 N.D. N.D. N.D. N.D. N.D. N.D. N.D. 2.2E-05 N.D. S-Methylcysteine 1.4E-03 9.5E-04 1.3E-03 1.0E-03 8.1E-04 7.8E-04 8.2E-04 7.5E-04 1.0E-03 9.8E-04 9.9E-04 1.6E-03 6.9E-04 1.0E-03 7.3E-04 7.6E-04 S-Methylglutathione 3.9E-04 3.6E-04 7.2E-04 5.2E-04 1.0E-03 1.1E-03 1.1E-03 1.4E-03 3.1E-04 2.7E-04 7.8E-05 6.0E-04 8.3E-04 1.1E-03 9.7E-04 9.7E-04 S-Methylmethionine 2.6E-04 2.8E-04 2.5E-04 2.3E-04 3.1E-04 2.9E-04 5.2E-04 3.3E-04 2.7E-04 4.0E-04 4.6E-04 3.7E-04 4.2E-04 2.6E-04 2.8E-04 4.2E-04 S-Sulfocysteine 1.0E-03 1.7E-03 1.0E-03 8.2E-04 1.3E-03 2.4E-03 4.5E-04 4.0E-04 7.5E-03 3.2E-03 2.2E-03 1.2E-03 1.4E-03 1.9E-03 2.4E-03 3.5E-03 Saccharopine 2.9E-05 2.8E-05 N.D. 3.8E-05 2.2E-05 3.6E-05 6.9E-05 1.1E-04 2.6E-05 1.9E-05 1.4E-04 1.2E-04 1.7E-04 1.1E-04 5.1E-05 5.7E-05 Sarcosine 4.4E-03 2.7E-03 2.0E-03 4.9E-03 3.2E-03 2.4E-03 3.7E-03 7.4E-03 3.8E-03 4.8E-03 2.7E-03 5.8E-03 5.3E-03 5.0E-03 4.4E-03 2.9E-03 SDMA 1.1E-03 1.1E-03 1.2E-03 1.1E-03 9.1E-04 8.6E-04 9.6E-04 9.1E-04 1.1E-03 9.9E-04 1.2E-03 1.4E-03 1.2E-03 1.3E-03 1.2E-03 1.1E-03 Sebacic acid N.D. 2.9E-04 N.D. N.D. 3.0E-04 5.6E-04 6.3E-04 N.D. N.D. N.D. N.D. N.D. 3.9E-04 2.4E-04 6.3E-04 5.4E-04 Sedoheptulose 7-phosphate 7.1E-05 1.8E-04 3.7E-04 2.1E-04 2.9E-04 2.9E-04 3.8E-04 6.3E-04 5.8E-05 1.2E-04 9.7E-05 2.5E-04 2.7E-04 1.8E-04 2.3E-04 1.1E-04 Ser 7.9E-02 8.2E-02 5.2E-02 7.4E-02 7.9E-02 6.2E-02 5.2E-02 6.3E-02 1.2E-01 1.2E-01 1.1E-01 9.1E-02 8.7E-02 8.2E-02 1.0E-01 1.0E-01 Serotonin 3.9E-03 2.9E-04 5.3E-05 5.6E-04 1.9E-03 1.2E-03 4.0E-04 9.7E-03 1.1E-03 2.6E-03 2.1E-03 3.2E-03 1.3E-03 1.7E-03 2.3E-03 1.7E-03 Spermidine 1.5E-03 1.9E-03 1.3E-03 1.7E-03 2.5E-03 2.1E-03 2.4E-03 2.5E-03 1.2E-03 1.4E-03 2.0E-03 1.8E-03 1.9E-03 2.6E-03 1.7E-03 1.7E-03 Spermine 5.8E-05 1.1E-04 6.2E-05 8.6E-05 9.9E-05 1.2E-04 1.0E-04 1.1E-04 5.6E-05 6.6E-05 7.3E-05 7.9E-05 8.6E-05 9.3E-05 7.6E-05 5.9E-05 Stachydrine 4.7E-02 5.1E-02 3.9E-02 4.9E-02 3.9E-02 3.9E-02 4.9E-02 5.9E-02 5.2E-02 6.2E-02 5.0E-02 5.6E-02 7.0E-02 5.2E-02 6.6E-02 5.5E-02 Suberic acid N.D. 6.3E-05 N.D. N.D. 2.2E-04 1.3E-04 2.7E-04 2.2E-04 8.0E-05 N.D. N.D. 1.1E-04 1.4E-04 1.9E-04 1.6E-04 1.2E-04 Succinic acid 4.3E-02 3.7E-02 6.0E-02 5.1E-02 9.2E-02 7.8E-02 1.8E-01 2.0E-01 2.8E-02 2.3E-02 N.D. 4.8E-02 9.8E-02 8.6E-02 7.2E-02 4.8E-02 Sulfotyrosine 1.2E-04 1.5E-04 9.1E-05 1.3E-04 1.3E-04 1.1E-04 1.5E-04 1.8E-04 9.5E-05 1.2E-04 1.7E-04 1.1E-04 1.2E-04 1.5E-04 1.2E-04 1.3E-04 Taurine 1.0E-01 1.7E-01 1.2E-01 1.2E-01 1.1E-01 1.5E-01 1.2E-01 1.3E-01 2.7E-01 2.7E-01 2.5E-01 2.1E-01 2.7E-01 1.4E-01 2.0E-01 1.9E-01 Taurocholic acid 3.3E-03 4.0E-04 3.5E-04 2.2E-03 1.0E-01 2.7E-02 9.0E-04 2.6E-03 1.3E-01 1.0E-01 9.2E-04 2.9E-03 2.1E-03 1.0E-01 9.2E-02 9.2E-02 Taurocyamine N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 1.2E-04 1.8E-04 9.1E-05 1.6E-04 1.4E-04 N.D. N.D. N.D. Thiamine 9.0E-04 1.4E-03 1.6E-03 8.6E-04 1.1E-03 1.0E-03 2.1E-03 9.4E-04 6.5E-04 4.9E-04 9.7E-04 1.0E-03 1.3E-03 1.1E-03 1.7E-03 1.5E-03 Thiamine diphosphate N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 3.4E-05 N.D. N.D. N.D. N.D. N.D. Thiamine phosphate 3.7E-04 4.6E-04 4.2E-04 4.3E-04 3.3E-04 3.0E-04 4.6E-04 4.0E-04 2.2E-04 2.9E-04 4.9E-04 3.8E-04 4.2E-04 3.4E-04 5.0E-04 4.3E-04 Thiaproline 1.1E-04 2.7E-04 6.3E-04 8.9E-05 2.0E-04 2.2E-04 1.7E-04 1.2E-04 1.2E-04 1.2E-04 3.4E-04 1.0E-04 1.2E-04 9.9E-05 2.5E-04 4.5E-04 Thr 1.8E-01 1.8E-01 1.2E-01 1.9E-01 1.5E-01 1.3E-01 1.5E-01 1.7E-01 2.0E-01 2.3E-01 2.4E-01 2.0E-01 2.2E-01 1.7E-01 1.8E-01 1.7E-01 threo-β-Methylaspartic acid 1.8E-04 6.1E-04 6.7E-04 N.D. 4.5E-04 3.9E-04 6.6E-04 N.D. N.D. 3.4E-04 4.4E-04 N.D. 4.7E-04 5.0E-04 4.1E-04 4.2E-04 Threonic acid 7.7E-03 8.3E-03 6.4E-03 7.2E-03 7.4E-03 8.3E-03 1.0E-02 8.9E-03 6.9E-03 9.7E-03 8.8E-03 8.6E-03 1.2E-02 9.4E-03 6.7E-03 6.7E-03 Thymidine 4.8E-03 3.5E-03 3.5E-03 4.8E-03 3.0E-03 3.4E-03 3.0E-03 4.1E-03 1.6E-03 1.5E-03 1.4E-03 9.9E-04 9.0E-04 1.4E-03 1.2E-03 1.3E-03 Thymine 6.8E-03 4.9E-03 4.9E-03 6.3E-03 3.9E-03 4.7E-03 4.1E-03 5.6E-03 2.1E-03 2.1E-03 2.1E-03 1.5E-03 1.4E-03 2.0E-03 1.7E-03 1.9E-03 trans-Cinnamic acid N.D. N.D. N.D. N.D. 1.9E-04 1.6E-04 N.D. N.D. 2.3E-04 2.1E-04 1.9E-04 1.4E-04 2.1E-04 1.5E-04 2.6E-04 2.5E-04 trans-Glutaconic acid 7.9E-04 7.7E-04 7.6E-04 7.6E-04 1.5E-03 1.2E-03 1.7E-03 2.1E-03 7.9E-04 7.5E-04 N.D. 7.0E-04 1.3E-03 1.3E-03 1.7E-03 1.2E-03 Triethanolamine 1.3E-04 1.5E-04 1.2E-04 2.3E-04 1.1E-04 1.1E-04 1.6E-04 1.1E-04 1.0E-04 1.7E-04 1.8E-04 3.3E-04 1.8E-04 1.6E-04 2.6E-04 1.9E-04 Trigonelline 1.9E-02 1.5E-02 1.0E-02 2.2E-02 1.6E-02 1.2E-02 1.7E-02 2.7E-02 1.8E-02 2.0E-02 1.7E-02 2.2E-02 2.4E-02 1.9E-02 1.6E-02 1.3E-02 Trimethylamine 5.2E-04 N.D. 1.5E-04 2.3E-04 3.3E-04 1.9E-04 6.5E-04 7.9E-04 1.7E-04 N.D. N.D. 1.8E-04 3.3E-04 2.5E-04 2.7E-04 2.2E-04 Trimethylamine N-oxide 3.9E-02 4.8E-03 5.3E-03 3.1E-02 2.7E-02 7.7E-03 9.9E-03 8.5E-02 2.5E-02 1.9E-02 6.4E-03 2.8E-02 2.6E-02 3.1E-02 9.8E-03 8.0E-03 Trp 4.5E-01 2.4E-01 2.5E-01 3.7E-01 3.5E-01 2.7E-01 3.1E-01 4.5E-01 4.1E-01 3.6E-01 2.4E-01 4.3E-01 3.9E-01 4.1E-01 3.7E-01 3.3E-01 Tyr 2.2E-01 2.3E-01 2.2E-01 2.6E-01 2.9E-01 2.3E-01 2.2E-01 2.9E-01 3.5E-01 2.8E-01 2.2E-01 2.8E-01 3.4E-01 3.9E-01 3.4E-01 3.3E-01 Tyr-Glu 3.9E-06 1.3E-05 1.0E-05 4.6E-06 1.1E-05 1.3E-05 1.3E-05 N.D. 1.5E-05 9.4E-06 1.9E-05 1.1E-05 N.D. N.D. 1.2E-05 9.1E-06 Tyrosine methyl ester 5.0E-05 2.1E-05 2.8E-05 3.3E-05 3.1E-05 5.0E-05 5.5E-05 8.7E-05 2.8E-05 2.3E-05 2.5E-05 4.9E-05 4.0E-05 3.2E-05 3.3E-05 2.8E-05 UDP 5.5E-05 5.7E-05 N.D. N.D. N.D. N.D. N.D. 2.3E-04 N.D. N.D. 1.1E-04 N.D. N.D. N.D. N.D. N.D. "UDP-glucose UDP-galactose" N.D. 8.5E-05 N.D. 7.3E-05 3.7E-05 3.0E-05 N.D. 1.3E-04 N.D. N.D. 6.9E-05 N.D. N.D. 5.7E-05 2.2E-05 N.D. "UDP-N-acetylglucosamine UDP-N-acetylgalactosamine" N.D. 6.2E-05 N.D. 3.5E-05 6.1E-05 N.D. N.D. 9.6E-05 N.D. N.D. 7.9E-05 N.D. N.D. N.D. 4.8E-05 4.3E-05 UMP 6.4E-05 1.0E-04 4.9E-05 7.1E-05 1.2E-04 N.D. 4.7E-05 2.9E-04 N.D. N.D. 1.3E-04 N.D. 7.7E-05 3.0E-05 N.D. N.D. Uracil 1.3E-02 8.9E-03 1.1E-02 1.1E-02 1.2E-02 1.4E-02 1.9E-02 2.0E-02 1.0E-02 6.9E-03 6.0E-03 1.3E-02 1.2E-02 1.5E-02 1.2E-02 1.0E-02 Urea 1.1E+00 1.3E+00 1.1E+00 1.2E+00 1.1E+00 1.1E+00 1.2E+00 1.5E+00 1.2E+00 1.3E+00 1.4E+00 1.5E+00 1.9E+00 1.4E+00 1.4E+00 1.4E+00 Ureidoglycolic acid N.D. N.D. N.D. 4.4E-05 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Uric acid 4.7E-02 5.9E-02 6.8E-02 4.3E-02 6.1E-02 5.8E-02 1.1E-01 7.7E-02 4.2E-02 3.8E-02 1.4E-02 5.6E-02 6.6E-02 6.8E-02 6.2E-02 4.9E-02 Uridine 1.2E-02 1.0E-02 1.4E-02 1.0E-02 1.2E-02 1.5E-02 2.5E-02 2.1E-02 1.1E-02 7.6E-03 6.2E-03 1.6E-02 1.7E-02 1.9E-02 1.6E-02 1.2E-02 Urocanic acid 9.2E-04 9.2E-04 5.3E-04 8.0E-04 6.7E-04 6.0E-04 3.3E-04 6.3E-04 9.9E-04 2.1E-03 1.1E-03 1.0E-03 9.2E-04 8.0E-04 1.4E-03 8.6E-04 UTP 5.2E-05 7.0E-05 N.D. N.D. N.D. N.D. N.D. 1.7E-04 N.D. N.D. 2.0E-04 3.4E-05 N.D. N.D. N.D. N.D. Val 5.2E-01 4.5E-01 3.8E-01 5.2E-01 4.4E-01 3.5E-01 4.3E-01 5.5E-01 4.9E-01 4.9E-01 5.4E-01 5.6E-01 6.2E-01 4.7E-01 5.8E-01 5.6E-01 XA0003 N.D. 5.8E-05 N.D. N.D. N.D. 1.4E-04 N.D. 6.4E-05 1.8E-04 3.2E-04 4.6E-04 3.8E-04 3.2E-04 4.9E-05 1.3E-04 1.8E-04 XA0004 1.1E-04 9.9E-05 9.7E-05 1.1E-04 1.5E-04 1.0E-04 1.3E-04 1.7E-04 1.0E-04 1.8E-04 2.0E-04 1.3E-04 1.8E-04 1.5E-04 1.3E-04 1.4E-04 XA0012 1.7E-03 1.2E-03 1.9E-03 1.2E-03 1.7E-03 1.6E-03 2.7E-03 3.1E-03 2.3E-03 1.3E-03 1.5E-03 2.2E-03 3.9E-03 2.5E-03 2.8E-03 2.0E-03 XA0013 1.6E-02 7.2E-03 9.0E-03 1.2E-02 9.4E-03 4.9E-03 7.3E-03 1.4E-02 6.6E-03 7.8E-03 8.0E-03 5.9E-03 1.2E-02 1.3E-02 6.1E-03 6.2E-03 XA0017 1.0E-04 1.1E-04 1.8E-04 N.D. 2.0E-04 1.1E-04 4.7E-04 1.4E-04 N.D. N.D. N.D. N.D. 2.4E-04 1.6E-04 2.7E-04 2.0E-04 XA0019 8.9E-04 1.1E-03 1.7E-03 9.6E-04 1.1E-03 1.1E-03 1.4E-03 9.4E-04 1.9E-03 1.2E-03 9.9E-04 1.2E-03 1.4E-03 1.1E-03 8.4E-04 8.9E-04 XA0027 1.9E-03 2.9E-03 2.9E-03 1.9E-03 2.8E-03 3.2E-03 3.2E-03 3.0E-03 2.1E-03 3.2E-03 3.7E-03 3.6E-03 3.4E-03 4.2E-03 2.7E-03 3.7E-03 XA0035 4.6E-03 2.6E-03 3.2E-03 4.3E-03 2.9E-03 2.0E-03 2.9E-03 6.1E-03 4.3E-03 3.2E-03 1.2E-03 5.7E-03 3.7E-03 4.4E-03 2.5E-03 1.9E-03 Xanthine N.D. N.D. N.D. N.D. N.D. N.D. 5.2E-06 N.D. N.D. 1.3E-05 N.D. N.D. N.D. N.D. N.D. N.D. Xanthosine 1.7E-04 6.1E-04 4.3E-04 1.9E-04 2.3E-04 3.8E-04 1.1E-03 5.3E-04 1.7E-04 2.5E-04 N.D. 4.4E-04 3.2E-04 2.5E-04 3.4E-04 9.2E-05 Xanthurenic acid 6.4E-05 N.D. N.D. N.D. 4.7E-05 N.D. N.D. 9.6E-05 N.D. N.D. N.D. N.D. 5.7E-05 N.D. 7.6E-05 6.0E-05 XC0016 2.6E-03 2.5E-03 3.2E-03 2.7E-03 2.5E-03 2.7E-03 3.0E-03 3.0E-03 3.1E-03 3.5E-03 2.6E-03 3.7E-03 4.6E-03 3.4E-03 3.6E-03 3.1E-03 XC0017 7.7E-06 N.D. N.D. 1.2E-05 7.5E-06 N.D. N.D. 8.5E-06 1.1E-05 N.D. N.D. N.D. 1.0E-05 9.9E-06 1.3E-05 1.2E-05 XC0029 2.4E-04 3.1E-04 3.0E-04 2.4E-04 2.3E-04 2.5E-04 3.7E-04 3.1E-04 2.4E-04 2.5E-04 2.9E-04 2.5E-04 3.6E-04 3.4E-04 3.2E-04 N.D. XC0040 1.0E-03 1.2E-03 8.5E-04 1.3E-03 1.6E-03 1.4E-03 1.8E-03 2.4E-03 8.9E-04 1.2E-03 9.0E-04 1.1E-03 1.7E-03 1.5E-03 1.4E-03 1.1E-03 "XC0061 Propionylcarnitine" 8.3E-03 5.2E-03 4.8E-03 9.4E-03 1.4E-02 9.8E-03 1.0E-02 1.8E-02 8.9E-03 7.7E-03 4.8E-03 1.0E-02 1.0E-02 1.1E-02 1.1E-02 1.0E-02 XC0065 3.9E-04 1.9E-04 1.7E-04 3.8E-04 2.3E-04 2.3E-04 1.9E-04 4.4E-04 4.0E-04 4.2E-04 2.6E-04 4.5E-04 3.5E-04 4.2E-04 3.2E-04 3.6E-04 XC0071 1.1E-04 1.1E-04 9.3E-05 7.9E-05 1.6E-04 1.3E-04 1.6E-04 2.0E-04 1.0E-04 9.9E-05 1.1E-04 9.8E-05 1.7E-04 1.7E-04 1.7E-04 1.3E-04 "XC0089 Nicotinamide riboside" 4.4E-05 3.8E-05 5.6E-05 4.1E-05 3.6E-05 3.5E-05 5.5E-05 5.0E-05 2.8E-05 2.9E-05 2.8E-05 4.4E-05 6.3E-05 5.8E-05 7.2E-05 5.2E-05 XC0120 1.5E-04 3.2E-04 5.5E-04 1.7E-04 2.6E-04 2.8E-04 2.5E-04 2.2E-04 1.8E-04 2.0E-04 4.1E-04 2.3E-04 2.6E-04 1.8E-04 3.0E-04 4.4E-04 XC0126 7.2E-05 1.1E-04 1.1E-04 8.1E-05 9.3E-05 1.0E-04 8.4E-05 1.5E-04 9.1E-05 1.3E-04 1.3E-04 1.3E-04 1.5E-04 1.4E-04 2.1E-04 1.3E-04 XC0132 1.6E-04 2.4E-04 2.3E-04 1.4E-04 1.7E-04 2.3E-04 1.9E-04 2.1E-04 1.9E-04 2.2E-04 3.7E-04 2.4E-04 2.8E-04 2.0E-04 2.1E-04 2.5E-04 XC0145 4.1E-05 N.D. N.D. 9.4E-05 6.2E-05 N.D. 3.1E-05 7.8E-05 4.7E-05 7.6E-05 6.0E-05 N.D. 8.3E-05 9.8E-05 5.9E-05 6.8E-05 XC0146 2.1E-05 3.8E-05 3.5E-05 1.7E-05 1.8E-05 3.2E-05 2.5E-05 1.6E-05 2.6E-05 2.7E-05 6.6E-05 3.5E-05 3.5E-05 3.5E-05 N.D. 3.5E-05 XC0150 1.8E-04 1.7E-04 2.2E-04 1.5E-04 1.6E-04 1.8E-04 1.9E-04 1.7E-04 2.0E-04 2.0E-04 1.7E-04 1.9E-04 1.7E-04 1.6E-04 2.1E-04 2.0E-04 Xylulose 5-phosphate 6.8E-05 9.5E-05 1.2E-04 1.0E-04 1.1E-04 N.D. 1.6E-04 2.5E-04 N.D. 9.0E-05 6.5E-05 1.1E-04 1.8E-04 1.3E-04 1.2E-04 1.0E-04 β-Ala 6.2E-04 1.1E-03 1.5E-03 5.2E-04 1.3E-03 1.5E-03 1.6E-03 1.0E-03 6.6E-04 9.7E-04 1.8E-03 6.6E-04 1.4E-03 1.1E-03 1.7E-03 2.0E-03 β-Ala-Lys 1.1E-05 6.9E-06 1.3E-05 1.5E-05 1.1E-05 1.1E-05 8.8E-06 6.2E-06 1.0E-05 1.2E-05 2.8E-05 5.1E-06 1.2E-05 1.3E-05 9.2E-06 1.0E-05 β-Tyr 4.5E-05 N.D. N.D. 6.3E-05 5.1E-05 4.5E-05 4.9E-05 N.D. 5.9E-05 4.9E-05 N.D. N.D. 4.8E-05 N.D. 5.2E-05 N.D. γ-Butyrobetaine 1.0E-02 6.0E-03 5.2E-03 9.0E-03 1.0E-02 8.6E-03 9.8E-03 1.5E-02 1.3E-02 1.1E-02 6.8E-03 1.4E-02 1.3E-02 1.4E-02 1.1E-02 1.3E-02 γ-Glu-Ala 5.2E-03 6.0E-03 6.6E-03 4.5E-03 5.8E-03 6.4E-03 5.6E-03 4.7E-03 7.8E-03 6.9E-03 5.8E-03 4.9E-03 7.4E-03 5.7E-03 6.7E-03 6.8E-03 γ-Glu-Arg_divalent 3.8E-03 4.6E-03 4.4E-03 4.3E-03 6.2E-03 5.0E-03 7.5E-03 5.0E-03 3.6E-03 4.8E-03 6.2E-03 5.0E-03 7.8E-03 5.8E-03 6.0E-03 5.0E-03 γ-Glu-Asn 8.1E-04 1.0E-03 1.1E-03 7.8E-04 1.4E-03 1.6E-03 1.1E-03 7.9E-04 1.8E-03 1.3E-03 1.0E-03 8.4E-04 1.4E-03 1.4E-03 2.1E-03 1.8E-03 γ-Glu-Asp 3.0E-05 N.D. N.D. 3.4E-05 N.D. 2.9E-05 3.1E-05 N.D. 3.5E-05 N.D. N.D. N.D. N.D. 4.1E-05 3.9E-05 N.D. γ-Glu-Citrulline 1.9E-03 1.2E-03 2.1E-03 1.7E-03 2.1E-03 2.2E-03 2.4E-03 2.1E-03 1.7E-03 1.5E-03 1.0E-03 1.7E-03 2.3E-03 2.2E-03 2.3E-03 1.7E-03 γ-Glu-Gln 2.9E-02 2.3E-02 3.4E-02 2.3E-02 3.9E-02 3.9E-02 3.9E-02 2.4E-02 3.4E-02 N.D. 2.4E-02 3.1E-02 4.0E-02 4.0E-02 4.1E-02 4.3E-02 γ-Glu-Glu 5.6E-04 1.0E-03 1.4E-03 5.9E-04 1.8E-03 1.7E-03 2.0E-03 8.7E-04 1.0E-03 9.0E-04 8.9E-04 7.4E-04 1.7E-03 1.3E-03 1.5E-03 1.5E-03 γ-Glu-Gly 4.9E-03 8.1E-03 9.0E-03 4.5E-03 7.8E-03 9.2E-03 9.1E-03 4.7E-03 7.5E-03 8.3E-03 6.8E-03 6.3E-03 1.1E-02 8.5E-03 1.0E-02 1.0E-02 γ-Glu-His 5.2E-04 6.2E-04 6.5E-04 5.0E-04 8.4E-04 9.3E-04 9.5E-04 7.0E-04 1.0E-03 8.1E-04 7.8E-04 7.3E-04 9.4E-04 8.6E-04 1.1E-03 1.2E-03 "γ-Glu-Ile γ-Glu-Leu" 4.8E-03 7.2E-03 7.0E-03 5.3E-03 7.2E-03 7.5E-03 8.8E-03 6.3E-03 6.1E-03 7.9E-03 8.4E-03 6.1E-03 1.1E-02 6.4E-03 8.6E-03 8.4E-03 γ-Glu-Lys_divalent 5.5E-03 6.2E-03 6.4E-03 5.8E-03 7.1E-03 6.4E-03 8.7E-03 6.6E-03 5.5E-03 6.8E-03 8.4E-03 7.1E-03 1.1E-02 8.3E-03 7.2E-03 7.2E-03 γ-Glu-Met 2.5E-03 3.0E-03 2.4E-03 2.4E-03 4.0E-03 3.2E-03 3.5E-03 2.8E-03 2.9E-03 3.0E-03 2.9E-03 2.6E-03 4.7E-03 3.4E-03 2.9E-03 3.8E-03 γ-Glu-Ornitine 6.2E-04 N.D. N.D. 6.4E-04 N.D. 7.4E-04 1.1E-03 N.D. 6.8E-04 7.8E-04 N.D. N.D. 1.1E-03 N.D. 1.2E-03 9.3E-04 γ-Glu-Phe 2.0E-03 2.7E-03 2.3E-03 2.4E-03 3.5E-03 3.6E-03 3.1E-03 2.5E-03 3.4E-03 3.1E-03 3.3E-03 2.4E-03 3.7E-03 3.0E-03 4.1E-03 3.2E-03 γ-Glu-Ser 2.5E-03 3.0E-03 3.6E-03 2.6E-03 3.7E-03 3.7E-03 3.3E-03 2.9E-03 3.7E-03 3.9E-03 2.9E-03 3.2E-03 4.3E-03 3.7E-03 4.3E-03 4.0E-03 γ-Glu-Taurine 2.2E-04 3.7E-04 3.8E-04 2.2E-04 2.5E-04 2.8E-04 3.6E-04 2.2E-04 2.8E-04 3.6E-04 3.9E-04 2.3E-04 4.7E-04 3.7E-04 3.7E-04 3.6E-04 γ-Glu-Thr 2.0E-03 2.5E-03 2.8E-03 1.9E-03 3.1E-03 2.7E-03 3.4E-03 2.4E-03 1.9E-03 2.5E-03 2.8E-03 2.0E-03 4.1E-03 2.6E-03 2.9E-03 2.6E-03 γ-Glu-Trp 6.9E-04 3.8E-04 4.3E-04 6.2E-04 8.8E-04 9.1E-04 8.2E-04 8.4E-04 9.1E-04 6.7E-04 5.7E-04 6.7E-04 9.4E-04 9.5E-04 9.1E-04 8.5E-04 γ-Glu-Tyr 1.6E-03 2.0E-03 2.1E-03 1.8E-03 3.5E-03 3.3E-03 2.8E-03 2.4E-03 2.8E-03 2.5E-03 1.9E-03 1.7E-03 3.5E-03 4.1E-03 3.9E-03 3.5E-03 γ-Glu-Val 1.9E-03 3.2E-03 4.1E-03 1.9E-03 3.4E-03 3.8E-03 4.5E-03 3.0E-03 2.2E-03 2.7E-03 3.1E-03 2.2E-03 4.8E-03 3.3E-03 4.3E-03 4.3E-03 γ-Glu-Val-Gly 2.9E-04 5.5E-04 4.9E-04 3.4E-04 3.7E-04 4.3E-04 4.3E-04 3.4E-04 2.8E-04 3.9E-04 6.6E-04 3.9E-04 5.2E-04 4.3E-04 4.1E-04 4.3E-04 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name PubChem CID HMDB ID m/z MT/RT 1-Methyl-4-imidazoleacetic acid 75810 HMDB0002820 141.0658075 8.096480063 1-Methyladenosine 27476 HMDB0003331 282.119585 9.830511406 1-Methylhistamine 3614 HMDB0000898 126.1025869 4.849746413 "1-Methylhydantoin Glycine anhydride" "69217 7817" "HMDB0003646" 115.0501956 23.16278713 1-Methylnicotinamide 457 HMDB0000699 137.0709425 7.219635281 1-Methyluric acid 69726 HMDB0003099 181.0366979 8.799360786 10-Hydroxydecanoic acid 74300 187.1339347 7.9429911 11-Aminoundecanoic acid 17083 202.1799669 9.538712938 1H-Imidazole-4-propionic acid 10105257 141.0658325 7.959853956 "2'-Deoxyadenosine 5'-Deoxyadenosine" "13730 439182" "HMDB0000101 HMDB0001983" 252.1090725 9.5635055 2'-Deoxycytidine 13711 HMDB0000014 228.0978188 9.295052719 2'-Deoxyuridine 13712 HMDB0000012 229.081584 23.21180233 2,3-Diphosphoglyceric acid 186004 HMDB0001294 264.9519375 18.84753488 2,5-Dihydroxybenzoic acid 3469 HMDB0000152 153.0193329 9.773322107 2,6-Diaminopimelic acid 439283 HMDB0001370 191.1022863 8.718115781 2-(Creatinine-3-yl)propionic acid 186.0873564 11.04588343 2-Amino-2-(hydroxymethyl)-1,3-propanediol 6503 122.08114 8.165601938 "2-Aminoadipic acid O-Acetylhomoserine" "92136 439389" "HMDB0000510" 162.07602 10.8579635 "2-Aminobutyric acid 2-Aminoisobutyric acid" "6657 6119" "HMDB0000452 HMDB0001906" 104.0705398 9.502520063 2-Hydroxy-4-methylvaleric acid 439960 HMDB0000624 131.0713125 9.003092406 2-Hydroxybutyric acid 440864 HMDB0000008 103.0400625 9.958359188 2-Hydroxyoctanoic acid 94180 HMDB0000711 159.1026 8.429587938 2-Hydroxyvaleric acid 98009 HMDB0001863 117.0557005 9.412241875 2-Isopropylmalic acid 5280523 HMDB0000402 175.06116 14.050829 2-Methylserine 439656 120.06552 10.24230275 2-Oxoglutaric acid 51 HMDB0000208 145.0142194 21.95389238 2-Oxoisovaleric acid 49 HMDB0000019 115.0400309 10.40173894 "3-(4-Hydroxyphenyl)propionic acid 3-(3-Hydroxyphenyl)propionic acid 2-(4-Hydroxyphenyl)propionic acid" "10394 91 102526" "HMDB0002199 HMDB0000375 HMDB0041683" 165.0555336 8.530457182 3-Amino-2-piperidone 5200225 HMDB0000323 115.0866266 7.469598119 3-Aminobutyric acid 10932 104.0705456 7.814549529 3-Guanidinopropionic acid 67701 132.0767523 7.867224269 3-Hydroxy-2-methyl-4-pyrone 8369 HMDB0030776 127.03891 23.23937113 3-Hydroxy-3-methylglutaric acid 1662 161.0454933 15.59241993 3-Hydroxybutyric acid 441 HMDB0000011,HMDB0000357,HMDB0000442 103.0400393 9.71990725 3-Hydroxykynurenine 11811 HMDB0011631 225.086925 9.596541906 3-Indoxylsulfuric acid 10258 HMDB0000682 212.0022775 9.755282344 3-Methoxytyrosine 1670 HMDB0001434 212.0916669 11.70791638 3-Methyladenine 1673 HMDB0011600 150.077452 7.785823467 3-Methylhistamine 69520 HMDB0001861 126.1025019 4.772093769 "3-Methylhistidine 1-Methylhistidine" "64969 92105" "HMDB0000479 HMDB0000001" 170.0923313 7.348653869 3-Phenylpropionic acid 107 HMDB0000764 149.0607763 8.933338313 3-Phosphoglyceric acid 439183 HMDB0000807 184.985628 20.04578767 3-Ureidopropionic acid 111 HMDB0000026 131.0461775 9.43033125 4-(β-Acetylaminoethyl)imidazole 69602 154.0974656 8.295240389 4-Acetamidobutanoic acid 18189 HMDB0003681 144.066565 8.768666781 4-Aminohippuric acid 2148 HMDB0001867 195.0765613 9.940759375 4-Guanidinobutyric acid 500 HMDB0003464 146.0924294 8.141832813 4-Hydroxy-3-methoxyphenylglycol sulfate 3035420 HMDB0003332 263.0230229 8.217468821 "4-Methyl-2-oxovaleric acid 3-Methyl-2-oxovaleric acid 2-Oxohexanoic acid" "70 47 159664" "HMDB0000695 HMDB0000491 HMDB0001864" 129.055765 9.752549625 4-Methyl-5-thiazoleethanol 1136 144.047782 7.88984188 4-Oxopyrrolidine-2-carboxylic acid 107541 130.0498425 10.83526313 4-Pyridoxic acid 6723 HMDB0000017 182.0458853 8.915322433 5'-Deoxy-5'-methylthioadenosine 439176 HMDB0001173 298.0966881 9.952097188 5-Amino-4-oxovaleric acid 137 HMDB0001149 132.0655356 7.8550992 5-Aminoindole 78867 133.0759786 7.6364246 5-Aminovaleric acid 138 HMDB0003355 118.086365 7.8504486 5-Hydroxyindoleacetic acid 1826 HMDB0000763 190.05093 8.3848016 5-Hydroxylysine 3032849 HMDB0000450 163.107575 7.020978481 5-Hydroxypentanoic acid 25945 HMDB0061927 117.0557057 9.094284286 "5-Methoxyindoleacetic acid Indole-3-lactic acid" "18986 676157" "HMDB0004096 HMDB0000671" 204.0664669 8.379430938 5-Methyl-2'-deoxycytidine 440055 HMDB0002224 242.1135013 9.631654813 5-Methylcytosine 65040 HMDB0002894 126.0662208 7.659202513 5-Oxoproline 7405 HMDB0000267 128.0352913 9.682015563 6-Aminohexanoic acid 564 HMDB0001901 132.101865 8.176418 6-Hydroxyhexanoic acid 14490 131.071302 8.785313933 6-Phosphogluconic acid 91493 HMDB0001316 275.0173367 14.84879233 7,8-Dihydrobiopterin 119055 HMDB0000038 240.109035 10.8725705 7-Methylguanine 11361 HMDB0000897 166.07231 8.086751969 8-Hydroxyoctanoic acid 69820 159.102666 8.288736033 Acetoacetamide 80077 102.054948 11.50296638 Acetoacetic acid 96 HMDB0000060 101.0243605 11.11790209 Adenosine 60961 HMDB0000050 268.1039767 9.7360829 Adipic acid 196 HMDB0000448 145.05054 14.969602 ADMA 123831 HMDB0001539 203.1501788 7.523584444 ADP 6022 HMDB0001341 426.0221 11.09446469 ADP-ribose 445794 HMDB0001178 558.064155 8.6573053 Adrenaline 5816 HMDB0000068 184.096744 9.1757342 Ala 602 HMDB0000161,HMDB0001310 90.05489625 8.878543813 Albizziine 92891 148.07162 10.8612226 Allantoic acid 203 HMDB0001209 175.04724 8.884275083 Allantoin 204 HMDB0000462 159.0512275 23.18339881 AMP 6083 HMDB0000045 346.0556275 9.44966175 Anserine_divalent 112072 121.068315 6.716554869 Anthranilic acid 227 HMDB0001123 138.05487 10.52084567 Arg 6322 HMDB0000517,HMDB0003416 175.1188394 6.978338269 Argininosuccinic acid 16950 HMDB0000052 291.1297163 9.278297125 Ascorbate 2-phosphate 131711663 254.991168 13.6896867 Ascorbate 2-sulfate 54676864 254.98164 14.54069194 Asn 236 HMDB0000168,HMDB0033780 133.06074 10.35418663 Asp 424 HMDB0000191,HMDB0006483 134.0447425 11.45592513 ATP 5957 HMDB0000538 505.988635 12.02011616 Azelaic acid 2266 HMDB0000784 187.0975629 12.35197568 Azetidine 2-carboxylic acid 16486 102.05501 8.743775 Betaine 247 HMDB0000043 118.0862009 11.16396256 Betonicine 164642 160.096766 13.1025611 Biopterin 2380 HMDB0000468,HMDB0000633 238.0934273 11.80351427 "Butyric acid Isobutyric acid" "264 6590" "HMDB0000039 HMDB0001873" 87.04513889 10.04071839 Butyrylcarnitine 439829 HMDB0002013 232.15413 9.439838438 cAMP 6076 HMDB0000058 328.0450617 7.693849917 Carboxymethyllysine 123800 205.1182481 9.065448563 Carnitine 85 HMDB0000062 162.1123625 8.371893844 Carnosine 439224 HMDB0000033 227.1137 6.638301275 Cholic acid 221493 HMDB0000619 407.2803013 7.03079705 Choline 305 HMDB0000097 104.106895 6.730590638 cis-Aconitic acid 643757 HMDB0000072 173.0090144 29.06396025 Citric acid 311 HMDB0000094 191.01972 27.310001 Citrulline 9750 HMDB0000904 176.1028175 10.95041344 CMP 6131 HMDB0000095 322.04456 9.800796 CMP-N-acetylneuraminate 448209 HMDB0001176 613.14001 8.488634933 Creatine 586 HMDB0000064 132.0767238 8.713254594 Creatinine 588 HMDB0000562 114.0661813 7.164568013 Cys 594 HMDB0000574,HMDB0003417 122.0269594 11.204738 Cystathionine 834 HMDB0000099 223.0746513 9.766741281 Cysteine glutathione disulfide 10455148 HMDB0000656 427.09485 11.5548725 Cystine 595 HMDB0000192 241.0309344 10.87850981 Cytidine 6175 HMDB0000089 244.0927025 9.544667 Decarboxylated S-Adenosylmethionine 439415 HMDB0000988 355.1545164 5.563036582 dGDP 439220 HMDB0000960 426.021775 10.72267069 Diethanolamine 8113 HMDB0004437 106.0862738 7.510627425 Dihydroorotic acid 439216 HMDB0000528 157.025155 9.575654 Dihydroxyacetone phosphate 668 HMDB0001473 168.99073 12.89070462 Dodecanedioic acid 12736 HMDB0000623 229.14433 10.90775433 Ectoine 126041 143.0815413 9.2928915 Ergothioneine 3037043 HMDB0003045 230.0957871 17.82694914 Ethanolamine 700 HMDB0000149 62.06007738 6.240012794 Ethanolamine phosphate 1015 HMDB0000224 140.0118 8.187037844 Ethionine 25674 164.07382 10.9555435 Ethyl glucuronide 18392195 HMDB0010325 221.0665613 7.93164465 FAD_divalent 643975 391.5715013 8.034734094 Ferulic acid 445858 HMDB0000954 193.05056 8.551871727 Formiminoglutamic acid 439233 HMDB0000854 173.05664 8.328956889 Formylanthranilic acid 101399 HMDB0004089 164.0353444 9.529685778 Fructose 6-phosphate 603 HMDB0000124 259.0221333 10.1595401 Fumaric acid 444972 HMDB0000134 115.00357 26.09251383 Galacturonic acid 439215 HMDB0002545 193.03527 8.432551625 GDP 8977 HMDB0001201 442.01716 10.86590715 Gibberellic acid 439551 HMDB0003559 347.14758 23.746529 Gln 738 HMDB0000641,HMDB0003423 147.0763644 10.62770447 Glu 611 HMDB0000148,HMDB0003339 148.0604069 10.83472494 Glucaric acid 33037 HMDB0000663 209.0301925 14.72148578 Gluconic acid 10690 HMDB0000625 195.05097 8.366522688 Gluconolactone 7027 HMDB0000150 179.0549875 24.14154063 "Glucosamine Galactosamine" "439213 24154" "HMDB0001514" 180.08658 9.163216688 Glucosaminic acid 73563 196.0813933 11.87402722 Glucose 1-phosphate 65533 HMDB0001586 259.0224273 10.33128973 Glucose 6-phosphate 5958 HMDB0001401 259.0223988 10.03524344 Glucuronic acid 94715 HMDB0000127 193.03531 8.263275719 Glutathione (GSH) 124886 HMDB0000125 308.0910773 13.224146 Glutathione (GSSG)_divalent 65359 307.0833331 12.10971463 Gly 750 HMDB0000123 76.03924813 8.162901875 Gly-Asp 97363 191.0661706 9.750000281 Gly-Gly 11163 HMDB0011733 133.0607725 8.234186188 Glyceric acid 439194 HMDB0000139,HMDB0006372 105.0192688 10.59590088 Glycerol 753 HMDB0000131 93.05450725 23.1616275 Glycerol 3-phosphate 439162 HMDB0000126 171.00636 12.36721844 Glycerophosphocholine 439285 HMDB0000086 258.1100294 22.71257125 Glycocholic acid 10140 HMDB0000138 464.30203 6.911691067 Glycolic acid 757 HMDB0000115 75.00868438 12.89821678 Glyoxylic acid 760 HMDB0000119 72.99298885 11.97374585 GMP 6804 HMDB0001397 362.0507 9.341491385 GTP 6830 HMDB0001273 521.98334 11.71068709 Guanidinosuccinic acid 439918 HMDB0003157 176.0665338 9.980186906 Guanidoacetic acid 763 HMDB0000128 118.0610725 8.089999063 Guanine 764 HMDB0000132 152.0566767 8.145240333 Hexamine 4101 141.1134367 7.2162814 Hippuric acid 464 HMDB0000714 178.0509119 8.596769063 His 773 HMDB0000177 156.0766744 7.160788725 His-Glu 7010583 285.1192457 7.433757071 Histamine 774 HMDB0000870 112.086921 4.722471531 Homoarginine 9085 HMDB0000670 189.13455 7.05822805 Homocarnosine 10243361 HMDB0000745 241.12927 6.714939106 Homocitrulline 65072 HMDB0000679 190.11858 11.0725915 Homocystine 439579 HMDB0000575,HMDB0000676 269.0625056 9.471056222 Homoserine 12647 HMDB0000719 120.06551 9.949390875 Homoserinelactone 73509 102.054917 6.982378975 "Homovanillic acid 3,4-Dihydroxyhydrocinnamic acid Hydroxyphenyllactic acid" "1738 348154 9378" "HMDB0000118 HMDB0000423 HMDB0000755" 181.0506481 8.4365755 Hydroxyindole 75421 134.0599744 23.23274413 Hydroxyproline 5810 HMDB0000725 132.065525 11.96640625 Hypotaurine 107812 HMDB0000965 110.0270356 18.64026431 Hypoxanthine 790 HMDB0000157 137.04572 11.007572 Ile 791 HMDB0000172 132.1018575 10.08395334 Imidazole-4-acetic acid 96215 HMDB0002024 127.0502119 7.884261581 Imidazolelactic acid 793 157.0606775 8.692178219 IMP 8582 HMDB0000175 347.0395 9.771506286 Indole-3-acetic acid 802 HMDB0000197 174.0560247 8.732891933 Indole-3-carboxylic acid 69867 HMDB0003320 160.0403733 8.971613722 Indole-3-propionic acid 3744 HMDB0002302 188.0716063 8.454041188 Inosine 6021 HMDB0000195 269.08812 20.20943 Isatin 7054 148.03928 23.293318 Isethionic acid 7866 HMDB0003903 124.9913631 11.86692503 Isobutyrylcarnitine 168379 HMDB0000736 232.153925 9.360417281 Isocitric acid 1198 HMDB0000193 191.01968 29.80517563 Isoglutamic acid 73064 148.060475 9.014910688 "Isovaleric acid Valeric acid DL-2-Methylbutyric acid" "10430 7991 8314" "HMDB0000718 HMDB0000892 HMDB0002176" 101.06081 9.422466 Isovalerylalanine 129285 HMDB0000747 172.0978688 8.158862875 Isovalerylcarnitine 6426851 HMDB0000688 246.1700013 9.658663375 Kynurenic acid 3845 HMDB0000715 188.0352418 8.732010818 Kynurenine 846 HMDB0000684 209.0919463 9.747843313 Lactic acid 612 HMDB0000190,HMDB0001311 89.02437688 11.04033463 Lauric acid 3893 HMDB0000638 199.1702688 7.818747025 Lauroylcarnitine 168381 HMDB0002250 344.2795256 11.01205828 Leu 857 HMDB0000687 132.1018238 10.19259284 Lipoamide 863 HMDB0000962 206.0658653 23.4329222 Lys 866 HMDB0000182,HMDB0003405 147.1127331 6.745698506 Malic acid 525 HMDB0000156,HMDB0000744 133.0141906 21.95410906 Malonylcarnitine 22833583 HMDB0002095 248.1128879 10.07875193 Mannosamine 440049 180.08658 8.9927145 Met 876 HMDB0000696 150.0582269 10.60282438 Metanephrine 21100 HMDB0004063 198.1124427 9.297783636 Methionine sulfoxide 158980 HMDB0002005 166.0531969 11.69871847 Methyl sulfate 6412 110.97578 16.007223 Methylguanidine 10111 HMDB0001522 74.07125 6.083035983 Mevalonic acid 134965 HMDB0000227 147.066245 8.740303375 Mucic acid 3037582 HMDB0000639 209.030152 14.0034376 Muscimol 4266 115.0502238 7.410741125 "myo-Inositol 1-phosphate myo-Inositol 3-phosphate" "107737 440194" "HMDB0000213 HMDB0006814" 259.0222967 10.47402213 Myristoleic acid 5281119 HMDB0002000 225.185875 7.647960325 N,N-Dimethylglycine 673 HMDB0000092 104.0705398 10.81743394 N-(1-Deoxy-1-fructosyl)valine 131752247 HMDB0037844 280.13878 14.08885594 N-Acetyl-β-alanine 76406 130.0508469 9.177582219 N-Acetylalanine 88064 HMDB0000766 130.0509769 9.04286075 N-Acetylasparagine 99715 HMDB0006028 173.0566825 8.577104 N-Acetylaspartic acid 65065 HMDB0000812 174.0406931 14.75504288 N-Acetylglucosamine 1-phosphate 440272 HMDB0001367 300.049045 9.739040125 "N-Acetylglucosamine N-Acetylmannosamine N-Acetylgalactosamine" "439174 439281 35717" "HMDB0000215 HMDB0001129 HMDB0000853" 222.0971063 23.20231438 N-Acetylglucosylamine 439454 HMDB0001104 221.113132 9.8043015 N-Acetylglutamic acid 70914 HMDB0001138 188.0563725 13.45135669 N-Acetylglutamine 25561 HMDB0006029 187.0724173 8.272125233 N-Acetylglycine 10972 HMDB0000532 116.0352943 9.740509813 N-Acetylhistidine 75619 198.0872788 9.684611563 N-Acetylleucine 70912 HMDB0011756 172.0978693 8.264077033 N-Acetyllysine 92907 HMDB0000446 189.1233013 9.646785469 N-Acetylmethionine 448580 HMDB0011745 190.054275 8.290807188 N-Acetylmuramic acid 5462244 292.1037218 7.453827673 N-Acetylneuraminic acid 439197 HMDB0000230 308.09864 7.369217944 N-Acetylornithine 439232 HMDB0003357 175.1076575 9.430630875 N-Acetylphenylalanine 74839 HMDB0000512 206.0821888 8.149574781 N-Acetylputrescine 122356 HMDB0002064 131.1178969 8.310868719 N-Acetylserine 65249 HMDB0002931 148.0604475 24.43005113 N-Acetyltryptophan 439917 245.0931075 7.8981992 N-Acetyltyrosine 68310 HMDB0000866 222.07709 7.929446694 N-Ethylmaleimide_+H2O 4362 144.065546 24.01823773 N-Formylmethionine 439750 HMDB0001015 176.038602 8.628321433 N-Glycolylneuraminic acid 440001 HMDB0000833 324.0935813 7.353231269 N-Methylproline 557 130.0862631 12.40612494 N1-Methyl-4-pyridone-5-carboxamide 440810 HMDB0004194 153.0658306 18.99279431 N1-Methylguanosine 96373 HMDB0001563 298.1143881 11.85500334 N2-Acetylaminoadipic acid 443992 202.07216 12.424466 N6,N6,N6-Trimethyllysine 440120 HMDB0001325 189.1596719 7.047971644 N6-Acetyllysine 92832 HMDB0000206 189.1233013 11.34832513 N6-Methyl-2'-deoxyadenosine 168948 266.123577 9.8403101 N6-Methyllysine 164795 HMDB0002038 161.1282988 6.964847856 N8-Acetylspermidine 123689 HMDB0002189 188.1756825 6.229227469 Nalidixic acid 4421 231.0773563 8.060656 Nicotinamide 936 HMDB0001406 123.0552 7.262288256 "Noradrenaline 6-Hydroxydopamine" "439260 4624" "HMDB0000216 HMDB0001537" 170.081096 8.8520417 N’-Formylkynurenine 910 HMDB0001200 237.0868588 12.04048525 Nω-Methylarginine 132862 189.13445 7.315725869 O-Acetylcarnitine 439756 HMDB0000201 204.1229263 8.88664975 o-Hydroxybenzoic acid 338 HMDB0001895 137.0243693 10.66581496 O-Sulfoserine 164701 183.9919457 10.73117143 Octanoylcarnitine 11953814 HMDB0000791 288.2169429 10.28703486 Octopine 440237 247.14008 10.591394 Ophthalmic acid 7018721 HMDB0005765 290.1345 13.20732456 Ornithine 389 HMDB0000214,HMDB0003374 133.0970938 6.688491556 Orotic acid 967 HMDB0000226 155.0098756 10.15872253 Orotidine 92751 HMDB0000788 287.052115 8.127243188 "p-Hydroxymandelic acid Homogentisic acid" "328 780" "HMDB0000822 HMDB0000130" 167.0349 8.76323575 p-Hydroxyphenylpyruvic acid 979 HMDB0000707 179.034928 8.904305933 Pantothenic acid 6613 HMDB0000210 218.1033413 7.837696513 Pargyline 4688 160.1127291 8.273089727 Perillic acid 1256 HMDB0004586 165.0919813 8.314040969 Phe 994 HMDB0000159 166.0861413 10.98284788 "Phenaceturic acid N-(o-Toluoyl)glycine" "68144 91637" "HMDB0000821 HMDB0011723" 192.06658 8.385117625 Phenol 996 HMDB0000228 93.03451125 5.778551938 Phosphocreatine 9548602 HMDB0001511 210.02844 12.48909088 Phosphorylcholine 1014 HMDB0001565 184.0733388 21.43344231 Phthalic acid 1017 HMDB0002107 165.01907 16.085588 Picolinic acid 1018 HMDB0002243 124.039321 19.27760083 Pipecolic acid 439227 HMDB0000070,HMDB0000716,HMDB0005960 130.0862525 10.146101 Piperidine 8082 86.09637714 6.8435814 Pro 614 HMDB0000162,HMDB0003411 116.0705914 10.69093931 Propionic acid 1032 HMDB0000237 73.02939125 11.1092385 Prostaglandin E2 5280360 HMDB0001220 351.21765 7.238762614 Putrescine 1045 HMDB0001414 89.10726125 4.559643544 Pyridoxal 1050 HMDB0001545 168.0654425 8.636551688 Pyridoxamine 1052 HMDB0001431 169.0970914 5.859574843 Pyridoxine 1054 HMDB0000239 170.0810122 8.49282 Pyruvic acid 1060 HMDB0000243 87.008715 13.17088025 Quinolinic acid 1066 HMDB0000232 166.0144536 15.81057759 Retinoic acid 444795 HMDB0001852 299.2016286 7.353370871 Riboflavin 493570 HMDB0000244 377.1453513 23.04157225 Ribose 5-phosphate 439167 HMDB0001548 229.0117608 10.78915542 Ribulose 5-phosphate 439184 HMDB0000618 229.0116938 11.20576906 S-Adenosylhomocysteine 439155 HMDB0000939 385.1287707 8.596364067 S-Adenosylmethionine 34755 HMDB0001185 399.1444563 6.976724475 S-Carboxymethylcysteine 193653 180.0324406 13.01633453 S-Lactoylglutathione 440018 HMDB0001066 380.1121 13.806778 S-Methylcysteine 24417 HMDB0002108 136.0426575 11.47917488 S-Methylglutathione 115260 322.10658 13.35719556 S-Methylmethionine 145692 164.073775 7.164565119 S-Sulfocysteine 115015 HMDB0000731 199.9692294 11.38558459 Saccharopine 160556 HMDB0000279 277.13933 10.60741007 Sarcosine 1088 HMDB0000271 90.05490938 9.329088813 SDMA 169148 HMDB0003334 203.1502006 7.653704656 Sebacic acid 5192 HMDB0000792 201.11308 11.627408 Sedoheptulose 7-phosphate 165007 HMDB0001068 289.0329931 9.8042765 Ser 617 HMDB0000187,HMDB0003406 106.0498738 9.845098313 Serotonin 5202 HMDB0000259 177.1021581 8.630061063 Spermidine 1102 HMDB0001257 146.165175 4.525093306 Spermine 1103 HMDB0001256 203.2229788 4.502982069 Stachydrine 115244 HMDB0004827 144.101865 11.41698706 Suberic acid 10457 HMDB0000893 173.0818009 13.0363495 Succinic acid 1110 HMDB0000254 117.01931 21.5115256 Sulfotyrosine 514186 260.0234875 8.544837969 Taurine 1123 HMDB0000251 126.0218781 23.17409419 Taurocholic acid 46783527 HMDB0000036 514.2841125 6.900060619 Taurocyamine 68340 HMDB0003584 168.04372 23.1689434 Thiamine 1130 HMDB0000235 265.1116125 6.467758969 Thiamine diphosphate 1132 HMDB0001372 423.0301 8.091648 Thiamine phosphate 1131 HMDB0002666 345.0780375 10.59471081 Thiaproline 9934 134.0269938 14.01961509 Thr 6288 HMDB0000167 120.06551 10.39148613 threo-β-Methylaspartic acid 440064 148.0604033 12.25796613 Threonic acid 5460407 HMDB0000943 135.0299475 9.416961031 Thymidine 5789 HMDB0000273 243.0976013 23.22034419 Thymine 1135 HMDB0000262 127.0500725 23.22136531 trans-Cinnamic acid 444539 HMDB0000930 147.045085 9.0640661 trans-Glutaconic acid 5280498 HMDB0000620 131.0339273 24.19424113 Triethanolamine 7618 150.1124869 8.101870469 Trigonelline 5570 HMDB0000875 138.054895 10.32501113 Trimethylamine 1146 HMDB0000906 60.08088777 5.790250023 Trimethylamine N-oxide 1145 HMDB0000925 76.07563963 6.479621113 Trp 1148 HMDB0000929 205.0969844 10.90878394 Tyr 1153 HMDB0000158 182.0810706 11.26073084 Tyr-Glu 311.1236638 11.04545315 Tyrosine methyl ester 70652 196.0968713 9.059496625 UDP 6031 HMDB0000295 402.9953 11.9160845 "UDP-glucose UDP-galactose" "8629 23724458" "HMDB0000286 HMDB0000302" 565.0475 8.806845813 "UDP-N-acetylglucosamine UDP-N-acetylgalactosamine" "445675 23724461" "HMDB0000290 HMDB0000304" 606.0747457 8.610495429 UMP 6030 HMDB0000288 323.02868 10.0014886 Uracil 1174 HMDB0000300 113.0344975 23.21811456 Urea 1176 HMDB0000294 61.03965556 22.11037069 Ureidoglycolic acid 439269 HMDB0001005 133.02545 9.908567 Uric acid 1175 HMDB0000289 167.0210475 9.079668875 Uridine 6029 HMDB0000296 245.0766425 23.25237488 Urocanic acid 736715 HMDB0000301 139.0501775 8.142913063 UTP 6133 HMDB0000285 482.96085 12.8671065 Val 1182 HMDB0000883 118.08621 9.882917781 XA0003 124.9913255 12.82195745 XA0004 144.0301863 9.497173594 XA0012 166.0178825 9.608073688 XA0013 172.99133 11.05272597 XA0017 186.1134491 8.070169955 XA0019 191.0197 8.466887688 XA0027 227.2015544 7.596447544 XA0035 254.9817 13.94027072 Xanthine 1188 HMDB0000292 153.04082 20.194321 Xanthosine 64959 HMDB0000299 283.0684 7.788366827 Xanthurenic acid 5699 HMDB0000881 204.0300367 12.82118342 XC0016 129.0658 8.631145688 XC0017 130.0975067 7.677389711 XC0029 144.10191 12.17549527 XC0040 174.0872788 12.10323481 "XC0061 Propionylcarnitine" "0 188824" " HMDB0000824" 218.138605 9.181601094 XC0065 221.0919975 13.08342109 XC0071 234.1811125 6.114824488 "XC0089 Nicotinamide riboside" "0 439924" "HMDB0000855" 255.0974569 9.389053688 XC0120 298.0525013 9.332865781 XC0126 310.1131575 15.08819688 XC0132 325.16045 8.54040725 XC0145 15331 161.0925208 9.125895667 XC0146 203443 163.107642 8.543017 XC0150 11082 217.063725 10.459611 Xylulose 5-phosphate 439190 HMDB0000868 229.0115986 10.80729804 β-Ala 239 HMDB0000056 90.05492875 7.207221525 β-Ala-Lys 440638 218.1497038 6.6668985 β-Tyr 440311 HMDB0003831 182.0811089 9.417910889 γ-Butyrobetaine 134 HMDB0001161 146.1175325 7.950668738 γ-Glu-Ala 440103 HMDB0006248 219.09752 12.24547956 γ-Glu-Arg_divalent 20719180 152.5843931 8.563628375 γ-Glu-Asn 131801686 HMDB0029144 262.10327 12.69064188 γ-Glu-Asp 161197 HMDB0030419 263.0875314 13.020948 γ-Glu-Citrulline 305.1454906 13.17270175 γ-Glu-Gln 150914 HMDB0011738 276.119064 12.96815577 γ-Glu-Glu 92865 HMDB0011737 277.1030169 13.07747175 γ-Glu-Gly 165527 HMDB0011667 205.0817956 11.96369519 γ-Glu-His 7017195 HMDB0029151 285.1192975 8.5614615 "γ-Glu-Ile γ-Glu-Leu" "22885096 151023" "HMDB0011170 HMDB0011171" 261.144435 12.88811678 γ-Glu-Lys_divalent 65254 138.5813525 8.431310688 γ-Glu-Met 7009567 HMDB0034367 279.1008988 12.92220028 γ-Glu-Ornitine 189156 HMDB0002248 262.1394211 8.339528778 γ-Glu-Phe 111299 HMDB0000594 295.128695 13.01091263 γ-Glu-Ser 22844748 HMDB0029158 235.0924056 12.54511919 γ-Glu-Taurine 68759 HMDB0004195 253.0498756 8.307880844 γ-Glu-Thr 53861142 HMDB0029159 249.1080819 12.67928619 γ-Glu-Trp 3038501 HMDB0029160 334.1396044 13.10831628 γ-Glu-Tyr 94340 HMDB0011741 311.123785 13.22030288 γ-Glu-Val 7015683 HMDB0011172 247.128785 12.66738775 γ-Glu-Val-Gly 304.1504175 13.38105163 METABOLITES_END #END