#METABOLOMICS WORKBENCH Kazuya_Ohno_20220418_003737 DATATRACK_ID:3207 STUDY_ID:ST002153 ANALYSIS_ID:AN003527 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 Reversed phase CH:INSTRUMENT_NAME Agilent 1200 CH:COLUMN_NAME ODS column CH:INTERNAL_STANDARD H3304-1002, Human Metabolome Technologies, Inc. (HMT), Tsuruoka, Yamagata, Japan #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6210 TOF MS:INSTRUMENT_TYPE Triple TOF MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS The spectrometer was scanned from m/z 50 to 1,000 and peaks were extracted using MS:MS_COMMENTS MasterHands, automatic integration software (Keio University, Tsuruoka, MS:MS_COMMENTS Yamagata, Japan) #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 1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-1 N.D. 2.4E-05 2.2E-05 2.5E-05 2.1E-05 2.2E-05 N.D. 3.6E-05 N.D. N.D. 1.4E-05 2.4E-05 2.5E-05 1.8E-05 2.4E-05 N.D. 1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-2 1.3E-05 2.0E-05 2.7E-05 1.3E-05 1.5E-05 2.3E-05 2.4E-05 N.D. N.D. N.D. N.D. N.D. 2.2E-05 1.6E-05 1.4E-05 N.D. 1,2-Distearoyl-glycero-3-phosphocholine 9.8E-05 8.8E-05 1.2E-04 3.9E-05 2.0E-04 2.4E-04 2.0E-04 N.D. 1.1E-04 5.5E-05 4.2E-05 7.1E-05 1.4E-04 N.D. 7.1E-05 7.6E-05 1-Myristoyl-glycero-3-phosphocholine N.D. 2.7E-05 2.8E-05 6.5E-05 5.7E-05 4.9E-05 N.D. N.D. N.D. N.D. 6.2E-05 1.2E-04 7.3E-05 N.D. 4.8E-05 N.D. 15(S)-HETE 2.7E-05 2.1E-05 1.3E-05 2.4E-05 1.3E-05 2.3E-05 1.7E-05 2.5E-04 3.2E-05 4.1E-05 8.7E-05 9.5E-05 3.4E-05 3.8E-05 3.7E-05 2.2E-05 "17α-Hydroxyprogesterone-1 Deoxycorticosterone-1" 3.1E-05 4.9E-05 N.D. 2.3E-05 2.5E-05 4.3E-05 4.2E-05 3.1E-05 2.1E-05 6.1E-05 7.3E-05 5.4E-05 3.0E-05 1.9E-05 N.D. 5.8E-05 "17α-Hydroxyprogesterone-2 Deoxycorticosterone-2 5β-pregnane-3α,21-diol-11,20-dione" 4.5E-04 3.7E-04 8.6E-05 3.2E-04 2.6E-04 2.5E-04 6.8E-05 5.4E-04 3.7E-04 2.1E-04 2.7E-04 3.8E-04 3.9E-04 3.2E-04 6.1E-05 1.2E-04 17α-Hydroxyprogesterone-3 2.1E-05 3.8E-05 2.3E-05 2.1E-05 N.D. 3.4E-05 6.6E-05 3.5E-05 N.D. 2.5E-05 4.2E-05 5.0E-05 2.9E-05 N.D. 2.0E-05 4.5E-05 2-Arachidonoylglycerol-1 1.2E-05 N.D. 5.7E-05 1.7E-05 N.D. N.D. N.D. 3.2E-05 N.D. 5.0E-05 N.D. N.D. 4.3E-05 3.8E-05 N.D. 2.4E-05 2-Arachidonoylglycerol-2 4.2E-04 7.1E-04 9.5E-04 5.5E-04 8.5E-04 7.0E-04 6.4E-04 7.5E-04 7.1E-04 7.6E-04 4.2E-04 4.5E-04 7.4E-04 1.0E-03 N.D. 9.7E-04 2-Hydroxytetradecanoic acid-1 1.1E-05 N.D. N.D. N.D. N.D. N.D. 6.2E-06 5.3E-06 N.D. 8.6E-06 N.D. N.D. N.D. 9.3E-06 N.D. N.D. "2-Hydroxytetradecanoic acid-2 3-Hydroxytetradecanoic acid-2" 1.9E-05 1.3E-05 9.1E-06 6.6E-06 9.6E-06 9.3E-06 1.8E-05 2.4E-05 1.4E-05 1.3E-05 1.6E-05 7.6E-06 1.2E-05 1.7E-05 3.7E-06 1.2E-05 20α-Hydroxycholesterol 6.1E-05 1.0E-04 5.2E-05 N.D. N.D. N.D. 5.2E-05 4.9E-05 N.D. 1.2E-04 3.7E-05 N.D. 6.4E-05 4.5E-05 N.D. 2.7E-05 20α-Hydroxyprogesterone 2.3E-04 N.D. N.D. 2.1E-04 2.0E-04 2.3E-05 N.D. 2.4E-04 4.8E-04 1.1E-04 2.2E-05 6.0E-04 1.4E-04 1.8E-04 N.D. 2.9E-05 21-Deoxycortisol-2 4.6E-05 1.6E-04 1.6E-04 6.6E-05 6.7E-05 1.3E-04 1.5E-04 3.5E-05 4.9E-05 1.0E-04 2.3E-04 5.1E-05 7.3E-05 7.4E-05 1.8E-04 1.5E-04 22-Hydroxycholesterol N.D. 8.3E-05 N.D. N.D. 7.7E-05 N.D. N.D. 1.2E-04 N.D. 1.6E-04 N.D. N.D. 6.3E-05 3.7E-05 N.D. N.D. 3-Hydroxytetradecanoic acid-1 1.5E-05 3.2E-05 3.3E-05 1.9E-05 2.0E-05 2.2E-05 3.5E-05 6.2E-05 3.2E-05 3.6E-05 1.1E-05 1.7E-05 4.1E-05 3.0E-05 1.6E-05 1.7E-05 4-Androstene-3,17-dione 3.4E-05 8.4E-05 3.7E-05 4.7E-05 4.6E-05 4.6E-05 4.7E-05 5.2E-05 5.7E-05 7.9E-05 4.0E-05 3.9E-05 4.6E-05 3.8E-05 3.9E-05 4.2E-05 5-Methoxyindoleacetic acid 1.2E-04 2.3E-04 2.2E-04 1.1E-04 2.9E-04 3.4E-04 4.3E-04 3.1E-04 2.3E-04 1.6E-04 9.8E-05 1.5E-04 5.4E-04 3.6E-04 3.8E-04 3.4E-04 5α-Cholestan-3-one-1 1.6E-05 4.2E-05 2.8E-05 3.5E-05 3.3E-05 3.0E-05 4.1E-05 2.7E-05 2.9E-05 3.7E-05 4.0E-05 2.9E-05 5.5E-05 3.5E-05 3.9E-05 4.7E-05 5α-Cholestan-3-one-2 2.9E-04 2.7E-04 3.9E-04 3.2E-04 2.9E-04 2.9E-04 3.6E-04 2.2E-04 2.4E-04 3.4E-04 3.7E-04 2.8E-04 2.7E-04 2.6E-04 3.0E-04 3.7E-04 5α-Pregnan-3α-ol-20-one N.D. 5.2E-05 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 7.1E-05 N.D. 4.7E-05 6.8E-05 5.9E-05 4.1E-05 "5α-Pregnane-3,20-dione Pregnenolone" 3.4E-05 3.0E-05 N.D. N.D. N.D. 4.8E-05 N.D. 4.3E-05 N.D. 5.6E-05 N.D. N.D. N.D. N.D. 8.6E-05 N.D. "7-Dehydrocholesterol-1 Desmosterol-1" 6.2E-05 4.7E-05 9.0E-05 7.6E-05 4.9E-05 6.0E-05 9.0E-05 6.3E-05 N.D. 8.5E-05 6.4E-05 7.6E-05 6.0E-05 7.2E-05 8.1E-05 9.9E-05 "7-Dehydrocholesterol-2 Desmosterol-2" 9.4E-05 1.0E-04 1.7E-04 1.5E-04 1.1E-04 6.5E-05 1.4E-04 1.3E-04 1.0E-04 1.2E-04 9.9E-05 1.4E-04 1.4E-04 7.7E-05 9.4E-05 1.2E-04 "7-Dehydrocholesterol-3 Desmosterol-3" 5.9E-05 N.D. 8.5E-05 N.D. N.D. 7.2E-05 9.0E-05 N.D. 4.1E-05 N.D. 5.4E-05 5.6E-05 N.D. 7.7E-05 N.D. 6.5E-05 Abietic acid-1 2.2E-04 3.3E-04 3.8E-04 2.7E-04 5.1E-04 3.9E-04 3.6E-04 2.7E-04 2.2E-04 2.3E-04 2.6E-04 2.0E-04 2.8E-04 2.8E-04 3.6E-04 4.4E-04 Abietic acid-2 8.9E-05 1.2E-04 1.1E-04 1.3E-04 N.D. 8.0E-05 1.1E-04 1.0E-04 5.6E-05 8.8E-05 9.0E-05 1.5E-04 1.1E-04 1.1E-04 8.5E-05 8.9E-05 AC(10:0) N.D. N.D. N.D. 8.6E-05 N.D. 6.6E-05 N.D. 8.6E-05 6.3E-05 N.D. N.D. 6.9E-05 4.1E-05 6.2E-05 N.D. N.D. AC(12:0)-1 3.9E-05 N.D. N.D. 8.5E-05 7.1E-05 N.D. N.D. 1.1E-04 8.0E-05 6.9E-05 4.5E-05 4.2E-05 4.9E-05 6.1E-05 N.D. 3.4E-05 AC(12:0)-2 6.4E-05 9.0E-05 8.3E-05 1.3E-04 7.2E-05 9.8E-05 N.D. 1.8E-04 1.5E-04 1.0E-04 5.5E-05 1.0E-04 1.3E-04 1.4E-04 1.1E-04 1.9E-04 AC(12:1) 8.9E-05 4.6E-05 4.7E-05 2.2E-04 1.5E-04 7.4E-05 N.D. 2.0E-04 1.9E-04 7.3E-05 N.D. 1.1E-04 5.1E-05 2.0E-04 1.0E-04 7.6E-05 AC(13:1) 3.9E-05 3.2E-05 N.D. 7.1E-05 6.4E-05 4.3E-05 2.2E-05 1.2E-04 4.6E-05 3.5E-05 2.6E-05 4.4E-05 3.5E-05 6.6E-05 3.8E-05 3.6E-05 AC(14:0)-1 2.3E-04 3.1E-04 3.1E-04 5.8E-04 4.6E-04 4.1E-04 8.4E-05 7.9E-04 8.1E-04 4.0E-04 2.7E-04 4.6E-04 4.4E-04 7.0E-04 7.2E-04 7.6E-04 AC(14:0)-2 N.D. N.D. N.D. N.D. 4.0E-05 N.D. N.D. N.D. 5.3E-05 3.2E-05 N.D. N.D. 2.3E-05 3.6E-05 3.1E-05 3.5E-05 AC(14:1)-1 2.2E-04 3.1E-04 2.7E-04 6.7E-04 4.5E-04 4.5E-04 7.7E-05 6.5E-04 5.2E-04 3.5E-04 2.0E-04 5.0E-04 3.3E-04 7.2E-04 5.8E-04 5.5E-04 AC(14:1)-2 4.5E-05 6.3E-05 8.9E-05 1.0E-04 1.0E-04 9.4E-05 1.5E-05 1.0E-04 1.1E-04 8.9E-05 2.0E-05 7.9E-05 3.3E-05 1.5E-04 1.6E-04 1.3E-04 AC(14:1)-3 2.0E-05 N.D. N.D. 4.4E-05 5.4E-05 2.3E-05 N.D. 8.6E-05 3.8E-05 1.6E-05 N.D. 3.4E-05 N.D. 3.6E-05 N.D. N.D. AC(14:2) 7.5E-05 1.3E-04 1.3E-04 2.4E-04 1.7E-04 1.9E-04 2.7E-05 2.5E-04 1.9E-04 1.0E-04 6.9E-05 1.5E-04 1.7E-04 2.4E-04 2.8E-04 2.2E-04 AC(14:3) N.D. 7.1E-06 1.4E-05 2.0E-05 N.D. N.D. N.D. N.D. N.D. N.D. N.D. 2.0E-05 N.D. 3.7E-05 2.4E-05 1.7E-05 AC(15:0) 4.5E-05 2.3E-05 2.9E-05 3.6E-05 4.0E-05 3.4E-05 N.D. 4.5E-05 3.9E-05 6.2E-05 3.6E-05 4.4E-05 1.9E-05 4.8E-05 4.6E-05 6.0E-05 AC(16:1)-1 4.5E-05 5.1E-05 N.D. 4.4E-05 1.2E-05 3.8E-05 1.8E-05 6.8E-05 4.8E-05 6.6E-05 7.3E-05 6.5E-05 3.7E-05 6.1E-05 3.1E-05 4.2E-05 AC(16:1)-2 3.6E-04 4.7E-04 6.3E-04 8.5E-04 6.0E-04 7.2E-04 1.2E-04 8.6E-04 9.6E-04 6.5E-04 2.9E-04 6.7E-04 7.0E-04 1.0E-03 9.7E-04 8.8E-04 AC(16:2)-1 4.5E-05 N.D. 1.1E-05 4.4E-05 3.7E-05 2.8E-05 2.1E-05 4.4E-05 6.6E-05 4.6E-05 N.D. 4.5E-05 1.4E-05 3.2E-05 1.8E-05 N.D. AC(16:2)-2 1.1E-04 1.6E-04 1.8E-04 2.4E-04 2.4E-04 2.6E-04 6.0E-05 3.1E-04 2.6E-04 1.4E-04 1.1E-04 2.4E-04 1.8E-04 2.8E-04 3.2E-04 4.2E-04 AC(17:0)-1 N.D. 2.7E-05 N.D. 1.7E-05 2.4E-05 1.8E-05 N.D. N.D. N.D. 2.2E-05 N.D. N.D. N.D. N.D. N.D. N.D. AC(17:0)-2 2.5E-05 3.6E-05 3.3E-05 6.4E-05 6.2E-05 3.2E-05 N.D. 4.4E-05 6.7E-05 2.9E-05 3.2E-05 4.4E-05 6.4E-05 5.2E-05 7.7E-05 6.9E-05 AC(17:0)-3 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 1.6E-04 N.D. N.D. N.D. N.D. N.D. AC(17:1) N.D. 4.6E-05 2.9E-05 6.6E-05 5.7E-05 5.1E-05 N.D. 3.5E-05 6.4E-05 4.4E-05 2.8E-05 4.5E-05 3.5E-05 4.7E-05 6.4E-05 5.5E-05 AC(18:0) 4.7E-04 5.8E-04 4.5E-04 9.6E-04 6.2E-04 5.1E-04 2.0E-04 9.2E-04 9.5E-04 5.5E-04 7.7E-04 7.9E-04 6.2E-04 8.0E-04 7.5E-04 6.8E-04 AC(18:1)-1 N.D. N.D. N.D. 2.4E-05 4.3E-05 N.D. N.D. N.D. 5.3E-05 4.6E-05 N.D. N.D. N.D. 2.9E-05 N.D. 3.7E-05 AC(18:1)-2 2.1E-03 2.3E-03 2.7E-03 4.3E-03 2.9E-03 3.1E-03 6.4E-04 3.8E-03 4.2E-03 2.3E-03 2.3E-03 3.6E-03 2.8E-03 4.5E-03 4.4E-03 4.5E-03 AC(18:2)-1 4.3E-05 3.1E-05 N.D. 5.6E-05 8.7E-05 4.1E-05 N.D. 1.1E-04 7.5E-05 4.1E-05 4.8E-05 9.4E-05 4.5E-05 7.7E-05 8.6E-05 8.6E-05 AC(18:2)-2 9.9E-04 1.3E-03 1.3E-03 1.9E-03 1.6E-03 1.9E-03 4.3E-04 1.9E-03 1.9E-03 1.2E-03 1.3E-03 1.7E-03 1.5E-03 2.2E-03 2.3E-03 2.7E-03 AC(20:0) 4.6E-05 6.8E-05 5.9E-05 7.0E-05 6.1E-05 2.9E-05 1.5E-05 5.3E-05 7.4E-05 5.3E-05 1.1E-04 4.7E-05 5.2E-05 5.3E-05 6.6E-05 5.7E-05 AC(20:1) 1.6E-04 2.2E-04 1.9E-04 2.6E-04 2.5E-04 2.7E-04 1.3E-04 2.4E-04 1.8E-04 2.3E-04 2.7E-04 2.4E-04 1.9E-04 2.6E-04 3.3E-04 3.0E-04 AC(22:0) 2.7E-05 4.0E-05 3.2E-05 4.9E-05 2.6E-05 3.0E-05 1.0E-05 3.1E-05 5.1E-05 3.6E-05 8.1E-05 4.5E-05 3.8E-05 3.3E-05 6.6E-05 5.9E-05 AEA(18:3) 3.3E-05 2.3E-05 2.1E-05 N.D. N.D. N.D. N.D. N.D. 3.2E-05 N.D. N.D. N.D. 4.6E-05 N.D. 2.0E-05 2.4E-05 AEA(20:3) N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 2.6E-05 N.D. N.D. 1.7E-05 N.D. N.D. N.D. AEA(20:5) N.D. N.D. N.D. 4.5E-05 9.6E-05 N.D. 1.3E-04 9.4E-05 N.D. 1.0E-04 N.D. N.D. 7.6E-05 N.D. 1.0E-04 N.D. AEA(22:4)-1 N.D. N.D. 1.2E-04 N.D. N.D. N.D. 1.2E-04 N.D. N.D. N.D. N.D. N.D. N.D. 2.6E-04 N.D. 6.9E-05 AEA(22:4)-2 2.5E-04 8.0E-05 N.D. 1.2E-04 2.3E-04 N.D. 2.2E-04 N.D. 1.5E-04 N.D. 3.7E-04 N.D. N.D. 3.7E-04 N.D. 2.1E-04 AEA(22:6) 1.6E-04 1.8E-04 1.5E-04 1.6E-04 1.4E-04 1.4E-04 1.0E-04 1.7E-04 1.5E-04 1.6E-04 1.4E-04 1.8E-04 1.5E-04 1.9E-04 1.3E-04 1.6E-04 Anandamide 8.3E-05 N.D. 5.5E-05 8.6E-05 1.1E-04 1.0E-04 4.9E-05 1.5E-04 8.0E-05 N.D. 4.6E-05 1.2E-04 7.8E-05 1.4E-04 8.0E-05 7.9E-05 Androstanediol N.D. N.D. N.D. 4.9E-05 N.D. 6.9E-05 N.D. N.D. 6.7E-05 N.D. N.D. N.D. N.D. 5.9E-05 N.D. N.D. Androsterone 5.0E-05 N.D. N.D. 1.8E-05 N.D. N.D. 3.6E-05 4.5E-05 N.D. N.D. 3.2E-05 N.D. 3.5E-05 N.D. N.D. 3.4E-05 Arachidic acid 4.2E-05 5.5E-05 7.1E-05 5.1E-05 6.8E-05 6.0E-05 8.7E-05 4.0E-05 3.4E-05 4.9E-05 6.5E-05 3.9E-05 1.7E-04 4.6E-05 5.1E-05 8.1E-05 Arachidonic acid 8.5E-03 5.8E-03 7.3E-03 9.2E-03 4.8E-03 6.0E-03 6.6E-03 9.3E-03 4.8E-03 4.9E-03 5.0E-03 9.3E-03 6.5E-03 6.7E-03 4.4E-03 4.9E-03 Asiatic acid-1 N.D. N.D. N.D. N.D. 9.2E-06 6.3E-06 N.D. 3.9E-06 6.7E-06 N.D. N.D. N.D. N.D. 6.1E-06 1.1E-05 9.6E-06 Asiatic acid-2 N.D. N.D. N.D. N.D. 1.2E-05 N.D. 1.0E-05 5.8E-06 N.D. 8.6E-06 N.D. N.D. N.D. N.D. 1.1E-05 1.2E-05 Astaxanthin N.D. 2.4E-05 2.1E-05 N.D. 1.9E-05 N.D. N.D. N.D. N.D. 2.2E-05 8.3E-06 N.D. 1.9E-05 1.1E-05 1.2E-05 1.6E-05 Baicalein 4.2E-04 5.9E-05 1.9E-05 2.8E-04 4.6E-04 1.1E-04 1.1E-04 4.1E-04 3.8E-04 1.9E-04 1.3E-04 2.2E-04 1.9E-04 3.1E-04 2.7E-04 1.5E-04 Behenic acid 1.6E-05 1.8E-05 1.6E-05 1.1E-05 2.2E-05 1.5E-05 2.6E-05 1.3E-05 1.1E-05 1.8E-05 2.2E-05 1.3E-05 2.9E-05 1.3E-05 2.2E-05 1.9E-05 Biotin N.D. N.D. N.D. N.D. 3.0E-05 N.D. 1.5E-05 N.D. 4.9E-05 N.D. N.D. N.D. 2.6E-05 4.3E-05 2.0E-05 3.5E-05 Caffeic acid N.D. N.D. N.D. N.D. N.D. N.D. N.D. 1.4E-05 6.1E-06 N.D. N.D. N.D. N.D. N.D. N.D. N.D. Campesterol 1.3E-03 1.6E-03 2.0E-03 1.7E-03 1.1E-03 1.2E-03 1.6E-03 1.1E-03 1.1E-03 1.6E-03 1.5E-03 1.5E-03 1.6E-03 1.1E-03 1.1E-03 1.6E-03 Chenodeoxycholic acid 1.2E-05 N.D. N.D. 1.2E-05 3.1E-04 N.D. 1.0E-05 2.9E-05 4.6E-05 4.8E-04 N.D. 1.2E-05 2.2E-05 1.9E-05 1.8E-04 8.7E-05 Cholesterol 5.1E-02 5.2E-02 7.0E-02 6.2E-02 5.1E-02 4.9E-02 6.6E-02 4.3E-02 4.7E-02 5.9E-02 6.1E-02 6.7E-02 5.7E-02 4.3E-02 5.7E-02 6.3E-02 Cholesterol sulfate 7.2E-03 5.7E-03 5.3E-03 8.4E-03 5.8E-03 5.7E-03 6.6E-03 6.6E-03 7.6E-03 7.2E-03 5.3E-03 7.7E-03 6.2E-03 5.8E-03 6.4E-03 7.4E-03 Cholic acid 4.1E-04 9.2E-05 3.9E-04 7.6E-04 2.5E-02 4.4E-04 3.1E-04 9.3E-04 4.5E-03 1.4E-02 1.3E-04 1.5E-04 4.2E-04 1.5E-03 1.2E-02 1.1E-02 cis-11,14-Eicosadienoic acid-1 1.1E-05 1.1E-05 1.3E-05 1.3E-05 1.0E-05 N.D. 9.6E-06 2.1E-05 1.1E-05 8.7E-06 5.8E-06 1.1E-05 2.2E-05 1.6E-05 1.1E-05 N.D. cis-11,14-Eicosadienoic acid-2 1.8E-04 2.6E-04 3.1E-04 2.1E-04 2.0E-04 2.7E-04 2.4E-04 2.5E-04 2.1E-04 2.0E-04 1.9E-04 2.3E-04 2.2E-04 2.5E-04 2.4E-04 2.5E-04 cis-11,14-Eicosadienoic acid-3 3.2E-05 4.9E-05 4.8E-05 3.4E-05 4.5E-05 4.4E-05 3.7E-05 3.9E-05 2.0E-05 3.8E-05 4.4E-05 3.2E-05 3.5E-05 4.5E-05 4.4E-05 5.4E-05 cis-11-Eicosenoic acid 4.7E-04 6.0E-04 7.5E-04 5.3E-04 6.0E-04 7.7E-04 7.7E-04 5.0E-04 3.6E-04 4.3E-04 4.6E-04 5.4E-04 8.4E-04 6.2E-04 7.2E-04 7.9E-04 cis-4,7,10,13,16,19-Docosahexaenoic acid-1 3.3E-03 4.5E-03 5.8E-03 3.6E-03 2.5E-03 3.6E-03 3.6E-03 3.4E-03 3.3E-03 3.1E-03 3.0E-03 4.7E-03 3.6E-03 4.1E-03 2.7E-03 3.2E-03 cis-4,7,10,13,16,19-Docosahexaenoic acid-2 1.6E-04 2.0E-04 3.9E-04 1.8E-04 1.2E-04 2.5E-04 2.1E-04 1.8E-04 1.4E-04 1.4E-04 8.7E-05 2.8E-04 1.2E-04 2.2E-04 1.9E-04 1.4E-04 cis-5,8,11,14,17-Eicosapentaenoic acid 1.9E-03 2.6E-03 3.0E-03 1.9E-03 1.5E-03 1.9E-03 2.2E-03 1.9E-03 1.3E-03 1.5E-03 1.5E-03 2.3E-03 2.4E-03 2.2E-03 1.5E-03 1.6E-03 cis-8,11,14-Eicosatrienoic acid 4.8E-04 6.2E-04 7.5E-04 4.9E-04 4.0E-04 5.1E-04 5.6E-04 6.1E-04 3.8E-04 3.8E-04 3.2E-04 5.6E-04 5.7E-04 5.3E-04 4.5E-04 4.6E-04 Corosolic acid 1.7E-04 1.3E-04 9.6E-05 1.1E-04 1.2E-04 1.7E-04 1.0E-04 1.3E-04 1.1E-04 1.3E-04 1.4E-04 1.3E-04 1.2E-04 1.3E-04 1.5E-04 1.4E-04 "Cortexolone Corticosterone 21-Deoxycortisol-1" 7.6E-03 5.3E-03 2.7E-03 7.1E-03 6.3E-03 3.7E-03 3.7E-03 7.6E-03 7.7E-03 5.4E-03 4.1E-03 4.8E-03 6.5E-03 7.4E-03 4.0E-03 3.6E-03 "Cortisol-1 18-Hydroxycorticosterone Humulone-1" 4.6E-05 7.6E-05 3.9E-05 5.3E-05 3.0E-05 2.5E-05 3.6E-05 7.2E-05 6.8E-05 5.4E-05 3.2E-05 5.4E-05 4.0E-05 4.6E-05 4.9E-05 4.8E-05 "Cortisol-2 Humulone-2" 2.2E-05 2.4E-05 N.D. 3.9E-05 3.9E-05 N.D. N.D. 3.6E-05 3.8E-05 2.3E-05 N.D. 3.0E-05 2.4E-05 2.8E-05 N.D. 2.4E-05 "Cycloartenol Lanosterol" 1.2E-04 1.2E-04 1.2E-04 1.5E-04 2.2E-04 1.2E-04 2.0E-04 1.6E-04 8.9E-05 1.4E-04 1.1E-04 1.0E-04 2.5E-04 1.4E-04 1.6E-04 1.9E-04 Daidzein 1.7E-04 7.1E-05 3.0E-05 1.0E-04 2.1E-04 9.6E-05 1.4E-04 1.2E-04 8.3E-05 6.8E-05 9.5E-05 4.8E-05 1.1E-04 1.1E-04 1.4E-04 1.0E-04 Deoxycholic acid 4.1E-04 9.5E-05 1.0E-04 3.9E-04 2.6E-03 5.8E-04 1.3E-04 3.8E-04 2.8E-03 2.5E-03 1.7E-04 2.7E-04 4.0E-04 1.8E-03 1.4E-03 1.6E-03 Dethiobiotin 1.1E-04 1.5E-04 1.6E-04 1.1E-04 2.1E-04 1.6E-04 1.7E-04 1.8E-04 2.1E-04 1.2E-04 1.1E-04 1.6E-04 1.2E-04 1.4E-04 1.4E-04 1.7E-04 Diosgenin 1.7E-04 1.2E-04 5.1E-05 3.7E-05 2.5E-05 4.7E-05 7.3E-05 6.3E-05 5.0E-05 2.7E-04 6.1E-05 N.D. 5.0E-05 3.6E-05 5.6E-05 3.3E-05 Ergocalciferol-1 6.5E-05 N.D. N.D. 5.1E-05 N.D. 4.1E-05 N.D. 2.7E-05 N.D. 4.4E-05 N.D. N.D. 3.0E-05 4.9E-05 3.8E-05 4.4E-05 Ergocalciferol-2 5.2E-05 9.2E-05 6.3E-05 4.4E-05 N.D. 3.9E-05 3.3E-05 7.9E-05 4.7E-05 N.D. 5.4E-05 6.7E-05 7.5E-05 7.8E-05 4.3E-05 N.D. Erucic acid 6.2E-05 9.1E-05 4.9E-05 4.6E-05 6.3E-05 6.2E-05 9.5E-05 5.8E-05 5.5E-05 7.1E-05 6.6E-05 4.8E-05 7.0E-05 6.1E-05 5.2E-05 6.6E-05 Ethyl arachidonate-1 3.3E-05 3.1E-05 2.4E-05 2.9E-05 N.D. 2.8E-05 3.0E-05 2.4E-05 N.D. 1.9E-05 N.D. N.D. 2.2E-05 2.4E-05 2.1E-05 2.9E-05 Ethyl arachidonate-2 N.D. 3.4E-05 1.5E-05 N.D. 3.2E-05 4.5E-05 2.2E-05 2.0E-05 N.D. 3.9E-05 3.6E-05 N.D. 1.6E-05 2.1E-05 3.4E-05 3.6E-05 Ethynyl estradiol 9.9E-05 5.2E-05 4.3E-05 6.5E-05 8.1E-05 N.D. N.D. 1.0E-04 3.9E-05 5.9E-05 3.5E-05 4.2E-05 4.6E-05 4.0E-05 6.4E-05 5.8E-05 Etiocholan-3α-ol-17-one glucuronide N.D. N.D. N.D. N.D. 3.6E-06 N.D. N.D. N.D. 4.9E-06 6.9E-06 N.D. N.D. N.D. N.D. N.D. N.D. FA(12:0) 1.1E-05 1.4E-05 1.8E-05 8.0E-06 1.6E-05 8.4E-06 1.6E-05 1.1E-05 1.7E-05 1.2E-05 1.2E-05 1.2E-05 1.7E-05 1.6E-05 1.0E-05 1.0E-05 FA(14:1)-1 1.9E-05 9.4E-06 3.0E-05 1.3E-05 1.3E-05 1.2E-05 1.3E-05 1.4E-05 1.2E-05 1.3E-05 7.3E-06 1.8E-05 1.1E-05 2.5E-05 1.6E-05 1.7E-05 FA(14:1)-2 1.3E-05 1.4E-05 2.0E-05 1.3E-05 1.8E-05 1.5E-05 1.3E-05 2.0E-05 2.0E-05 1.0E-05 N.D. 1.6E-05 1.5E-05 2.0E-05 2.0E-05 1.9E-05 FA(14:2)-1 N.D. N.D. 4.4E-06 N.D. N.D. 7.3E-06 N.D. N.D. N.D. N.D. 4.2E-06 N.D. N.D. N.D. N.D. 9.0E-06 FA(14:2)-2 1.0E-05 7.3E-06 2.0E-05 9.5E-06 9.8E-06 1.5E-05 8.7E-06 7.7E-06 9.8E-06 8.5E-06 8.5E-06 1.1E-05 7.5E-06 1.6E-05 1.2E-05 2.2E-05 FA(14:3) 4.0E-03 6.1E-03 3.9E-03 3.2E-03 4.2E-03 1.7E-03 2.4E-03 3.9E-03 4.1E-03 2.8E-03 2.4E-03 2.3E-03 1.0E-03 2.6E-03 2.8E-03 3.2E-03 FA(15:0) N.D. N.D. 8.3E-06 N.D. 8.9E-06 1.2E-05 8.7E-06 1.2E-05 8.8E-06 1.1E-05 5.6E-06 9.6E-06 2.3E-05 1.1E-05 7.9E-06 1.1E-05 FA(15:1) N.D. N.D. 3.6E-06 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 3.1E-06 5.5E-06 FA(16:2)-1 2.8E-05 5.7E-05 8.9E-05 3.6E-05 4.4E-05 6.6E-05 6.1E-05 3.4E-05 2.9E-05 1.9E-05 3.6E-05 3.5E-05 4.8E-05 5.9E-05 4.6E-05 6.3E-05 FA(16:2)-2 7.2E-06 N.D. 1.1E-05 N.D. N.D. N.D. N.D. 8.8E-06 N.D. 2.9E-06 N.D. 7.4E-06 8.3E-06 N.D. 2.9E-06 N.D. FA(16:3)-1 N.D. 6.2E-05 3.3E-05 4.1E-05 3.6E-05 3.6E-05 3.3E-05 3.9E-05 2.9E-05 N.D. N.D. 2.2E-05 2.4E-05 3.2E-05 2.7E-05 3.3E-05 FA(16:3)-2 N.D. N.D. 9.0E-06 N.D. N.D. 6.9E-06 2.8E-06 N.D. N.D. N.D. N.D. N.D. N.D. N.D. 3.6E-06 N.D. FA(17:0)-1 7.8E-06 2.5E-05 1.6E-05 1.6E-05 6.2E-05 N.D. 7.1E-06 1.3E-05 2.2E-05 3.6E-05 1.6E-05 1.3E-05 1.0E-05 2.1E-05 1.6E-05 2.5E-05 FA(17:1) 9.4E-05 1.2E-04 1.8E-04 1.1E-04 9.7E-05 1.5E-04 1.4E-04 1.3E-04 8.3E-05 8.1E-05 6.9E-05 1.0E-04 1.5E-04 1.4E-04 1.3E-04 1.4E-04 FA(17:2) 1.3E-05 1.4E-05 3.1E-05 9.5E-06 1.3E-05 2.3E-05 1.6E-05 1.2E-05 8.6E-06 6.9E-06 7.0E-06 1.5E-05 1.5E-05 1.3E-05 1.0E-05 1.9E-05 FA(17:3) 2.7E-05 1.9E-05 2.7E-05 1.5E-05 3.2E-05 2.3E-05 2.4E-05 1.6E-05 2.2E-05 2.1E-05 1.9E-05 2.2E-05 2.4E-05 2.7E-05 2.4E-05 2.9E-05 FA(19:0)-1 9.9E-06 8.6E-06 7.1E-06 9.9E-06 3.7E-06 7.9E-06 6.3E-06 1.1E-05 9.9E-06 5.1E-06 1.0E-05 N.D. 9.2E-06 8.6E-06 7.2E-06 1.1E-05 FA(19:0)-2 2.2E-05 2.8E-05 2.1E-05 2.3E-05 2.1E-05 3.1E-05 3.8E-05 2.0E-05 1.8E-05 3.0E-05 3.2E-05 1.9E-05 6.0E-05 2.4E-05 3.0E-05 3.3E-05 FA(19:1) 4.8E-05 6.0E-05 7.2E-05 5.0E-05 5.1E-05 6.9E-05 5.7E-05 5.8E-05 4.3E-05 4.2E-05 4.1E-05 5.4E-05 5.5E-05 7.1E-05 6.6E-05 8.5E-05 FA(19:2) 1.2E-05 1.7E-05 1.8E-05 1.3E-05 1.2E-05 1.7E-05 1.7E-05 1.8E-05 N.D. 1.2E-05 7.6E-06 1.2E-05 1.7E-05 1.3E-05 1.7E-05 1.8E-05 FA(20:3) 3.4E-04 2.5E-04 3.2E-04 4.5E-04 3.6E-04 2.5E-04 2.5E-04 7.3E-04 3.7E-04 3.1E-04 1.4E-04 4.7E-04 5.7E-04 4.1E-04 3.1E-04 3.2E-04 FA(22:2) 8.7E-06 1.5E-05 1.7E-05 6.0E-06 9.0E-06 1.1E-05 1.6E-05 8.7E-06 6.6E-06 1.1E-05 1.3E-05 6.3E-06 1.4E-05 1.3E-05 8.8E-06 1.5E-05 FA(22:3)-1 7.1E-06 1.6E-05 1.2E-05 1.4E-05 1.3E-05 1.7E-05 1.2E-05 1.2E-05 8.9E-06 1.1E-05 1.0E-05 1.0E-05 1.5E-05 1.1E-05 1.1E-05 1.3E-05 FA(22:3)-2 8.1E-06 8.8E-06 1.3E-05 1.1E-05 9.1E-06 4.7E-06 1.5E-05 1.8E-05 1.1E-05 1.3E-05 5.7E-06 1.3E-05 1.1E-05 1.4E-05 1.4E-05 1.5E-05 FA(22:4)-1 6.0E-06 5.6E-06 4.0E-06 7.2E-06 1.0E-05 8.5E-06 8.4E-06 8.7E-06 1.4E-05 5.6E-06 6.0E-06 8.6E-06 7.0E-06 1.4E-05 1.4E-05 6.7E-06 FA(22:4)-2 3.8E-04 3.9E-04 4.8E-04 4.5E-04 3.5E-04 3.8E-04 3.4E-04 5.5E-04 3.8E-04 2.9E-04 2.3E-04 5.0E-04 3.9E-04 4.7E-04 3.1E-04 3.4E-04 FA(22:5)-1 9.2E-04 1.4E-03 2.0E-03 8.9E-04 7.1E-04 1.1E-03 1.2E-03 9.7E-04 6.9E-04 6.8E-04 7.4E-04 1.0E-03 1.2E-03 1.1E-03 7.7E-04 9.1E-04 FA(22:5)-2 1.9E-04 2.2E-04 2.3E-04 2.2E-04 2.3E-04 2.2E-04 1.8E-04 3.6E-04 2.7E-04 2.3E-04 1.4E-04 2.5E-04 2.0E-04 2.7E-04 2.3E-04 2.6E-04 FA(24:0) 8.3E-06 2.6E-06 4.7E-06 8.3E-06 6.5E-06 8.5E-06 N.D. 3.4E-06 5.2E-06 9.2E-06 9.9E-06 4.2E-06 8.9E-06 N.D. 8.8E-06 7.5E-06 FA(24:4) 1.6E-05 9.1E-06 9.5E-06 1.2E-05 1.1E-05 9.7E-06 9.4E-06 1.2E-05 1.2E-05 1.2E-05 9.5E-06 1.2E-05 1.3E-05 1.2E-05 1.2E-05 1.4E-05 FA(24:5) 6.3E-05 8.4E-05 9.2E-05 6.1E-05 7.0E-05 8.9E-05 9.5E-05 8.1E-05 6.2E-05 6.9E-05 5.3E-05 6.7E-05 8.9E-05 9.4E-05 8.6E-05 8.9E-05 FA(25:3) 7.8E-06 4.4E-06 N.D. 8.3E-06 1.3E-05 7.3E-06 9.1E-06 1.5E-05 7.7E-06 1.4E-05 3.9E-06 N.D. 8.3E-06 N.D. 9.4E-06 1.2E-05 Flavanone 6.3E-05 7.0E-05 5.2E-05 N.D. N.D. N.D. N.D. N.D. N.D. 1.7E-04 N.D. N.D. N.D. N.D. N.D. N.D. Genistein 6.0E-05 1.8E-05 1.5E-05 3.7E-05 9.1E-05 4.6E-05 5.6E-05 5.0E-05 3.2E-05 2.9E-05 2.2E-05 1.7E-05 5.5E-05 5.0E-05 6.3E-05 5.9E-05 Glycitein 7.7E-05 3.7E-05 3.1E-05 3.4E-05 1.5E-04 1.2E-04 1.1E-04 1.2E-04 6.2E-05 5.8E-05 6.3E-05 2.5E-05 4.1E-05 6.0E-05 6.6E-05 9.3E-05 Glycochenodeoxycholic acid N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 4.4E-06 N.D. N.D. N.D. N.D. N.D. N.D. N.D. Glycocholic acid 8.7E-06 4.5E-06 N.D. 1.4E-05 9.1E-05 1.9E-05 N.D. 1.2E-05 1.3E-04 7.6E-05 N.D. 7.6E-06 7.7E-06 7.6E-05 8.7E-05 7.4E-05 Glycodeoxycholic acid N.D. N.D. N.D. N.D. 4.2E-06 N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. Glycolithocholic acid N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. N.D. 3.7E-06 N.D. N.D. N.D. 5.3E-06 N.D. N.D. Glycoursodeoxycholic acid N.D. N.D. N.D. N.D. 4.5E-06 N.D. N.D. N.D. 3.9E-06 N.D. N.D. N.D. N.D. N.D. N.D. N.D. Hecogenin-1 7.4E-05 2.2E-05 3.9E-05 8.7E-05 5.0E-05 3.4E-05 2.6E-05 4.4E-05 5.7E-05 6.4E-05 3.1E-05 9.2E-05 2.9E-05 2.8E-05 4.2E-05 3.4E-05 Hecogenin-2 9.1E-04 6.7E-04 3.9E-04 6.8E-04 1.5E-03 7.0E-04 5.6E-04 1.6E-03 1.1E-03 1.6E-03 4.7E-04 1.2E-03 9.4E-04 9.3E-04 9.1E-04 7.4E-04 "Heneicosanoic acid 19-Methylarachidic acid" N.D. 4.6E-06 N.D. N.D. 3.8E-06 N.D. 4.5E-06 N.D. N.D. 6.2E-06 8.0E-06 N.D. 8.6E-06 3.4E-06 N.D. N.D. "Heptadecanoic acid-1 FA(17:0)-2" 3.1E-05 3.1E-05 4.1E-05 3.8E-05 2.3E-05 4.4E-05 4.2E-05 3.3E-05 3.9E-05 4.6E-05 3.4E-05 2.6E-05 1.5E-04 3.3E-05 3.4E-05 4.3E-05 "Heptadecanoic acid-2 FA(17:0)-3" 1.3E-04 1.2E-04 1.4E-04 1.5E-04 1.2E-04 1.3E-04 1.5E-04 1.5E-04 1.1E-04 1.3E-04 1.3E-04 1.3E-04 5.2E-04 1.5E-04 1.2E-04 1.5E-04 Hydroxyprogesterone caproate N.D. N.D. 2.5E-05 3.8E-05 3.8E-05 2.2E-05 N.D. 6.1E-05 4.1E-05 5.8E-05 1.8E-05 2.7E-05 2.5E-05 1.9E-05 4.6E-05 N.D. Hyodeoxycholic acid 1.7E-05 6.4E-06 N.D. 3.1E-05 1.5E-04 3.5E-05 8.1E-06 2.1E-05 1.3E-04 1.5E-04 1.7E-05 2.3E-05 2.4E-05 8.1E-05 9.7E-05 9.9E-05 Indole-3-carboxaldehyde 2.3E-03 5.2E-04 6.9E-04 5.7E-04 7.7E-04 1.0E-03 3.8E-04 2.2E-03 1.7E-03 4.7E-04 N.D. 1.5E-03 4.5E-04 2.4E-03 3.1E-04 N.D. Isoliquiritigenin N.D. N.D. N.D. N.D. 2.9E-05 3.5E-05 N.D. 1.9E-05 1.9E-05 N.D. N.D. N.D. N.D. N.D. 2.7E-05 N.D. Kynurenic acid N.D. 5.4E-05 3.9E-05 5.2E-05 7.2E-05 4.2E-05 N.D. 8.7E-05 6.0E-05 2.0E-05 N.D. 2.9E-05 1.3E-04 4.1E-05 7.1E-05 6.3E-05 Leukotriene B4 1.6E-05 1.2E-05 1.7E-05 1.2E-05 2.7E-05 1.4E-05 1.8E-05 2.6E-05 2.3E-05 1.6E-05 1.3E-05 1.4E-05 1.4E-05 2.9E-05 1.8E-05 2.0E-05 Linoleic acid 3.7E-03 4.6E-03 6.9E-03 4.2E-03 4.0E-03 5.8E-03 5.1E-03 4.0E-03 3.1E-03 2.8E-03 3.1E-03 5.1E-03 4.3E-03 5.2E-03 4.4E-03 5.2E-03 Linolenic acid 1.2E-03 1.9E-03 2.6E-03 1.4E-03 1.5E-03 2.1E-03 2.0E-03 1.7E-03 1.2E-03 1.1E-03 1.0E-03 1.5E-03 1.9E-03 1.9E-03 1.7E-03 2.0E-03 Linoleyl ethanolamide 4.5E-04 4.7E-04 4.6E-04 5.7E-04 5.1E-04 4.4E-04 2.9E-04 6.4E-04 5.2E-04 4.5E-04 4.5E-04 5.7E-04 5.0E-04 6.4E-04 4.1E-04 5.0E-04 Liquiritigenin 1.3E-05 N.D. N.D. N.D. 3.4E-05 N.D. N.D. 2.3E-05 1.5E-05 N.D. N.D. 1.4E-05 N.D. 2.3E-05 N.D. 2.8E-05 Lithocholic acid N.D. N.D. N.D. N.D. 5.6E-05 1.4E-05 N.D. 1.5E-05 5.3E-05 5.4E-05 6.5E-06 8.5E-06 1.4E-05 2.3E-05 2.1E-05 2.0E-05 LPC(24:0) 2.3E-05 1.7E-05 N.D. N.D. 1.8E-05 2.3E-05 2.2E-05 1.8E-05 1.7E-05 1.1E-05 2.5E-05 N.D. 2.5E-05 N.D. 1.3E-05 1.4E-05 Lupulone 1.4E-04 1.1E-04 1.3E-04 1.2E-04 1.4E-04 1.1E-04 1.1E-04 1.2E-04 9.4E-05 8.1E-05 8.8E-05 1.6E-04 1.1E-04 1.2E-04 1.1E-04 1.3E-04 Lutein 4.8E-05 3.4E-05 4.5E-05 3.2E-05 3.0E-05 4.0E-05 3.8E-05 6.3E-05 3.4E-05 4.0E-05 2.8E-05 3.1E-05 5.7E-05 3.6E-05 2.8E-05 2.9E-05 Myristic acid 4.9E-04 7.5E-04 5.1E-04 3.6E-04 3.7E-04 3.9E-04 3.1E-04 4.7E-04 4.4E-04 7.1E-04 2.1E-04 3.0E-04 6.4E-04 4.4E-04 3.0E-04 4.3E-04 N-Acetylsphingosine N.D. 7.3E-05 5.2E-05 N.D. 5.3E-05 N.D. N.D. 4.9E-05 4.7E-05 6.1E-05 4.5E-05 N.D. N.D. N.D. 3.1E-05 4.7E-05 Nervonic acid 3.6E-05 3.1E-05 3.7E-05 5.0E-05 4.6E-05 4.1E-05 5.0E-05 3.4E-05 3.8E-05 5.0E-05 4.1E-05 4.1E-05 3.5E-05 2.8E-05 4.4E-05 5.7E-05 Oleic acid 1.5E-02 1.5E-02 2.3E-02 1.9E-02 1.5E-02 1.8E-02 1.6E-02 1.8E-02 1.4E-02 1.2E-02 9.4E-03 2.2E-02 1.7E-02 2.3E-02 1.7E-02 1.9E-02 "Oleoyl ethanolamide-1 AEA(18:1)-1" 1.1E-03 8.7E-04 8.6E-04 1.3E-03 9.9E-04 7.7E-04 5.9E-04 1.0E-03 1.3E-03 1.2E-03 9.0E-04 1.2E-03 8.9E-04 1.4E-03 8.8E-04 9.8E-04 "Oleoyl ethanolamide-2 AEA(18:1)-2" N.D. N.D. N.D. N.D. N.D. N.D. N.D. 3.1E-05 N.D. N.D. N.D. N.D. N.D. 5.3E-05 N.D. N.D. Palmitic acid 1.2E-02 1.1E-02 1.5E-02 1.3E-02 1.2E-02 1.1E-02 1.3E-02 1.3E-02 1.1E-02 9.4E-03 8.5E-03 1.4E-02 2.0E-02 1.3E-02 1.1E-02 1.3E-02 Palmitoleic acid 1.6E-03 2.1E-03 3.8E-03 2.1E-03 2.0E-03 2.6E-03 2.1E-03 1.6E-03 2.0E-03 1.6E-03 8.6E-04 2.2E-03 2.2E-03 3.3E-03 3.0E-03 3.0E-03 Palmitoylcarnitine 1.1E-03 2.0E-03 1.6E-03 2.8E-03 2.0E-03 2.0E-03 4.6E-04 2.9E-03 3.5E-03 1.8E-03 1.8E-03 2.2E-03 2.3E-03 3.0E-03 3.3E-03 3.1E-03 Palmitoylethanolamide 1.1E-03 8.2E-04 8.4E-04 1.2E-03 1.0E-03 8.4E-04 5.7E-04 1.2E-03 1.2E-03 1.1E-03 9.0E-04 1.2E-03 1.1E-03 1.3E-03 8.9E-04 9.4E-04 Pentadecanoic acid 5.1E-05 4.6E-05 5.9E-05 4.3E-05 4.1E-05 5.5E-05 5.8E-05 5.5E-05 3.1E-05 3.8E-05 4.4E-05 3.1E-05 9.8E-05 5.6E-05 5.2E-05 5.5E-05 Phytosphingosine 2.2E-05 4.0E-05 3.4E-05 1.9E-05 N.D. 4.7E-05 3.8E-05 4.0E-05 2.9E-05 3.8E-05 2.1E-05 1.9E-05 3.7E-05 2.9E-05 3.5E-05 N.D. Progesterone 1.9E-04 2.4E-04 7.0E-05 9.9E-05 8.7E-05 8.2E-05 5.3E-05 1.9E-04 2.8E-04 7.9E-05 1.4E-04 4.8E-04 1.7E-04 9.7E-05 N.D. 9.1E-05 Prostaglandin D2 5.3E-05 4.9E-05 3.7E-05 4.1E-05 4.6E-05 4.1E-05 5.7E-05 6.3E-05 N.D. 6.1E-05 N.D. 5.1E-05 6.3E-05 5.8E-05 N.D. N.D. Quercetin 4.5E-06 7.0E-06 N.D. 6.6E-06 N.D. N.D. 7.2E-06 8.6E-06 N.D. 9.8E-06 5.4E-06 6.0E-06 N.D. 8.6E-06 5.2E-06 N.D. Retinol-1 1.1E-04 6.2E-05 N.D. 1.0E-04 8.5E-05 9.1E-05 8.6E-05 7.6E-05 1.1E-04 9.3E-05 9.4E-05 7.4E-05 8.6E-05 9.7E-05 6.3E-05 1.2E-04 Retinol-2 1.0E-03 1.7E-03 1.8E-03 1.1E-03 1.1E-03 1.3E-03 1.5E-03 1.2E-03 8.5E-04 1.2E-03 9.7E-04 1.1E-03 2.0E-03 1.4E-03 1.6E-03 1.3E-03 Retinol-3 3.6E-05 1.2E-04 1.1E-04 1.0E-04 9.0E-05 1.0E-04 1.4E-04 9.5E-05 4.5E-05 1.3E-04 4.9E-05 1.1E-04 1.1E-04 1.2E-04 1.1E-04 9.3E-05 Riboflavin 1.5E-05 N.D. N.D. 1.2E-05 N.D. N.D. N.D. 2.6E-05 1.9E-05 N.D. 1.8E-05 N.D. 1.5E-05 1.2E-05 1.8E-05 N.D. Ricinoleic acid-1 4.3E-05 2.3E-05 4.1E-05 5.8E-05 8.1E-05 5.2E-05 3.5E-05 4.2E-05 6.7E-05 3.6E-05 1.7E-05 5.1E-05 2.5E-05 8.8E-05 5.2E-05 7.4E-05 Ricinoleic acid-2 1.7E-05 1.6E-05 9.5E-06 2.0E-05 1.6E-05 1.9E-05 1.4E-05 1.8E-05 1.0E-05 3.4E-05 2.0E-05 1.8E-05 6.3E-05 1.2E-05 2.2E-05 2.2E-05 Ricinoleic acid-3 2.1E-04 2.5E-04 2.0E-04 2.6E-04 3.8E-04 2.8E-04 2.7E-04 4.6E-04 2.6E-04 2.6E-04 1.2E-04 2.4E-04 3.6E-04 3.2E-04 3.1E-04 3.6E-04 Sitosterol-1 N.D. N.D. N.D. 4.1E-05 N.D. N.D. N.D. N.D. N.D. 4.0E-05 N.D. N.D. N.D. N.D. N.D. N.D. Sitosterol-2 4.7E-04 5.5E-04 7.7E-04 6.4E-04 4.9E-04 3.9E-04 5.7E-04 3.5E-04 4.1E-04 6.3E-04 5.7E-04 5.0E-04 5.5E-04 3.5E-04 3.4E-04 4.9E-04 Sphinganine 1.2E-04 1.2E-04 1.0E-04 1.4E-04 1.3E-04 1.3E-04 8.7E-05 2.8E-04 1.1E-04 8.9E-05 9.0E-05 1.4E-04 1.4E-04 1.3E-04 1.3E-04 1.2E-04 Sphingomyelin(d18:1/16:0) 7.1E-05 6.5E-05 3.6E-05 1.2E-04 7.1E-05 6.7E-05 5.1E-05 8.7E-05 3.4E-05 5.7E-05 9.3E-05 1.1E-04 4.1E-05 4.2E-05 5.8E-05 7.6E-05 Sphingomyelin(d18:1/18:0) N.D. N.D. N.D. 4.3E-05 3.9E-05 2.5E-05 4.4E-05 N.D. 4.3E-05 N.D. N.D. N.D. N.D. 3.3E-05 N.D. N.D. Sphingosine 1.6E-04 1.0E-04 1.2E-04 1.3E-04 1.2E-04 1.6E-04 N.D. 2.5E-04 1.4E-04 N.D. 1.3E-04 1.5E-04 1.1E-04 2.1E-04 1.7E-04 1.4E-04 Stearic acid 1.4E-03 9.3E-04 1.2E-03 1.5E-03 1.2E-03 1.1E-03 1.5E-03 1.1E-03 1.2E-03 1.1E-03 1.1E-03 1.7E-03 5.0E-03 1.3E-03 1.1E-03 1.2E-03 Stearidonic acid 3.7E-05 6.2E-05 7.5E-05 3.1E-05 6.0E-05 6.1E-05 6.4E-05 4.4E-05 3.0E-05 3.4E-05 2.6E-05 4.3E-05 7.4E-05 4.9E-05 5.4E-05 5.5E-05 Stearoyl ethanolamide 5.5E-04 4.9E-04 4.2E-04 6.2E-04 4.9E-04 3.6E-04 3.6E-04 6.1E-04 6.1E-04 5.5E-04 6.6E-04 6.1E-04 5.7E-04 6.2E-04 4.1E-04 4.6E-04 Stigmasterol 2.2E-04 2.7E-04 2.8E-04 3.3E-04 2.5E-04 2.3E-04 1.8E-04 2.2E-04 2.4E-04 2.9E-04 2.7E-04 2.4E-04 2.7E-04 2.4E-04 2.3E-04 2.2E-04 Taurochenodeoxycholic acid 1.4E-04 2.9E-05 2.6E-05 7.2E-05 3.5E-03 9.1E-04 5.8E-05 1.1E-04 4.5E-03 3.9E-03 7.5E-05 1.3E-04 8.9E-05 2.5E-03 2.1E-03 1.8E-03 Taurocholic acid 4.4E-04 9.4E-05 5.0E-05 2.9E-04 1.1E-02 3.8E-03 1.2E-04 3.4E-04 1.6E-02 1.0E-02 1.3E-04 4.0E-04 2.8E-04 1.5E-02 1.1E-02 1.0E-02 Taurodeoxycholic acid 3.5E-04 6.7E-05 8.8E-05 2.3E-04 2.8E-03 4.7E-04 7.8E-05 2.1E-04 2.8E-03 2.2E-03 7.2E-05 1.5E-04 1.9E-04 3.4E-03 1.1E-03 1.3E-03 Taurolithocholic acid N.D. N.D. N.D. N.D. 1.0E-04 8.8E-06 N.D. N.D. 4.3E-05 1.0E-04 5.1E-06 N.D. N.D. 2.6E-05 1.9E-05 1.9E-05 Tauroursodeoxycholic acid 2.0E-04 3.7E-05 4.0E-05 1.8E-04 3.1E-03 6.3E-04 4.4E-05 2.0E-04 4.5E-03 2.7E-03 4.3E-05 2.3E-04 1.3E-04 3.6E-03 1.4E-03 1.3E-03 Testosterone N.D. 5.1E-04 8.3E-05 N.D. 3.9E-05 4.4E-05 4.8E-05 N.D. N.D. 3.4E-04 3.1E-05 N.D. 3.2E-05 1.5E-05 3.4E-05 3.0E-05 Testosterone acetate 4.2E-05 3.3E-05 2.2E-05 N.D. N.D. 2.9E-05 N.D. N.D. N.D. N.D. 3.7E-05 3.2E-05 3.2E-05 N.D. N.D. N.D. Thyroxine N.D. 4.9E-05 2.5E-05 6.3E-05 3.0E-05 2.4E-05 N.D. 5.6E-05 4.6E-05 2.4E-05 N.D. 3.1E-05 4.3E-05 3.8E-05 3.5E-05 5.5E-05 Trilaurin N.D. N.D. 8.9E-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. N.D. Ursodeoxycholic acid 2.4E-05 6.6E-06 N.D. 4.5E-05 3.9E-04 1.9E-05 1.3E-05 6.2E-05 7.3E-05 6.4E-04 1.2E-05 5.0E-05 5.5E-05 6.8E-05 2.1E-04 1.5E-04 Zeaxanthin 1.7E-04 2.1E-04 6.7E-05 1.6E-04 8.2E-05 8.1E-05 1.0E-04 1.7E-04 1.3E-04 1.7E-04 1.2E-04 1.3E-04 1.6E-04 1.2E-04 1.0E-04 1.5E-04 α-Tocopherol 8.2E-03 7.3E-03 7.2E-03 1.0E-02 6.9E-03 4.8E-03 8.0E-03 6.9E-03 8.6E-03 1.1E-02 9.4E-03 1.0E-02 6.4E-03 6.6E-03 7.4E-03 9.8E-03 α-Tocopherol acetate 5.2E-05 N.D. N.D. 4.3E-05 4.8E-05 4.9E-05 3.2E-05 5.9E-05 N.D. 4.6E-05 6.6E-05 4.6E-05 3.0E-05 2.7E-05 3.6E-05 N.D. β-Cryptoxanthin-1 1.4E-05 1.3E-05 1.3E-05 1.5E-05 N.D. 2.0E-05 3.0E-05 N.D. N.D. 1.0E-05 1.5E-05 1.1E-05 8.7E-06 N.D. N.D. 1.5E-05 β-Cryptoxanthin-2 N.D. N.D. N.D. N.D. N.D. N.D. N.D. 2.6E-04 N.D. N.D. N.D. 2.5E-04 N.D. N.D. N.D. N.D. "β-Estradiol 17α-Estradiol" 1.5E-04 2.0E-04 6.6E-05 9.1E-05 5.9E-05 7.8E-05 9.2E-05 8.5E-05 1.1E-04 2.1E-04 8.3E-05 5.6E-05 3.8E-05 5.6E-05 5.2E-05 7.4E-05 γ-Tocopherol 1.0E-04 7.8E-05 6.1E-05 1.1E-04 1.6E-04 1.2E-04 1.4E-04 1.1E-04 8.4E-05 1.3E-04 5.3E-05 9.9E-05 1.6E-04 1.1E-04 1.6E-04 1.5E-04 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name PubChem CID HMDB ID m/z MT/RT 1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-1 692.52 16.83 1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-2 692.53 16.93 1,2-Distearoyl-glycero-3-phosphocholine 790.651 17.27 1-Myristoyl-glycero-3-phosphocholine 460604 HMDB0010379 468.31 12.71 15(S)-HETE 5280724 HMDB0003876 319.226 12.83 "17α-Hydroxyprogesterone-1 Deoxycorticosterone-1" "6238 6166" "HMDB0000374 HMDB0000016" 331.226 10.22 "17α-Hydroxyprogesterone-2 Deoxycorticosterone-2 5β-pregnane-3α,21-diol-11,20-dione" "6238 6166 440698" "HMDB0000374 HMDB0000016 HMDB0006755" 331.228 10.03 17α-Hydroxyprogesterone-3 6238 HMDB0000374 331.229 10.31 2-Arachidonoylglycerol-1 5282280 HMDB0004666 379.284 13.59 2-Arachidonoylglycerol-2 5282280 HMDB0004666 379.285 13.71 2-Hydroxytetradecanoic acid-1 1563 HMDB0002261 243.197 13.22 "2-Hydroxytetradecanoic acid-2 3-Hydroxytetradecanoic acid-2" "1563 16064" "HMDB0002261 HMDB0061656" 243.197 13.07 20α-Hydroxycholesterol 121935 HMDB0006283 367.333 13.98 20α-Hydroxyprogesterone 8956 HMDB0003069 317.249 11 21-Deoxycortisol-2 92827 HMDB0004030 347.222 8.84 22-Hydroxycholesterol 167685 HMDB0004035 385.336 13.69 3-Hydroxytetradecanoic acid-1 16064 HMDB0061656 243.197 12.84 4-Androstene-3,17-dione 6128 HMDB0000053 287.199 10.05 5-Methoxyindoleacetic acid 18986 HMDB0004096 206.081 7.29 5α-Cholestan-3-one-1 92128 HMDB0000871 387.36 16.42 5α-Cholestan-3-one-2 92128 HMDB0000871 387.369 16.26 5α-Pregnan-3α-ol-20-one 92786 HMDB0001449 301.25 12.14 "5α-Pregnane-3,20-dione Pregnenolone" "92810 8955" "HMDB0003759 HMDB0000253" 317.254 11.59 "7-Dehydrocholesterol-1 Desmosterol-1" "439423 439577" "HMDB0000032 HMDB0002719" 367.334 15.7 "7-Dehydrocholesterol-2 Desmosterol-2" "439423 439577" "HMDB0000032 HMDB0002719" 367.335 16.01 "7-Dehydrocholesterol-3 Desmosterol-3" "439423 439577" "HMDB0000032 HMDB0002719" 367.336 15.85 Abietic acid-1 10569 303.233 14.02 Abietic acid-2 10569 303.234 13.91 AC(10:0) 10245190 HMDB0000651 316.248 9.12 AC(12:0)-1 344.278 9.88 AC(12:0)-2 344.28 10.12 AC(12:1) 342.262 9.6 AC(13:1) 356.28 10.05 AC(14:0)-1 372.313 10.94 AC(14:0)-2 372.313 10.86 AC(14:1)-1 370.293 10.5 AC(14:1)-2 370.293 10.42 AC(14:1)-3 370.294 10.27 AC(14:2) 368.28 10.02 AC(14:3) 366.258 9.52 AC(15:0) 386.323 11.33 AC(16:1)-1 398.327 11.29 AC(16:1)-2 398.328 11.17 AC(16:2)-1 396.311 10.48 AC(16:2)-2 396.313 10.73 AC(17:0)-1 414.354 12.24 AC(17:0)-2 414.357 12.07 AC(17:0)-3 414.358 11.79 AC(17:1) 412.34 11.52 AC(18:0) 428.375 12.43 AC(18:1)-1 426.354 12.16 AC(18:1)-2 426.36 11.88 AC(18:2)-1 424.342 11.72 AC(18:2)-2 424.344 11.42 AC(20:0) 456.403 13.12 AC(20:1) 454.387 12.53 AC(22:0) 484.434 13.8 AEA(18:3) 322.268 13.09 AEA(20:3) 350.294 14.04 AEA(20:5) 346.263 12.85 AEA(22:4)-1 376.319 14.02 AEA(22:4)-2 376.322 14.09 AEA(22:6) 372.291 13.5 Anandamide 5281969 HMDB0004080 348.288 13.56 Androstanediol 441301 HMDB0000495 310.269 11.03 Androsterone 5879 HMDB0000031 273.226 10.94 Arachidic acid 10467 HMDB0002212 311.295 15.92 Arachidonic acid 444899 HMDB0001043 303.235 14.32 Asiatic acid-1 119034 487.337 11.51 Asiatic acid-2 119034 487.343 11.44 Astaxanthin 5281224 HMDB0002204 597.402 14.25 Baicalein 5281605 HMDB0134890 269.046 9.59 Behenic acid 8215 HMDB0000944 339.329 16.38 Biotin 171548 HMDB0000030 245.094 5.82 Caffeic acid 689043 HMDB0001964 135.045 5.91 Campesterol 173183 HMDB0002869 383.366 16.41 Chenodeoxycholic acid 10133 HMDB0000518 391.284 12.01 Cholesterol 5997 HMDB0000067 369.351 16.26 Cholesterol sulfate 65076 HMDB0000653 465.304 16.97 Cholic acid 221493 HMDB0000619 407.28 11.12 cis-11,14-Eicosadienoic acid-1 6439848 HMDB0005060 307.259 14.76 cis-11,14-Eicosadienoic acid-2 6439848 HMDB0005060 307.266 14.99 cis-11,14-Eicosadienoic acid-3 6439848 HMDB0005060 307.267 15.09 cis-11-Eicosenoic acid 5282768 HMDB0002231 309.283 15.42 cis-4,7,10,13,16,19-Docosahexaenoic acid-1 HMDB0002183 328.236 14.22 cis-4,7,10,13,16,19-Docosahexaenoic acid-2 445580 HMDB0002183 327.232 14.38 cis-5,8,11,14,17-Eicosapentaenoic acid 446284 HMDB0001999 301.219 13.91 cis-8,11,14-Eicosatrienoic acid 5280581 HMDB0002925 305.251 14.6 Corosolic acid 6918774 455.345 13.16 "Cortexolone Corticosterone 21-Deoxycortisol-1" "440707 5753 92827" "HMDB0000015 HMDB0001547 HMDB0004030" 347.222 9.25 "Cortisol-1 18-Hydroxycorticosterone Humulone-1" "5754 11222 442911" "HMDB0000063 HMDB0000319 HMDB0034090" 363.215 8.32 "Cortisol-2 Humulone-2" "5754 442911" "HMDB0000063 HMDB0034090" 363.216 8.7 "Cycloartenol Lanosterol" "92110 246983" "HMDB0036591 HMDB0001251" 409.384 16.38 Daidzein 5281708 HMDB0003312 253.051 8.37 Deoxycholic acid 222528 HMDB0000626 391.286 12.17 Dethiobiotin 643 HMDB0003581 215.138 6.63 Diosgenin 99474 415.319 14.19 Ergocalciferol-1 5280793 HMDB0000900 397.349 16.01 Ergocalciferol-2 5280793 HMDB0000900 397.35 15.7 Erucic acid 5281116 HMDB0002068 337.314 15.92 Ethyl arachidonate-1 5367369 HMDB0062725 333.28 15.43 Ethyl arachidonate-2 5367369 HMDB0062725 333.283 15.2 Ethynyl estradiol 5991 HMDB0001926 297.182 10.21 Etiocholan-3α-ol-17-one glucuronide 443078 HMDB0004484 465.24 10.56 FA(12:0) 3893 HMDB0000638 199.171 13.19 FA(14:1)-1 225.186 13.56 FA(14:1)-2 225.186 13.42 FA(14:2)-1 223.168 12.83 FA(14:2)-2 223.171 13.03 FA(14:3) 221.154 12.53 FA(15:0) 13849 HMDB0000826 241.217 14.29 FA(15:1) 239.202 13.81 FA(16:2)-1 251.202 13.73 FA(16:2)-2 251.203 13.97 FA(16:3)-1 249.186 13.45 FA(16:3)-2 249.189 13.25 FA(17:0)-1 10465 HMDB0002259 269.248 14.75 FA(17:1) 267.233 14.53 FA(17:2) 265.216 14.05 FA(17:3) 263.203 13.53 FA(19:0)-1 12591 HMDB0000772 297.276 15.57 FA(19:0)-2 12591 HMDB0000772 297.279 15.66 FA(19:1) 295.265 15.15 FA(19:2) 293.247 14.73 FA(20:3) 305.251 14.76 FA(22:2) 335.298 15.53 FA(22:3)-1 333.282 15.15 FA(22:3)-2 333.283 15.21 FA(22:4)-1 331.256 14.61 FA(22:4)-2 331.266 14.81 FA(22:5)-1 329.249 14.43 FA(22:5)-2 329.249 14.61 FA(24:0) 11197 HMDB0002003 367.358 16.81 FA(24:4) 359.296 15.3 FA(24:5) 357.282 14.96 FA(25:3) 375.327 15.82 Flavanone 10251 225.091 10.82 Genistein 5280961 HMDB0003217 269.046 9.05 Glycitein 5317750 HMDB0005781 285.075 8.33 Glycochenodeoxycholic acid 12544 HMDB0000637 448.311 11.28 Glycocholic acid 10140 HMDB0000138 464.303 10.46 Glycodeoxycholic acid 3035026 HMDB0000631 448.303 11.57 Glycolithocholic acid 115245 HMDB0000698 432.316 12.2 Glycoursodeoxycholic acid 12310288 HMDB0000708 448.308 10.32 Hecogenin-1 91453 HMDB0038824 431.316 12.49 Hecogenin-2 91453 HMDB0038824 431.317 12.32 "Heneicosanoic acid 19-Methylarachidic acid" "16898 3632876" "HMDB0002345 " 325.311 16.16 "Heptadecanoic acid-1 FA(17:0)-2" "10465 10465" "HMDB0002259 HMDB0002259" 269.248 14.98 "Heptadecanoic acid-2 FA(17:0)-3" "10465 10465" "HMDB0002259 HMDB0002259" 269.249 15.08 Hydroxyprogesterone caproate 169870 429.298 12.1 Hyodeoxycholic acid 5283820 HMDB0000733 391.285 11.26 Indole-3-carboxaldehyde 10256 HMDB0029737 146.061 7.02 Isoliquiritigenin 638278 HMDB0037316 257.081 9.35 Kynurenic acid 3845 HMDB0000715 190.051 5.95 Leukotriene B4 5280492 HMDB0001085 335.221 11.41 Linoleic acid 5280450 HMDB0000673 280.237 14.38 Linolenic acid 5280934 HMDB0001388 277.218 13.96 Linoleyl ethanolamide 5283446 HMDB0012252 324.29 13.56 Liquiritigenin 114829 HMDB0029519 257.081 8.09 Lithocholic acid 9903 HMDB0000761 375.291 12.98 LPC(24:0) 24779481 HMDB0010405 608.455 15.99 Lupulone 68051 HMDB0030041 413.264 14.39 Lutein 5281243 HMDB0003233 551.438 14.76 Myristic acid 11005 HMDB0000806 227.202 14.03 N-Acetylsphingosine 5497136 342.294 13.57 Nervonic acid 5281120 HMDB0002368 365.342 16.35 Oleic acid 445639 HMDB0000207 281.248 14.85 "Oleoyl ethanolamide-1 AEA(18:1)-1" "5283454 0" "HMDB0002088 " 326.304 14.04 "Oleoyl ethanolamide-2 AEA(18:1)-2" "5283454 0" "HMDB0002088 " 326.305 14.33 Palmitic acid 985 HMDB0000220 255.233 14.75 Palmitoleic acid 445638 HMDB0003229 253.218 14.18 Palmitoylcarnitine 11953816 HMDB0000222 400.344 11.71 Palmitoylethanolamide 4671 HMDB0002100 300.288 13.89 Pentadecanoic acid 13849 HMDB0000826 241.218 14.41 Phytosphingosine 122121 HMDB0004610 318.298 11.08 Progesterone 5994 HMDB0001830 315.23 11.15 Prostaglandin D2 448457 HMDB0001403 370.257 10.36 Quercetin 5280343 HMDB0005794 301.037 8.93 Retinol-1 445354 HMDB0000305 269.226 13.76 Retinol-2 445354 HMDB0000305 269.227 14.03 Retinol-3 445354 HMDB0000305 269.227 13.92 Riboflavin 493570 HMDB0000244 377.145 6.08 Ricinoleic acid-1 643684 HMDB0034297 297.242 12.61 Ricinoleic acid-2 643684 HMDB0034297 297.242 12.96 Ricinoleic acid-3 643684 HMDB0034297 297.243 12.7 Sitosterol-1 222284 HMDB0000852 397.383 16.72 Sitosterol-2 222284 HMDB0000852 397.385 16.56 Sphinganine 91486 HMDB0000269 302.309 11.36 Sphingomyelin(d18:1/16:0) 9939941 HMDB0010169 703.58 16.31 Sphingomyelin(d18:1/18:0) 6453725 HMDB0001348 731.598 16.41 Sphingosine 5280335 HMDB0000252 300.288 11.18 Stearic acid 5281 HMDB0000827 284.268 15.38 Stearidonic acid 5312508 HMDB0006547 275.2 13.58 Stearoyl ethanolamide 27902 HMDB0013078 328.321 14.61 Stigmasterol 5280794 HMDB0000937 395.368 16.26 Taurochenodeoxycholic acid 387316 HMDB0000951 498.287 12.68 Taurocholic acid 6675 HMDB0000036 515.29 11.82 Taurodeoxycholic acid 2733768 HMDB0000896 498.288 12.99 Taurolithocholic acid 439763 HMDB0000722 482.295 13.66 Tauroursodeoxycholic acid 9848818 HMDB0000874 498.287 11.63 Testosterone 6013 HMDB0000234 289.213 10.17 Testosterone acetate 92145 HMDB0062780 331.23 11.54 Thyroxine 5819 HMDB0000248 777.681 9.82 Trilaurin 10851 HMDB0011188 656.587 17.81 Ursodeoxycholic acid 31401 HMDB0000946 391.284 11.11 Zeaxanthin 5280899 HMDB0002789 569.425 15.07 α-Tocopherol 14985 HMDB0001893 431.388 16.41 α-Tocopherol acetate 86472 HMDB0034227 490.425 16.68 β-Cryptoxanthin-1 5281235 HMDB0033844 553.433 16.98 β-Cryptoxanthin-2 5281235 HMDB0033844 553.436 16.74 "β-Estradiol 17α-Estradiol" "5757 68570" "HMDB0000151 HMDB0000429" 273.189 10.06 γ-Tocopherol 92729 HMDB0001492 417.369 16.22 METABOLITES_END #END