#METABOLOMICS WORKBENCH eros87_20240422_025920 DATATRACK_ID:4789 STUDY_ID:ST003213 ANALYSIS_ID:AN005269 PROJECT_ID:PR002004 VERSION 1 CREATED_ON May 21, 2024, 10:50 am #PROJECT PR:PROJECT_TITLE The central role of creatine and polyamines in fetal growth restriction PR:PROJECT_SUMMARY Placental insufficiency is often associated with fetal growth restriction (FGR), PR:PROJECT_SUMMARY a condition associated with both short- and long-term complications for PR:PROJECT_SUMMARY newborns. In this study, we performed a comprehensive transcriptomic and PR:PROJECT_SUMMARY metabolomic characterization of the placenta of newborns born small for PR:PROJECT_SUMMARY gestational age (SGA) and appropriate for gestational age (AGA). Transcriptome PR:PROJECT_SUMMARY and metabolome data obtained from villous tissue biopsies and verified in 3D PR:PROJECT_SUMMARY trophoblast organoids revealed that the defective placentas associated with FGR PR:PROJECT_SUMMARY are characterized by metabolic reprogramming consisting of adaptation to hypoxia PR:PROJECT_SUMMARY and alteration of arginine metabolism, particularly at the level of synthesis of PR:PROJECT_SUMMARY polyamines and creatine phosphate. Arginine was utilized in defective SGA PR:PROJECT_SUMMARY placentas to synthesize phosphocreatine, an energy-rich compound that is PR:PROJECT_SUMMARY critical for ATP production and represents a positive metabolic adaptation that PR:PROJECT_SUMMARY supports trophoblast fitness. In addition, SGA placentas were characterized by a PR:PROJECT_SUMMARY deficit in polyamines due to overexpression of SAT1. SAT1 catalyzes the PR:PROJECT_SUMMARY acetylation of spermine and spermidine and promotes their excretion from the PR:PROJECT_SUMMARY trophoblast, resulting in a deficit of polyamines that cannot be compensated by PR:PROJECT_SUMMARY arginine or polyamine supplementation unless SAT1 expression is disrupted. In PR:PROJECT_SUMMARY conclusion, our study improves the understanding of metabolic adaptations PR:PROJECT_SUMMARY associated with placental dysfunction and provides valuable insights for future PR:PROJECT_SUMMARY therapeutic interventions. PR:INSTITUTE University of Udine PR:DEPARTMENT Medicine PR:LABORATORY Biochemistry PR:LAST_NAME Di Giorgio PR:FIRST_NAME Eros PR:ADDRESS piazzale Kolbe 4, Udine, Italy, 33100, Italy PR:EMAIL eros.digiorgio@uniud.it PR:PHONE +39/0432494338 PR:FUNDING_SOURCE PRIN PNRR #STUDY ST:STUDY_TITLE The central role of creatine and polyamines in fetal growth restriction ST:STUDY_SUMMARY Placental insufficiency is often associated with fetal growth restriction (FGR), ST:STUDY_SUMMARY a condition associated with both short- and long-term complications for ST:STUDY_SUMMARY newborns. In this study, we performed a comprehensive transcriptomic and ST:STUDY_SUMMARY metabolomic characterization of the placenta of newborns born small for ST:STUDY_SUMMARY gestational age (SGA) and appropriate for gestational age (AGA). Transcriptome ST:STUDY_SUMMARY and metabolome data obtained from villous tissue biopsies and verified in 3D ST:STUDY_SUMMARY trophoblast organoids revealed that the defective placentas associated with FGR ST:STUDY_SUMMARY are characterized by metabolic reprogramming consisting of adaptation to hypoxia ST:STUDY_SUMMARY and alteration of arginine metabolism, particularly at the level of synthesis of ST:STUDY_SUMMARY polyamines and creatine phosphate. Arginine was utilized in defective SGA ST:STUDY_SUMMARY placentas to synthesize phosphocreatine, an energy-rich compound that is ST:STUDY_SUMMARY critical for ATP production and represents a positive metabolic adaptation that ST:STUDY_SUMMARY supports trophoblast fitness. In addition, SGA placentas were characterized by a ST:STUDY_SUMMARY deficit in polyamines due to overexpression of SAT1. SAT1 catalyzes the ST:STUDY_SUMMARY acetylation of spermine and spermidine and promotes their excretion from the ST:STUDY_SUMMARY trophoblast, resulting in a deficit of polyamines that cannot be compensated by ST:STUDY_SUMMARY arginine or polyamine supplementation unless SAT1 expression is disrupted. In ST:STUDY_SUMMARY conclusion, our study improves the understanding of metabolic adaptations ST:STUDY_SUMMARY associated with placental dysfunction and provides valuable insights for future ST:STUDY_SUMMARY therapeutic interventions ST:INSTITUTE University of Udine ST:LAST_NAME Di Giorgio ST:FIRST_NAME Eros ST:ADDRESS piazzale Kolbe 4, Udine, Italy, 33100, Italy ST:EMAIL eros.digiorgio@uniud.it ST:PHONE 0432494338 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 6 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - AGA1 Factor:AGA | Sample source:Placenta RAW_FILE_NAME(Raw file name)=AGA1.mzML SUBJECT_SAMPLE_FACTORS - AGA2 Factor:AGA | Sample source:Placenta RAW_FILE_NAME(Raw file name)=AGA2.mzML SUBJECT_SAMPLE_FACTORS - AGA3 Factor:AGA | Sample source:Placenta RAW_FILE_NAME(Raw file name)=AGA3.mzML SUBJECT_SAMPLE_FACTORS - SGA1 Factor:SGA | Sample source:Placenta RAW_FILE_NAME(Raw file name)=SGA1.mzML SUBJECT_SAMPLE_FACTORS - SGA2 Factor:SGA | Sample source:Placenta RAW_FILE_NAME(Raw file name)=SGA2.mzML SUBJECT_SAMPLE_FACTORS - SGA3 Factor:SGA | Sample source:Placenta RAW_FILE_NAME(Raw file name)=SGA3.mzML #COLLECTION CO:COLLECTION_SUMMARY The study involved women recruited from the Clinic of Obstetrics and Gynaecology CO:COLLECTION_SUMMARY at the University Hospital of Udine between May 2021 and August 2022. Fetal CO:COLLECTION_SUMMARY growth was monitored through sequential ultrasound examinations, including CO:COLLECTION_SUMMARY first-trimester screenings for chromosomal abnormalities and major defects, CO:COLLECTION_SUMMARY followed by second-trimester screenings for anatomical abnormalities, and two CO:COLLECTION_SUMMARY growth assessments at 29 weeks of gestation, with a minimum two-week interval CO:COLLECTION_SUMMARY between them. Post-delivery, placentas underwent both macroscopic and CO:COLLECTION_SUMMARY microscopic examinations to ensure suitability for the study. Inclusion criteria CO:COLLECTION_SUMMARY required participants to be at least 18 years old, have a singleton pregnancy CO:COLLECTION_SUMMARY with a live fetus at the time of ultrasound and delivery, while exclusion CO:COLLECTION_SUMMARY criteria comprised prenatally detected fetal anomalies, maternal endocrine CO:COLLECTION_SUMMARY disorders (e.g., pre-existing diabetes, hypothyroidism, hyperthyroidism), CO:COLLECTION_SUMMARY maternal hypertension, pregnancy-related diseases not attributed to isolated CO:COLLECTION_SUMMARY fetal growth disorders (e.g., gestational diabetes, cholestasis), multiple CO:COLLECTION_SUMMARY pregnancies, and severe maternal psychiatric disorders. Recruitment and data CO:COLLECTION_SUMMARY collection began following informed consent from the participants. Placentas CO:COLLECTION_SUMMARY from newborns with appropriate weight for gestational age were defined AGA; CO:COLLECTION_SUMMARY placentas from newborns with a birth weight below the 3rd percentile for CO:COLLECTION_SUMMARY gestational age were defined SGA. Biopsy samples approximately 1 cm3 in size CO:COLLECTION_SUMMARY were obtained from the maternal side of the placenta. Villous tissue was CO:COLLECTION_SUMMARY isolated, subjected to thorough washing of maternal blood with saline solution CO:COLLECTION_SUMMARY and promptly frozen at -80 °C until further use. Samples stored at -80 °C were CO:COLLECTION_SUMMARY thawed on ice and homogenized in a ball-mill grinder at 30 Hz for 20s. 400 μL CO:COLLECTION_SUMMARY solution (Methanol : Water = 7:3, V/V) containing internal standard was mixed CO:COLLECTION_SUMMARY with 20 mg of ground sample and mixed in a shaker at 2500 rpm for 5 min. The CO:COLLECTION_SUMMARY mixture was placed on ice for 15 min and centrifuged at 12000 rpm for 10 min (4 CO:COLLECTION_SUMMARY °C). CO:SAMPLE_TYPE Placenta CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY No treatment #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 300 μL of the supernatant was collected and placed in -20 °C for 30 min. The SP:SAMPLEPREP_SUMMARY sample was then centrifuged at 12000 rpm for 3 min (4 °C). A 200 μL aliquot of SP:SAMPLEPREP_SUMMARY the supernatant was subjected to LC/MS analysis by using Ultra Performance SP:SAMPLEPREP_SUMMARY Liquid Chromatography (UPLC) (ExionLC 2.0, https://sciex.com/) and SP:SAMPLEPREP_SUMMARY Quadrupole-Time of Flight Spectrometry (TripleTOF 6600+, AB SCIEX). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY LC/MS run was performed at Metware Biotechnology (Woburn, MA USA). Analyst 1.6.3 CH:CHROMATOGRAPHY_SUMMARY was used to process mass spectrum data. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME ExionLC 2.0 CH:COLUMN_NAME Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um) CH:SOLVENT_A 100% ultrapure water; 0.1% formic acid CH:SOLVENT_B 100% acetonitrile; 0.1% formic acid CH:FLOW_GRADIENT A:B 95:5 V/V at 0 min, 10:90 V/V at 10.0 min, 10:90 V/V at 11.0 min, 95:5 V/V at CH:FLOW_GRADIENT 11.1 min, 95:5 V/V at 14.0 min CH:FLOW_RATE 0.4 ml/min CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 6500 QTrap MS:INSTRUMENT_TYPE QTRAP MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS LIT and triple quadrupole (QQQ) scans were acquired on a triple MS:MS_COMMENTS quadrupole-linear ion trap mass spectrometer (QTRAP), QTRAP LC-MS/MS System, MS:MS_COMMENTS equipped with an ESI Turbo Ion-Spray interface, operating in positive and MS:MS_COMMENTS negative ion mode and controlled by Analyst 1.6.3 software (Sciex). The ESI MS:MS_COMMENTS source operation parameters were as follows: source temperature 500°C; ion MS:MS_COMMENTS spray voltage (IS) 5500 V (positive), -4500 V (negative); ion source gas I MS:MS_COMMENTS (GSI), gas II (GSII), curtain gas (CUR) were set at 50, 50, and 25.0 psi, MS:MS_COMMENTS respectively; the collision gas (CAD) was high. Instrument tuning and mass MS:MS_COMMENTS calibration were performed with 10 and 100 μmol/L polypropylene glycol MS:MS_COMMENTS solutions in QQQ and LIT modes, respectively. A specific set of MRM transitions MS:MS_COMMENTS were monitored for each period according to the metabolites eluted within this MS:MS_COMMENTS period.The mixed samples first underwent untargeted metabolomics detection. MS:MS_COMMENTS Metabolites were analyzed qualitatively with in-house database MWDB, integrated MS:MS_COMMENTS public database (including Metlin, HMDB, and KEGG), AI database, and MetDNA. The MS:MS_COMMENTS identified metabolites were integrated with the in-house database MWDB. Lastly, MS:MS_COMMENTS quantification using MRM mode was performed for all samples based on the newly MS:MS_COMMENTS integrated database. Metabolites were quantified by triple quadrupole mass MS:MS_COMMENTS spectrometry with multiple reaction monitoring (MRM). In MRM mode, the first MS:MS_COMMENTS quadrupole screens the precursor ions for the target compound and excludes ions MS:MS_COMMENTS of other molecular weights. After ionization induced by the impact chamber, the MS:MS_COMMENTS precursor ion is fragmented, and a characteristic fragment ion is selected MS:MS_COMMENTS through the third quadrupole and excludes the interference of other untargeted MS:MS_COMMENTS ions. By selecting a particular fragment ion, quantification is more accurate MS:MS_COMMENTS and reproducible.Based on the raw data file ALL_sample_data_raw.xlsx, the MS:MS_COMMENTS missing values were first filled in using 1/5 of the minimum value of each row MS:MS_COMMENTS (metabolite), and then the CV value of the QC sample was calculated, and the MS:MS_COMMENTS metabolites with a CV value less than 0.3 were retained to obtain the final data MS:MS_COMMENTS file #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Coefficient of variation (CV) value MS_METABOLITE_DATA_START Samples AGA1 AGA2 AGA3 SGA1 SGA2 SGA3 Factors Factor:AGA | Sample source:Placenta Factor:AGA | Sample source:Placenta Factor:AGA | Sample source:Placenta Factor:SGA | Sample source:Placenta Factor:SGA | Sample source:Placenta Factor:SGA | Sample source:Placenta Fludarabine phosphate 1.11E+05 7.36E+04 1.26E+05 7.28E+04 5.74E+04 1.07E+05 Diacerein 3.28E+04 3.84E+04 4.68E+04 2.77E+04 3.15E+04 3.72E+04 Alibendol 2.68E+05 1.76E+05 2.43E+05 2.45E+05 2.84E+05 2.22E+05 Besifovir 1.16E+07 1.00E+07 2.24E+07 1.21E+07 1.43E+07 1.86E+07 D-phenylalanine 2.12E+07 2.15E+07 2.26E+07 2.35E+07 2.00E+07 2.37E+07 Isosalipurposide 6.89E+04 1.76E+04 4.24E+04 8.45E+04 9.32E+04 1.42E+05 Multinoside A 4.51E+04 3.82E+04 4.20E+04 4.36E+04 2.75E+04 3.52E+04 N-ethylene glycol neuraminic acid 1.55E+07 1.55E+07 1.43E+07 1.31E+07 1.35E+07 1.59E+07 Confertifoline 2.11E+05 2.30E+05 2.37E+05 2.01E+05 1.92E+05 2.14E+05 LPE(0:0/20:4) 2.16E+07 1.83E+07 3.12E+07 1.66E+07 1.08E+07 2.32E+07 (E,Z)-2-Amino-3,14-octadecadien-1-ol 4.68E+06 6.04E+06 5.05E+06 4.44E+06 5.29E+06 4.50E+06 Nordihydrocapsiate 1.70E+07 2.15E+07 1.60E+07 1.52E+07 1.18E+07 1.40E+07 1-(4-Hydroxy-3-methoxyphenyl)-3-decanone 1.00E+05 1.10E+05 1.09E+05 1.14E+05 9.08E+04 9.81E+04 Methyl dioxindole-3-acetate 4.15E+05 3.12E+05 3.43E+05 3.38E+05 3.30E+05 3.48E+05 Prunasin 1.40E+04 6.23E+03 8.82E+03 7.36E+03 1.06E+04 8.11E+03 Threonic acid 1.84E+07 9.39E+06 8.28E+06 1.56E+07 8.84E+06 6.58E+06 3,3',4'5-Tetrahydroxystilbene 8.80E+04 1.00E+05 1.46E+05 1.06E+05 1.00E+05 9.28E+04 20-Hydroxyecdysone 4.76E+05 4.76E+05 5.36E+05 4.84E+05 4.67E+05 5.07E+05 Ginkgolide B 1.54E+06 1.06E+06 1.22E+06 1.89E+06 7.35E+05 1.52E+06 Ephedrine 6.57E+05 7.12E+05 2.52E+05 Xanthoxylin 2.14E+04 1.74E+04 1.27E+04 2.16E+04 3.00E+04 3.14E+04 Glyceraldehyde 1.22E+05 1.19E+05 1.04E+05 1.01E+05 1.03E+05 1.32E+05 Palmitoylethanolamide 2.89E+05 2.14E+05 3.58E+05 1.46E+05 1.34E+05 1.45E+05 L-Arginine 3.68E+06 3.43E+06 3.61E+06 3.61E+06 2.63E+06 3.92E+06 gamma-Glu-Ala 1.19E+06 1.03E+06 1.11E+06 9.92E+05 9.59E+05 1.09E+06 Allantoin 7.60E+05 7.80E+05 7.24E+05 7.59E+05 7.79E+05 6.91E+05 Glutathione Reducedform 1.26E+07 1.19E+07 1.12E+07 1.32E+07 1.24E+07 1.54E+07 Hexanoyl Glycine 4.46E+03 6.09E+03 7.64E+03 1.38E+04 4.86E+03 4.48E+03 N-Acetyl-L-Leucine 2.73E+04 1.70E+04 2.20E+04 2.27E+04 3.64E+04 4.13E+04 N-Propionylglycine 2.27E+05 2.65E+05 2.79E+05 2.54E+05 2.12E+05 3.44E+05 O-Phospho-L-Serine 9.05E+04 7.78E+04 6.02E+04 8.92E+04 8.28E+04 7.57E+04 Phenylacetyl-L-Glutamine 8.88E+05 8.52E+05 3.27E+05 1.42E+06 8.22E+05 1.77E+06 Terephthalic Acid 2.09E+05 1.94E+05 1.28E+05 2.20E+05 1.67E+05 3.09E+05 Taurocholic acid 4.99E+05 1.51E+06 3.42E+05 4.80E+05 7.47E+05 3.98E+05 Glycocholic Acid 9.54E+04 1.55E+05 6.05E+04 7.58E+04 6.09E+04 4.14E+04 Enterodiol 7.85E+03 5.81E+03 6.74E+03 4.84E+03 7.91E+03 6.05E+03 4-Hydroxy-3-methoxybenzaldehyde 2.07E+05 2.26E+05 1.98E+05 2.32E+05 2.15E+05 1.99E+05 Xanthine 1.21E+08 1.16E+08 9.57E+07 1.07E+08 9.58E+07 8.34E+07 Adenosine 5'-Monophosphate 9.85E+05 9.94E+05 1.22E+06 1.13E+06 1.11E+06 1.47E+06 Flavin Adenine Dinucleotide(FAD) 6.01E+05 4.56E+05 6.72E+05 5.04E+05 4.83E+05 5.17E+05 Uridine 2.29E+06 3.26E+06 4.80E+06 3.10E+06 3.67E+06 3.14E+06 D-Erythronolactone 2.78E+04 4.24E+04 4.68E+04 1.94E+04 5.85E+04 1.82E+04 Pantothenic acid 3.89E+06 2.50E+06 2.49E+06 2.17E+06 3.58E+06 2.22E+06 Taurine 3.01E+07 2.96E+07 3.68E+07 3.17E+07 2.92E+07 3.67E+07 3-Hydroxy-3-Methyl Butyric Acid 5.73E+04 2.70E+04 5.95E+04 6.37E+04 5.89E+04 5.35E+04 Adipic Acid 6.66E+04 2.99E+04 4.94E+04 4.48E+04 4.47E+04 3.69E+04 Azelaic Acid 2.97E+06 2.10E+06 3.91E+06 2.55E+06 2.11E+06 2.42E+06 Dodecanedioic Acid 3.82E+05 3.30E+05 3.79E+05 3.70E+05 3.66E+05 3.75E+05 Kynurenic Acid 1.65E+05 1.66E+05 1.70E+05 1.10E+05 1.30E+05 1.12E+05 Lactic acid 5.82E+05 1.07E+06 1.02E+06 5.42E+05 8.76E+05 1.04E+06 Malonic acid 5.58E+05 3.24E+05 9.10E+05 5.55E+05 4.65E+05 3.89E+05 Sebacate 3.86E+05 3.27E+05 4.46E+05 3.37E+05 3.36E+05 3.82E+05 Shikimic Acid 5.14E+05 2.87E+05 5.95E+05 6.60E+05 4.35E+05 9.87E+05 Subericacid 1.06E+06 8.65E+05 1.17E+06 1.11E+06 1.05E+06 1.03E+06 TXB2 7.31E+04 1.25E+05 5.72E+04 4.75E+04 2.50E+04 2.41E+04 LPE(18:1/0:0) 1.13E+07 1.02E+07 1.68E+07 1.05E+07 8.59E+06 1.11E+07 LPE(18:0/0:0) 3.13E+06 3.87E+06 3.98E+06 3.40E+06 3.57E+06 2.42E+06 LPE(16:0/0:0) 3.12E+07 3.65E+07 4.27E+07 3.37E+07 2.70E+07 1.92E+07 LPE(14:0/0:0) 1.27E+05 1.08E+05 2.31E+05 1.38E+05 1.06E+05 1.86E+05 LPA(0:0/18:0) 1.62E+05 1.61E+05 1.78E+05 1.31E+05 1.91E+05 1.83E+05 9,10-DiHOME 6.25E+04 6.90E+04 1.07E+05 8.99E+04 7.14E+04 7.28E+04 DHA 8.16E+05 5.64E+05 6.96E+05 5.14E+05 3.84E+05 4.15E+05 Curcumin 4.18E+04 4.42E+04 5.17E+04 4.14E+04 4.84E+04 4.52E+04 4-Hydroxybenzaldehyde 1.06E+05 6.27E+04 6.10E+04 7.41E+04 5.98E+04 7.89E+04 Neopterin 5.73E+04 5.97E+04 4.12E+04 6.19E+04 4.92E+04 4.89E+04 Uridine 5-Monophosphate 9.41E+06 1.51E+07 1.97E+07 1.77E+07 2.32E+07 1.96E+07 Β-Pseudouridine 1.26E+06 1.38E+06 1.21E+06 1.08E+06 5.01E+05 1.13E+06 N-Acetylthreonine 6.04E+04 3.25E+04 4.57E+04 6.45E+04 3.33E+04 3.97E+04 Pantetheine 1.04E+04 7.84E+03 1.08E+04 1.37E+04 1.30E+04 1.97E+04 2'-Deoxycytidine-5'-Monophosphate 2.31E+05 2.42E+05 2.23E+05 2.21E+05 2.52E+05 2.54E+05 Guanine 1.31E+04 2.08E+04 1.47E+05 1.78E+04 2.83E+04 2.55E+04 D-Fructose 6-Phosphate-Disodium Salt 8.56E+06 1.22E+07 8.74E+06 1.32E+07 1.24E+07 1.50E+07 Aminomalonic Acid 4.53E+04 3.42E+04 5.39E+04 4.40E+04 6.02E+04 5.45E+04 2,4-Dihydroxy Benzoic Acid 2.53E+04 8.00E+03 1.39E+04 2.31E+04 2.88E+04 1.07E+04 1,6-di-O-phosphono-D-fructose 2.18E+04 3.83E+04 1.79E+04 2.52E+04 2.98E+04 3.15E+04 Argininosuccinic acid 1.14E+06 1.39E+06 1.42E+06 1.66E+06 1.68E+06 1.61E+06 N-Acetylglucosamine 1-Phosphate 1.15E+06 1.95E+06 1.43E+06 1.77E+06 1.66E+06 2.13E+06 Indole-3-lactic acid 7.30E+05 7.17E+05 7.40E+05 6.72E+05 7.40E+05 6.90E+05 (3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate 1.39E+05 1.54E+05 2.29E+05 1.30E+05 1.09E+05 2.00E+05 ADP-ribose 3.73E+04 4.17E+04 1.03E+05 7.97E+04 1.02E+05 1.99E+05 Hydroxyphenyllactic acid 1.29E+05 1.39E+05 1.60E+05 1.66E+05 1.21E+05 1.86E+05 N-Acetyl-Asp-Glu 7.70E+05 6.06E+05 1.31E+06 7.40E+05 8.75E+05 9.13E+05 Indole 3-carbinol 2.57E+06 2.52E+06 2.60E+06 2.55E+06 2.60E+06 2.54E+06 2-Methylguanosine 5.61E+06 4.22E+06 5.89E+06 3.92E+06 3.05E+06 4.30E+06 GDP-L-fucose 1.01E+05 1.20E+05 7.82E+04 2.03E+05 1.64E+05 1.81E+05 N-lactoyl-phenylalanine 7.21E+05 7.47E+05 8.56E+05 6.81E+05 4.79E+05 8.71E+05 Malic acid 3.09E+06 2.51E+06 2.49E+06 2.32E+06 2.46E+06 2.85E+06 Deoxyguanosine 5'-monophosphate(dGMP) 3.67E+05 3.70E+05 4.62E+05 4.29E+05 4.03E+05 4.86E+05 Tetradecanedioic acid 1.69E+05 1.03E+05 1.49E+05 1.23E+05 1.22E+05 1.52E+05 O-Acetyl-L-serine 3.47E+04 3.73E+04 3.53E+04 2.40E+04 3.79E+04 2.00E+04 Indoxylsulfuric acid 6.05E+04 7.00E+04 3.04E+04 9.22E+04 3.93E+04 1.47E+05 5-oxoETE 5.38E+04 1.88E+04 5.50E+04 3.40E+04 3.06E+04 2.88E+04 Ethylsalicylate 6.88E+05 6.40E+05 7.00E+05 7.98E+05 7.17E+05 6.19E+05 Undecanedioic acid 1.01E+05 1.09E+05 8.53E+04 1.13E+05 1.05E+05 8.23E+04 Glycerol 3-Phosphate 3.27E+05 3.19E+05 3.02E+05 3.67E+05 6.01E+05 7.16E+05 Phenoxyacetic acid 7.85E+04 4.10E+03 6.47E+04 3.51E+04 1.51E+04 2.62E+04 (±)12-HETE 3.51E+06 5.45E+06 4.57E+05 1.15E+06 5.53E+05 9.79E+05 (±)4-HDHA 3.20E+03 2.98E+03 6.16E+03 5.05E+03 2.98E+03 7.05E+03 (±)9-HETE 5.26E+04 7.02E+04 2.14E+04 2.27E+04 2.16E+04 2.16E+04 11-deoxy PGE1 4.78E+06 6.28E+06 1.44E+06 2.17E+06 1.91E+06 2.31E+06 13-oxoODE 2.03E+04 1.73E+04 2.99E+04 2.40E+04 2.22E+04 1.95E+04 14(S)-HDHA 2.01E+05 2.29E+05 2.63E+04 5.16E+04 2.34E+04 4.14E+04 9,10-EpOME 7.41E+04 1.04E+05 1.21E+05 3.71E+04 5.71E+04 3.88E+04 9-oxoODE 4.49E+04 4.91E+04 6.85E+04 5.96E+04 7.21E+04 4.91E+04 PGE1 1.85E+04 2.60E+04 2.31E+04 2.09E+04 2.10E+04 2.09E+04 Prostaglandin E2 1.77E+04 2.19E+04 2.18E+04 1.43E+04 2.30E+04 1.30E+04 PGK1 5.38E+04 3.74E+04 5.34E+04 5.61E+04 4.03E+04 4.37E+04 N-acetyl-beta-alanine 6.65E+05 5.96E+05 7.80E+05 8.32E+05 7.51E+05 9.68E+05 Cysteine-glutathione disulfide 3.34E+06 4.09E+06 2.13E+06 2.29E+06 2.85E+06 2.35E+06 N-acetylornithine 4.56E+06 3.84E+06 3.99E+06 4.83E+06 3.11E+06 4.26E+06 D-Glucosamine 6-Phosphate 4.88E+04 6.17E+04 5.95E+04 6.06E+04 4.71E+04 5.34E+04 3-Dehydroshikimate 7.87E+04 7.21E+04 6.78E+04 8.37E+04 7.29E+04 7.99E+04 N-Methyl-L-Glutamate 6.60E+04 7.98E+04 9.05E+04 6.30E+04 6.19E+04 7.79E+04 N-Amidino-L-Aspartate 2.95E+05 2.49E+05 2.74E+05 2.90E+05 1.98E+05 3.32E+05 Uric acid 1.13E+07 9.96E+06 8.04E+06 9.09E+06 1.05E+07 8.72E+06 7-Methylguanine 3.88E+04 4.26E+04 4.54E+04 2.89E+04 2.34E+04 4.07E+04 5,6-Dimethylbenzimidazole 2.81E+05 2.81E+05 3.23E+05 2.77E+05 2.33E+05 2.60E+05 9(S)-HpOTrE 1.34E+04 7.76E+03 2.46E+04 2.07E+04 4.68E+04 2.52E+04 Tetranor-12(R)-HETE 1.61E+07 1.62E+07 1.70E+07 1.99E+07 1.77E+07 1.98E+07 Iminodiacetic acid 3.92E+06 3.72E+06 3.89E+06 3.23E+06 3.19E+06 3.19E+06 cis-EODA 4.80E+04 5.70E+04 7.84E+04 3.05E+04 2.34E+04 2.94E+04 4-acetoxyphenol 6.73E+07 5.91E+07 5.11E+07 5.97E+07 5.16E+07 4.59E+07 DL-2-hydroxystearic acid 5.54E+05 3.54E+05 1.03E+06 9.74E+05 1.02E+06 7.42E+05 P-chlorophenylalanine 2.52E+06 2.50E+06 2.54E+06 2.52E+06 2.56E+06 2.53E+06 FFA(20:4) 1.09E+06 1.09E+06 1.18E+06 9.93E+05 8.78E+05 9.00E+05 p-Tolyl Sulfate 1.99E+06 3.17E+06 1.34E+06 4.02E+06 3.02E+06 4.26E+06 3-hydroxyhexadecanoic acid 3.98E+04 4.10E+04 5.73E+04 3.02E+04 2.95E+04 2.38E+04 Formamide 2.82E+03 3.62E+03 6.96E+03 1,2-epoxy-3-(p-nitrophenoxy) propane 2.54E+03 3.79E+03 3.08E+03 L-tyrosine methyl ester 4-sulfate 1.11E+04 8.06E+03 8.81E+03 5.80E+03 5.97E+03 7.60E+03 3-Sulfocatechol 1.29E+05 1.04E+05 7.89E+05 6.97E+04 4.87E+05 5.22E+04 2-(4-hydroxyphenyl) propionate 1.68E+04 1.45E+04 2.70E+04 2.32E+04 1.55E+04 2.22E+04 Bis(1-inositol)-3,1'-phosphate 1-phosphate 2.91E+05 3.67E+05 3.58E+05 3.09E+05 1.90E+05 4.66E+05 L-2-amino-6-oximelic acid 4.38E+04 4.19E+04 5.13E+04 5.60E+04 3.78E+04 4.50E+04 Cyclic ADP ribose 3.12E+05 1.28E+05 4.93E+05 6.07E+05 6.34E+05 9.69E+05 5-O-(1-carboxyvinyl)-3-phosphate 5.65E+05 8.52E+05 1.05E+06 9.63E+05 1.15E+06 1.09E+06 2-(α-D-mannosyl)-3-phosphate glyceride 5.74E+04 6.66E+04 5.32E+04 7.64E+04 7.30E+04 7.76E+04 3-(pyrazol-1-yl)-L-alanine 2.56E+05 2.75E+05 3.47E+05 2.80E+05 2.58E+05 2.87E+05 1-pyrroline-4-hydroxy-2-carboxylate 5.65E+04 2.63E+04 4.65E+04 5.04E+04 2.89E+04 3.61E+04 LPI(16:0) 1.26E+05 1.23E+05 1.75E+05 1.37E+05 1.10E+05 5.91E+04 LPS(18:3) 1.84E+04 3.27E+04 2.26E+04 2.01E+04 2.01E+04 1.85E+04 LPE(0:0/22:4) 4.25E+04 4.72E+04 2.50E+05 1.59E+05 9.25E+04 1.38E+05 LPE(22:4/0:0) 2.26E+06 2.29E+06 3.55E+06 2.12E+06 1.65E+06 3.48E+06 LPE(0:0/22:5) 1.71E+05 1.37E+05 2.13E+05 1.62E+05 1.04E+05 3.71E+05 LPE(22:5/0:0) 1.42E+06 1.10E+06 1.30E+06 9.36E+05 6.53E+05 1.05E+06 LPE(22:6/0:0) 1.00E+07 7.50E+06 1.39E+07 8.95E+06 6.93E+06 8.47E+06 LPE(0:0/20:2) 1.53E+05 1.19E+05 3.07E+05 1.54E+05 1.23E+05 1.05E+05 LPE(20:2/0:0) 4.57E+05 6.18E+05 8.16E+05 5.57E+05 5.38E+05 4.52E+05 LPE(0:0/20:3) 5.34E+05 5.65E+05 9.31E+05 5.21E+05 3.62E+05 6.15E+05 LPE(20:3/0:0) 4.78E+06 4.48E+06 9.49E+06 4.70E+06 2.91E+06 3.81E+06 LPE(20:4/0:0) 3.57E+07 3.14E+07 5.66E+07 3.22E+07 2.40E+07 3.45E+07 LPE(20:5/0:0) 1.68E+05 5.77E+04 7.89E+04 9.21E+04 3.93E+04 1.06E+05 LPE(0:0/18:0) 8.61E+05 1.02E+06 1.20E+06 7.93E+05 7.36E+05 6.54E+05 LPE(18:3/0:0) 1.80E+05 1.67E+05 2.88E+05 1.34E+05 1.08E+05 1.20E+05 LPE(0:0/16:0) 4.98E+07 5.53E+07 6.92E+07 4.61E+07 4.21E+07 4.42E+07 LPE(0:0/16:1) 8.59E+05 8.35E+05 1.48E+06 9.12E+05 7.55E+05 8.41E+05 2-Hydroxycaprylic acid 1.19E+05 9.60E+04 1.20E+05 1.00E+05 1.03E+05 1.06E+05 2-hydroxyphenylacetic acid 2.65E+04 1.28E+04 1.61E+04 1.58E+04 1.51E+04 1.95E+04 2-Methylglutaric Acid 1.06E+05 6.56E+04 6.55E+04 7.60E+04 5.57E+04 4.59E+04 N-Cinnamylglycine 1.89E+05 1.86E+05 1.98E+05 1.78E+05 1.87E+05 1.94E+05 2-Deoxyribose-5'-phosphate 7.93E+05 9.73E+05 4.13E+05 6.94E+05 8.20E+05 4.07E+05 Tridecanedioic acid 2.08E+05 1.69E+05 2.09E+05 1.90E+05 1.75E+05 1.71E+05 N-Palmitoylglycine 2.41E+04 2.26E+04 2.40E+04 3.60E+04 1.94E+04 1.65E+04 Taurolithocholic acid 3.23E+05 1.07E+05 1.97E+05 2.39E+05 2.62E+05 3.54E+05 15(S)-HETrE 4.02E+04 2.63E+04 8.08E+04 4.48E+04 3.68E+04 2.47E+04 2,3-dinor-8-iso Prostaglandin F2α 1.35E+04 1.20E+04 1.09E+04 1.20E+04 1.34E+04 1.13E+04 tetranor-PGFM 3.91E+06 3.23E+06 3.80E+06 4.22E+06 4.02E+06 4.10E+06 9(S),12(S),13(S)-TriHOME 4.29E+05 3.03E+05 5.75E+05 4.78E+05 4.36E+05 3.73E+05 Prostaglandin B2 1.27E+05 4.57E+04 8.59E+04 1.24E+05 1.87E+05 7.80E+04 (±)11(12)-DiHET 1.87E+04 4.46E+03 3.27E+04 3.24E+04 1.91E+04 1.56E+04 11-HEDE 1.64E+04 9.97E+03 1.72E+04 1.70E+04 1.42E+04 1.41E+04 (±)19(20)-EpDPE(A) 2.32E+05 2.46E+05 4.91E+04 7.66E+04 5.59E+04 3.69E+04 11-keto-TXB2 3.19E+05 3.51E+05 3.31E+05 3.43E+05 3.45E+05 3.15E+05 Sorbitol 6-phosphate 8.56E+04 6.32E+04 9.51E+04 6.55E+04 8.74E+04 8.74E+04 Acetaminophen sulfate 3.88E+03 4.50E+06 6.01E+03 Glycerophospho-N-Arachidonoyl Ethanolamine 1.94E+07 1.75E+07 2.59E+07 1.75E+07 1.16E+07 2.16E+07 Testosterone sulfate 3.13E+05 3.03E+05 3.63E+05 3.07E+05 2.50E+05 2.96E+05 FFA(16:2) 6.77E+06 6.68E+06 6.61E+06 6.61E+06 6.85E+06 6.41E+06 2'-O-methyluridine 2.11E+05 2.23E+05 1.42E+05 1.14E+05 8.10E+04 1.74E+05 2-Phenylbutyric acid 6.45E+04 5.38E+04 7.15E+04 6.68E+04 5.38E+04 7.20E+04 3-Methyluridine 4.63E+04 5.66E+04 9.51E+04 5.61E+04 5.91E+04 4.94E+04 5,6-Dihydrouridine 6.56E+04 5.56E+04 5.73E+04 4.02E+04 3.62E+04 8.45E+04 5-Hydroxy-2'-deoxyuridine 2.68E+06 2.02E+06 1.91E+06 1.61E+06 1.19E+06 1.35E+06 Acetylvaline 5.17E+04 3.38E+04 4.23E+04 5.22E+04 3.66E+04 4.52E+04 Aleuritic Acid 3.02E+04 2.53E+04 3.33E+04 3.71E+04 3.54E+04 2.90E+04 Cytidine 5'-monophosphate-N-acetylneuraminic acid（CMP-NANA） 3.68E+05 6.40E+05 7.66E+05 5.47E+05 9.30E+05 8.25E+05 Galacturonic acid 6.20E+04 5.92E+04 6.04E+04 4.32E+04 6.58E+04 5.90E+04 Val-Ala 3.22E+06 2.32E+06 4.11E+06 2.79E+06 2.37E+06 2.73E+06 2-Hydroxyethanesulfonate 1.06E+06 1.05E+06 1.23E+06 1.14E+06 9.80E+05 1.24E+06 Pro-Gly 6.54E+04 4.40E+04 4.12E+04 5.67E+04 4.72E+04 5.65E+04 Phosphonoacetic acid 1.12E+05 1.12E+05 1.20E+05 1.77E+05 1.33E+05 2.83E+05 Sucrose 6′-monophosphate 3.37E+04 4.18E+04 3.46E+04 4.79E+04 4.51E+04 4.69E+04 Xanthosine-5'-monophosphate 6.22E+05 8.08E+05 9.42E+05 9.61E+05 1.38E+06 8.80E+05 LPA(16:0/0:0) 2.96E+05 2.93E+05 3.50E+05 3.59E+05 2.45E+05 3.26E+05 FFA(22:4) 2.67E+05 2.71E+05 4.15E+05 2.17E+05 1.53E+05 2.03E+05 Ampicillin 1.03E+05 4.66E+04 6.70E+04 3.99E+04 2.34E+04 5.33E+04 Cytidine 2',3'-Cyclic Monophosphoric Acid 4.01E+05 3.58E+05 6.24E+05 5.22E+05 6.21E+05 6.55E+05 Glu-Val 4.12E+04 2.72E+04 3.24E+04 2.98E+04 2.69E+04 2.52E+04 N-Acetyl-5-Aminosalicylic Acid 7.13E+04 1.41E+05 1.09E+05 7.06E+04 8.99E+04 8.88E+04 Barbital 5.56E+04 4.49E+04 4.87E+04 4.38E+04 5.85E+04 4.08E+04 Androsterone sulfate 8.33E+04 5.70E+04 2.53E+04 1.08E+04 2.33E+04 2.34E+04 Gemfibrozil 6.11E+05 4.66E+05 4.06E+05 4.86E+05 5.18E+05 4.68E+05 Hydroxypiperazic acid 1.18E+06 1.00E+06 1.17E+06 1.38E+06 1.12E+06 1.41E+06 Cyclic di-AMP 4.12E+04 3.43E+04 1.95E+04 4.75E+04 2.34E+04 2.75E+04 His-Ser 3.92E+04 4.77E+04 5.73E+04 5.39E+04 4.52E+04 5.79E+04 3-(2-Hydroxyphenyl)propanoic acid 2.27E+07 2.35E+07 2.28E+07 2.26E+07 2.34E+07 2.32E+07 Dihydrocaffeic acid 6.07E+04 5.72E+04 6.03E+04 3.99E+04 5.27E+04 6.00E+04 Isokaurenoic acid 1.42E+07 2.97E+06 7.32E+06 4.92E+06 5.16E+06 5.06E+06 Piperonylic acid 2.95E+04 2.54E+04 2.58E+04 3.38E+04 2.95E+04 2.50E+04 3-Hydroxy-4-methoxybenzoic acid 1.27E+04 9.90E+03 8.18E+03 8.19E+03 6.40E+03 6.92E+03 2-Naphthoic acid 4.75E+05 4.17E+05 4.27E+05 4.52E+05 4.44E+05 4.24E+05 2-Hexyldecanoic acid 1.81E+06 1.58E+06 1.59E+06 1.54E+06 1.28E+06 1.49E+06 DL-O-tyrosine 1.41E+05 1.37E+05 1.45E+05 1.31E+05 1.10E+05 1.50E+05 4,4'-Dihydroxybenzophenone 6.33E+04 6.24E+04 6.08E+04 6.00E+04 6.00E+04 5.89E+04 7,8,4'-Trihydroxyisoflavone 1.41E+05 1.34E+05 9.46E+04 6.76E+04 8.27E+04 9.99E+04 Prostaglandin B1 1.16E+04 4.87E+03 9.68E+03 1.03E+04 1.52E+04 6.33E+03 8-iso Prostaglandin E1 2.05E+04 2.24E+04 2.53E+04 2.60E+04 1.97E+04 2.36E+04 20-Hydroxy Prostaglandin F2α 3.82E+05 3.67E+05 3.72E+05 4.35E+05 3.49E+05 4.39E+05 2,6-Di-tert-butyl-4-(hydroxymethyl)phenol 5.84E+07 5.81E+07 5.47E+07 5.56E+07 5.72E+07 5.55E+07 9,10-dihydroxystearic acid 1.02E+05 1.07E+05 1.58E+05 1.46E+05 1.31E+05 1.26E+05 N-Myristoylglycine 4.92E+04 4.41E+04 4.45E+04 1.05E+05 2.97E+04 3.32E+04 Trolox 8.77E+04 6.24E+04 1.25E+05 8.41E+04 4.96E+04 6.58E+04 beta-Muricholic acid 2.17E+05 6.02E+05 5.59E+05 6.56E+04 3.16E+05 1.40E+05 Glycodeoxycholic acid 2.41E+04 5.47E+04 4.17E+04 7.24E+03 8.54E+03 1.24E+04 Asn-Glu 1.52E+04 2.08E+04 2.58E+04 1.68E+04 1.83E+04 3.83E+04 Asn-Asp 2.42E+04 2.36E+04 3.64E+04 3.14E+04 2.08E+04 5.57E+04 Asp-Gly 8.43E+03 1.11E+04 1.22E+04 1.52E+04 6.54E+03 1.74E+04 Ribonic Acid 5.56E+04 5.10E+04 5.22E+04 3.79E+04 4.43E+04 4.98E+04 4-Hydroxy-L-Glutamic Acid 6.62E+04 8.08E+04 9.09E+04 1.03E+05 1.30E+05 1.28E+05 Val-Thr 2.05E+06 2.64E+06 1.98E+06 1.88E+06 1.71E+06 2.02E+06 O-Phospho-L-threonine 3.54E+04 1.05E+05 6.42E+04 9.22E+04 9.44E+04 9.91E+04 Morpholine ethanesulfonic acid 9.19E+04 1.37E+05 1.16E+05 1.05E+05 9.74E+04 1.34E+05 Sulfoacetic acid 1.71E+05 1.01E+05 9.18E+04 8.16E+04 7.71E+04 7.46E+04 Val-Hyp 8.21E+04 6.92E+04 1.05E+05 5.41E+04 1.08E+05 6.99E+04 2-methyl citric acid 3.62E+04 2.85E+04 1.08E+04 2.60E+04 cyclo(gly-glu) 6.67E+04 4.59E+04 5.78E+04 7.16E+04 5.63E+04 6.79E+04 α-Hydroxyglutaric Acid (sodium salt) 1.16E+05 9.80E+04 1.44E+05 1.02E+05 1.12E+05 1.24E+05 Pyrimidine-4-carboxylic acid 1.36E+05 1.24E+05 1.22E+05 1.25E+05 1.30E+05 1.36E+05 cyclo(glu-glu) 2.51E+04 2.34E+04 3.87E+04 2.54E+04 1.89E+04 2.72E+04 Met-Val 8.99E+03 8.45E+03 9.41E+03 8.01E+03 8.41E+03 1.06E+04 Ile-Val 3.87E+03 4.80E+03 4.80E+03 4.70E+03 3.37E+03 3.57E+03 Trp-Asn 4.49E+04 4.38E+04 9.65E+04 7.40E+04 3.60E+04 9.08E+04 Asp-Leu 2.72E+04 2.81E+04 5.46E+04 6.77E+04 4.30E+04 1.42E+05 2-Hydroxy-3-Methyl Butanoic Acid 1.67E+05 1.99E+05 3.43E+05 2.31E+05 1.59E+05 2.77E+05 Val-Phe-Ala 2.05E+04 1.81E+04 2.17E+04 1.78E+04 1.82E+04 2.17E+04 Homovanillic Acid sulfate (sodium salt) 5.07E+04 5.96E+04 5.55E+04 5.28E+04 3.78E+04 7.77E+04 Hydrochlorothiazide 2.59E+03 3.12E+03 2.93E+03 4-Acetylaminobenzoic acid 1.35E+05 1.75E+05 5.68E+05 9.27E+04 9.89E+04 1.16E+05 4-toluenesulfonic acid 7.66E+04 7.39E+04 6.55E+04 5.45E+04 4.77E+04 2.65E+04 DL-phenylmercapto uric acid 9.11E+03 1.08E+04 9.54E+03 8.36E+03 1.02E+04 9.87E+03 3-Hydroxyvalproic acid 6.64E+03 1.02E+04 1.12E+04 8.17E+03 8.43E+03 1.22E+04 Inositol 1-phosphate 3.06E+06 4.49E+06 3.41E+06 4.85E+06 4.31E+06 5.15E+06 Pyrazine-2-carboxylic acid 1.01E+05 1.18E+05 1.36E+05 1.18E+05 1.20E+05 1.39E+05 3-Hydroxy-L-phenylalanine 2.09E+06 1.73E+06 1.49E+06 2.77E+06 1.57E+06 1.19E+06 Lys-Gly 5.77E+05 6.37E+05 6.69E+05 5.71E+05 5.47E+05 6.99E+05 Gly-Glu 1.40E+04 1.05E+04 1.14E+04 1.21E+04 1.07E+04 1.40E+04 Pro-Asp 5.10E+05 5.13E+05 6.76E+05 5.10E+05 4.78E+05 4.91E+05 γ-Glu-Met 6.73E+04 3.98E+04 4.81E+04 5.26E+04 6.11E+04 4.22E+04 2-O-α-D-glucopyranosyl-L-ascorbic acid 9.82E+04 6.99E+04 7.46E+04 1.47E+05 1.40E+05 8.50E+04 4-Nitrobenzoic acid 2.87E+06 2.97E+06 2.86E+06 2.82E+06 2.95E+06 2.85E+06 10-Hydroxystearic Acid 1.45E+05 1.20E+05 1.36E+05 1.31E+05 1.40E+05 1.28E+05 2-Heptyl-4-hydroxyquinoline n-oxide 8.08E+03 7.29E+03 1.09E+04 5.93E+03 6.97E+03 7.66E+03 Arg-Phe-Val-Asp 3.15E+04 4.31E+04 3.66E+04 3.57E+04 3.57E+04 3.20E+04 o-Methoxyphenyl sulfate 3.09E+04 6.10E+04 5.65E+04 6.73E+04 7.91E+04 6.94E+04 CMPF 5.38E+05 1.47E+05 8.43E+04 2.93E+05 6.16E+05 2.77E+05 p-Cresol glucuronide 2.29E+03 9.40E+03 6.78E+02 6.11E+03 3.83E+03 5.44E+03 Isopropyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate 2.89E+05 2.85E+05 4.75E+05 5.42E+05 4.06E+05 4.32E+05 Glycochenodeoxycholic acid 7-sulfate 2.06E+04 9.32E+03 3.23E+04 1.53E+04 2.12E+04 1.98E+04 N-Acetylaminooctanoic acid 4.36E+04 2.07E+04 1.99E+04 2.16E+04 2.14E+04 2.72E+04 Arachidonoyl LPA 7.41E+04 5.81E+04 6.12E+04 6.18E+04 4.29E+04 2.07E+04 Beraprost 2.82E+05 7.40E+04 2.95E+05 2.51E+05 1.38E+05 1.81E+05 9,10-Epoxy-18-hydroxyoctadecanoic acid 7.44E+04 6.25E+04 1.17E+05 9.12E+04 7.47E+04 6.67E+04 5-Acetylamino-6-formylamino-3-methyluracil 5.53E+03 8.88E+03 7.65E+03 2.10E+04 5.37E+03 1.89E+04 5-Hydroxyisourate 1.06E+06 1.04E+06 7.67E+05 9.56E+05 9.82E+05 8.29E+05 21-Hydroxypregnenolone 3.72E+04 3.25E+04 5.09E+04 2.36E+04 2.33E+04 3.86E+04 6-Phosphogluconic acid 4.23E+05 3.65E+05 5.18E+05 8.15E+05 8.06E+05 1.03E+06 LPE(0:0/14:0) 3.61E+04 2.62E+04 6.76E+04 4.25E+04 2.39E+04 5.36E+04 FFA(20:5) 3.09E+05 4.58E+05 5.00E+04 1.16E+05 5.96E+04 4.91E+04 FFA(15:0) 3.28E+06 3.02E+06 2.99E+06 5.19E+06 2.99E+06 2.92E+06 FFA(18:0) 7.70E+05 1.11E+06 1.01E+06 6.35E+05 9.23E+05 8.81E+05 FFA(22:5) 2.23E+06 7.27E+05 1.36E+06 9.24E+05 8.34E+05 9.29E+05 LPE(20:1/0:0) 1.13E+05 8.77E+04 1.09E+05 8.11E+04 7.43E+04 8.75E+04 LPE(18:2/0:0) 7.92E+06 7.51E+06 8.50E+06 5.08E+06 3.53E+06 5.39E+06 LPE(22:3/0:0) 4.20E+04 3.36E+04 6.45E+04 3.54E+04 3.18E+04 4.55E+04 LPS(20:0) 2.41E+04 1.41E+04 2.87E+04 1.50E+04 1.28E+04 1.73E+04 DL-Homocysteine 5.64E+05 5.37E+05 5.38E+05 5.35E+05 4.65E+05 5.65E+05 L-Glycine 2.72E+05 2.37E+05 2.88E+05 1.87E+05 1.83E+05 2.00E+05 L-Cystine 5.17E+05 3.35E+05 3.52E+05 2.69E+05 3.27E+05 2.88E+05 Lysine 7.92E+07 6.47E+07 7.97E+07 7.88E+07 6.03E+07 8.21E+07 L-Ornithine 6.31E+05 2.54E+05 5.09E+05 4.48E+05 2.69E+05 4.99E+05 L-Citrulline 1.01E+06 7.82E+05 8.35E+05 9.34E+05 7.00E+05 7.38E+05 L-Glutamic Acid 4.69E+07 4.73E+07 5.29E+07 3.92E+07 3.67E+07 4.89E+07 Histidine 2.53E+07 1.75E+07 3.11E+07 2.28E+07 1.66E+07 2.19E+07 L-Methionine 7.59E+06 1.87E+07 1.90E+07 1.00E+07 8.14E+06 1.07E+07 L-Phenylalanine 3.37E+07 3.39E+07 3.60E+07 3.67E+07 3.26E+07 3.67E+07 L-Tryptophan 1.42E+05 1.81E+05 1.91E+05 3.76E+05 1.85E+05 4.48E+05 5-Hydroxy-L-Tryptophan 1.07E+05 1.14E+05 1.08E+05 8.76E+04 1.02E+05 8.58E+04 5-Oxoproline 3.66E+07 2.66E+07 3.97E+07 2.83E+07 2.47E+07 3.27E+07 Asp-Phe 2.88E+05 2.30E+05 3.53E+05 3.34E+05 2.83E+05 6.87E+05 Glutathione Oxidized 2.26E+06 3.76E+06 1.33E+06 1.78E+06 3.04E+06 2.30E+06 Gly-Pro 1.25E+05 2.66E+05 1.98E+05 2.48E+05 1.53E+05 4.04E+05 L-Asparagine Anhydrous 1.70E+06 1.49E+06 2.05E+06 1.94E+06 1.20E+06 1.95E+06 L-Cysteine 6.45E+06 5.46E+06 6.33E+06 4.78E+06 4.30E+06 5.33E+06 L-Dopa 5.05E+04 4.03E+04 3.74E+04 7.00E+04 7.69E+04 5.17E+04 L-Glutamine 8.07E+07 6.52E+07 8.42E+07 4.61E+07 3.41E+07 4.46E+07 L-Homocitrulline 1.32E+05 1.74E+05 1.26E+05 1.37E+05 7.88E+04 1.35E+05 L-Theanine 7.04E+06 4.47E+06 6.70E+06 7.18E+06 4.02E+06 5.81E+06 N6-Acetyl-L-Lysine 1.95E+06 1.97E+06 1.23E+06 1.08E+06 9.46E+05 8.71E+05 N-Acetylaspartate 1.28E+05 1.35E+05 1.16E+05 1.18E+05 1.28E+05 1.21E+05 N-Acetylcysteine 7.09E+04 7.64E+04 8.08E+04 8.17E+04 9.03E+04 9.27E+04 Gly-Leu 3.88E+05 5.80E+05 6.78E+05 5.20E+05 4.81E+05 8.66E+05 Nα-Acetyl-L-Arginine 7.89E+05 7.18E+05 7.09E+05 7.70E+05 8.46E+05 8.01E+05 Phe-Phe 2.24E+04 2.04E+04 2.08E+04 1.97E+04 2.11E+04 2.63E+04 S-(5-Adenosy)-L-Homocysteine 2.40E+06 1.81E+06 2.77E+06 2.28E+06 2.11E+06 2.40E+06 S-Sulfo-L-Cysteine 1.80E+05 5.50E+04 9.23E+04 9.14E+04 Tyramine 1.26E+05 1.20E+05 1.12E+05 1.27E+05 1.27E+05 9.84E+04 Urea 8.60E+06 4.97E+06 6.56E+06 4.77E+06 4.93E+06 5.46E+06 N-Acetylhistamine 5.04E+06 3.60E+06 3.77E+06 3.51E+06 3.40E+06 4.23E+06 P-Coumaric Acid 1.21E+07 1.19E+07 1.35E+07 1.56E+07 1.28E+07 1.63E+07 1,4-Dihydro-1-Methyl-4-Oxo-3-Pyridinecarboxamide 1.27E+07 9.61E+06 9.55E+06 9.94E+06 8.83E+06 1.11E+07 4-Pyridoxic Acid 8.18E+04 5.30E+04 2.09E+04 1.80E+04 6.96E+04 1.02E+04 Theobromine 7.85E+05 1.53E+05 1.52E+06 2.23E+05 8.80E+05 2.27E+05 Choline 1.68E+06 1.64E+06 2.02E+06 1.59E+06 1.44E+06 1.74E+06 Putrescine 1.12E+05 1.16E+05 1.89E+05 1.23E+05 8.99E+04 1.27E+05 Biotin 1.09E+05 1.08E+05 1.82E+05 1.52E+05 1.47E+05 1.33E+05 1-Methylhistidine 5.97E+05 6.60E+05 6.77E+05 7.40E+05 5.86E+05 8.26E+05 1-Methylxanthine 1.83E+05 1.63E+05 1.55E+05 1.18E+05 1.09E+05 1.34E+05 3'-Adenylic acid 4.22E+06 5.72E+06 5.32E+06 6.44E+06 6.49E+06 7.98E+06 3-Methylxanthine 1.55E+05 5.14E+04 2.16E+05 5-Methylcytosine 4.72E+05 5.30E+05 5.41E+05 5.14E+05 4.18E+05 5.41E+05 5-Methyluridine 7.73E+04 1.27E+05 1.57E+05 1.12E+05 1.11E+05 9.65E+04 7-Methylxanthine 6.87E+05 5.48E+05 6.57E+05 5.01E+05 3.90E+05 5.37E+05 Adenine 2.15E+06 1.70E+06 2.52E+06 2.65E+06 2.19E+06 2.94E+06 Adenosine 9.84E+06 9.25E+06 1.00E+07 7.70E+06 1.13E+07 8.10E+06 Adenosine 5'-Diphosphate（ADP） 2.08E+05 2.85E+05 7.79E+05 6.85E+05 1.37E+06 2.49E+06 Cytidine 2.06E+05 2.85E+05 2.03E+05 2.12E+05 2.58E+05 1.91E+05 Cytidine-5-Monophosphate 4.19E+06 1.01E+07 4.89E+06 9.92E+06 5.85E+06 4.66E+06 Cytosine 3.83E+06 5.74E+06 4.78E+06 4.90E+06 8.02E+06 6.57E+06 Guanosine 3',5'-Cyclic Monophosphate 3.85E+05 4.71E+05 5.37E+05 4.90E+05 8.40E+05 4.57E+05 Guanosine-5'-monophosphate 3.39E+06 4.95E+06 4.25E+06 2.22E+06 3.39E+06 2.89E+06 Hypoxanthine 1.91E+06 1.55E+06 1.46E+06 1.81E+06 1.94E+06 1.85E+06 Nicotinamide Adenine Dinucleotide 1.82E+05 1.27E+05 3.90E+05 5.13E+05 1.13E+06 1.61E+06 Purine 2.40E+06 2.60E+06 2.68E+06 2.71E+06 2.37E+06 2.69E+06 Pyrimidine 1.05E+05 1.01E+05 1.07E+05 8.60E+04 1.07E+05 9.63E+04 Thymine 1.43E+06 1.04E+06 1.19E+06 8.38E+05 5.45E+05 8.91E+05 Uracil 6.76E+06 1.34E+07 1.73E+07 8.95E+06 1.09E+07 8.27E+06 Β-Nicotinamide Mononucleotide 2.89E+05 1.14E+05 1.17E+06 1.00E+06 1.50E+06 2.15E+06 Epinephrine 3.64E+05 4.52E+05 4.34E+05 3.75E+05 3.74E+05 4.53E+05 L-Thyroxine 1.60E+05 1.52E+05 2.36E+05 1.13E+05 1.26E+05 1.17E+05 Metanephrine 3.08E+04 3.14E+04 6.18E+04 2.71E+04 8.26E+04 4.28E+04 Succinic Acid 1.07E+05 8.88E+04 1.04E+05 1.22E+05 1.06E+05 1.16E+05 Mannitol 3.81E+05 1.20E+05 1.94E+05 3.60E+05 2.77E+05 2.31E+05 Ribitol 5.11E+05 3.26E+05 4.10E+05 3.08E+05 2.79E+05 3.07E+05 Pyridoxine 3.18E+04 4.36E+04 1.54E+04 3.25E+04 3.12E+04 5.20E+04 Nicotinic Acid 1.08E+06 8.04E+05 1.03E+06 9.42E+05 9.52E+05 9.80E+05 Riboflavin 1.64E+06 1.80E+06 1.74E+06 1.36E+06 1.32E+06 1.48E+06 Trigonelline 6.38E+05 5.58E+05 5.72E+05 4.95E+05 4.74E+05 5.46E+05 3-Indolebutyric Acid 8.23E+06 8.46E+06 8.16E+06 7.98E+06 8.07E+06 7.90E+06 3-Indolepropionic Acid 1.04E+05 1.83E+05 5.09E+05 1.57E+05 1.65E+05 1.33E+05 Indole-3-Carboxaldehyde 4.58E+06 4.38E+06 4.36E+06 4.12E+06 4.20E+06 4.58E+06 Methyl Indole-3-Acetate 4.23E+05 4.22E+05 4.01E+05 3.78E+05 3.84E+05 3.69E+05 2-Aminoethanesulfinic Acid 3.55E+04 8.30E+04 7.35E+04 4.63E+04 3.64E+04 3.55E+04 3,4,5-Trimethoxycinnamic Acid 2.59E+04 2.48E+04 3.87E+04 4-Guanidinobutyric Acid 6.23E+06 5.23E+06 4.71E+06 7.84E+06 6.25E+06 1.11E+07 5-Aminovaleric Acid 6.32E+04 6.75E+04 7.18E+04 7.65E+04 3.82E+04 4.70E+04 Creatinine 5.36E+05 4.14E+05 4.04E+05 4.57E+05 2.81E+05 4.38E+05 Dl-2-Aminooctanoic Acid 1.72E+06 3.91E+05 7.54E+05 5.97E+05 2.46E+05 7.61E+05 Guanidineacetic Acid 7.38E+04 7.89E+04 7.16E+04 6.10E+04 5.07E+04 5.54E+04 Guanidinoethyl Sulfonate 1.64E+05 1.90E+05 2.30E+05 2.31E+05 1.94E+05 2.71E+05 Hippuric Acid 1.08E+05 1.50E+05 4.78E+05 6.93E+04 7.93E+04 9.55E+04 L-kynurenine 2.77E+07 2.96E+07 3.43E+07 2.82E+07 2.55E+07 3.02E+07 Maleic Acid 3.44E+06 3.05E+06 3.39E+06 3.29E+06 2.53E+06 2.96E+06 N'-Formylkynurenine 4.89E+05 9.43E+05 7.37E+05 1.04E+06 6.12E+05 1.27E+06 2-(Formylamino)Benzoic Acid 3.42E+05 3.81E+05 4.17E+05 3.55E+05 3.66E+05 4.51E+05 Cyclic Amp 2.60E+06 2.33E+06 2.69E+06 2.39E+06 3.09E+06 2.12E+06 N6-Succinyl Adenosine 1.21E+07 9.33E+06 8.30E+06 6.24E+06 7.13E+06 8.24E+06 2-(Dimethylamino)Guanosine 5.44E+06 4.32E+06 5.13E+06 2.60E+06 1.91E+06 4.06E+06 8-Hydroxy-2-Deoxyguanosine 7.86E+06 4.69E+06 8.66E+06 6.27E+06 1.07E+07 6.68E+06 L-Homoarginine 1.15E+06 1.37E+06 6.50E+05 9.50E+05 6.76E+05 1.04E+06 Arainosine 2.78E+06 3.56E+06 3.52E+06 3.21E+06 4.40E+06 5.19E+06 4-Hydroxyretinoic Acid 1.50E+06 1.39E+06 2.26E+06 1.48E+06 1.62E+06 2.18E+06 Piperidine acid 2.91E+07 3.28E+07 3.21E+07 2.72E+07 2.76E+07 2.79E+07 5'-Deoxy-5'-(Methylthio) Adenosine 8.91E+05 1.83E+06 2.35E+06 2.37E+06 1.94E+06 3.51E+06 Cys-Gly 9.04E+05 1.04E+06 9.82E+05 1.15E+06 1.07E+06 9.66E+05 Imidazoleacetic acid 1.09E+06 7.83E+05 8.47E+05 1.09E+06 9.71E+05 9.80E+05 Sn-Glycero-3-Phosphocholine 5.40E+06 1.04E+07 9.96E+06 8.92E+06 9.92E+06 7.64E+06 Indole 2.99E+06 3.23E+06 3.68E+06 2.97E+06 2.74E+06 3.19E+06 LPC(0:0/18:2) 9.12E+06 9.87E+06 1.23E+07 6.66E+06 6.28E+06 6.08E+06 2-Hydroxycinnamic acid 1.22E+07 1.27E+07 1.34E+07 1.51E+07 1.31E+07 1.63E+07 Carnitine C2:0 3.24E+07 2.86E+07 3.66E+07 3.14E+07 3.38E+07 2.90E+07 Thiamine 2.75E+05 1.54E+05 6.26E+04 2.05E+05 1.56E+05 2.29E+05 DL-Carnitine 8.25E+06 8.62E+06 8.93E+06 9.94E+06 7.86E+06 1.15E+07 6-Dimethylaminopurine 2.31E+06 2.02E+06 2.06E+06 2.25E+06 1.94E+06 2.02E+06 Indole-3-acetamide 4.88E+05 5.79E+05 4.85E+05 4.53E+05 4.13E+05 4.50E+05 Triethyl-phosphate 4.31E+05 3.21E+05 3.42E+05 3.19E+05 3.17E+05 2.77E+05 7,8-dihydro-L-Biopterin 4.63E+04 4.04E+04 3.77E+04 3.60E+04 3.86E+04 3.29E+04 2-Pyrrolidinone 4.53E+06 2.96E+06 4.37E+06 5.21E+06 4.21E+06 5.81E+06 Pterine 3.37E+04 4.83E+04 5.19E+04 3.22E+04 4.56E+04 3.18E+04 Spermidine 1.57E+05 9.38E+04 2.18E+05 6.26E+05 3.19E+05 8.99E+05 Phe-Pro 2.11E+05 3.13E+05 2.34E+05 3.66E+05 2.45E+05 5.50E+05 Ethyl-dodecanoate 9.50E+04 1.05E+05 9.05E+04 9.70E+04 1.33E+05 7.03E+04 L-Tyrosine methyl ester 1.27E+05 1.00E+05 9.05E+04 Butylamine 4.23E+05 5.88E+05 4.28E+05 4.92E+05 3.56E+05 4.77E+05 Methylcysteine 1.82E+06 1.70E+06 2.33E+06 2.66E+06 3.02E+06 2.46E+06 Barbituric acid 1.18E+06 1.37E+06 1.51E+06 1.49E+06 1.77E+06 1.50E+06 Pyrrolidine 9.69E+06 7.60E+06 1.21E+07 9.55E+06 7.07E+06 1.03E+07 1-Naphthylamine 4.39E+05 4.38E+05 4.36E+05 4.33E+05 4.24E+05 4.22E+05 6-Methylnicotinamide 7.40E+07 6.90E+07 6.90E+07 7.18E+07 7.77E+07 8.25E+07 (R)-2-Hydroxy-3-phenylpropionic acid 5.42E+06 5.40E+06 4.99E+06 4.73E+06 5.29E+06 4.77E+06 N-Cyclohexylformamide 4.96E+05 4.91E+05 4.79E+05 4.70E+05 4.86E+05 4.95E+05 Gly-Phe 6.40E+05 1.34E+06 1.31E+06 1.11E+06 1.10E+06 2.80E+06 SPH(d18:0) 4.65E+05 5.40E+05 4.37E+05 4.22E+05 5.73E+05 5.32E+05 3'-UMP 6.08E+05 9.16E+05 9.78E+05 1.05E+06 1.37E+06 1.18E+06 O-Succinyl-L-Homoserine 7.24E+04 1.04E+05 1.01E+05 7.30E+04 7.11E+04 1.09E+05 Cytidine 5'-Diphosphocholine 5.36E+05 1.08E+06 1.06E+06 6.87E+05 7.34E+05 8.70E+05 N-Alpha-Acetyl-L-Asparagine 3.76E+06 3.78E+06 3.49E+06 3.90E+06 2.79E+06 3.92E+06 Phosphocholine 2.06E+05 2.93E+05 2.56E+05 2.75E+05 2.55E+05 3.11E+05 2,4-Dihydroxypteridine 1.29E+05 1.54E+05 1.43E+05 1.52E+05 1.13E+05 1.77E+05 Cortisol 1.71E+05 1.62E+05 1.63E+05 1.78E+05 1.58E+05 1.68E+05 Pyrocatechol 3.77E+06 3.73E+06 3.73E+06 3.69E+06 3.79E+06 3.59E+06 Cortisol 21-Acetate 9.48E+03 2.71E+04 1.80E+04 3-Methoxytyramine 1.09E+05 9.56E+04 9.43E+04 9.59E+04 7.86E+04 8.24E+04 Pyridoxal 1.06E+06 1.03E+06 7.97E+05 9.27E+05 1.00E+06 8.23E+05 Acetylcholine 5.09E+06 5.18E+06 4.17E+06 6.89E+06 5.57E+06 7.88E+06 Creatine 2.89E+07 2.60E+07 1.57E+07 2.59E+07 2.07E+07 3.05E+07 γ-Glu-Cys 5.83E+05 2.21E+05 4.31E+05 1.87E+05 2.51E+05 3.28E+05 Trp-Glu 2.42E+05 2.10E+05 2.84E+05 3.09E+05 2.19E+05 3.61E+05 Salicylaldehyde 1.15E+06 1.50E+06 3.02E+06 1.62E+06 1.68E+06 1.26E+06 Benzaldehyde 9.58E+06 9.73E+06 1.01E+07 1.04E+07 8.78E+06 1.04E+07 Biliverdin 1.03E+06 5.75E+05 7.05E+05 7.60E+05 6.69E+05 1.02E+06 N,N-diacetyl-O-methylhydroxylamine 1.46E+05 1.48E+05 1.49E+05 1.63E+05 1.35E+05 1.50E+05 Hydroxyquinoline 2.40E+05 2.09E+05 2.26E+05 3.69E+05 1.91E+05 4.10E+05 9-Fluorenol 6.43E+05 5.70E+05 6.54E+05 5.80E+05 6.27E+05 7.19E+05 Gly-Val 4.88E+05 3.30E+05 3.24E+05 4.06E+05 3.66E+05 3.74E+05 2'-O-methyladenosine 8.46E+04 5.05E+04 8.22E+04 4.33E+04 1.03E+05 6.90E+04 Oxypurinol 1.30E+07 9.66E+06 9.86E+06 1.00E+07 9.10E+06 1.12E+07 Carnitine C12:0 2.00E+06 3.08E+06 3.71E+06 2.12E+06 2.54E+06 1.62E+06 Ethylazine 4.42E+04 4.72E+04 4.12E+04 4.99E+04 4.88E+04 4.82E+04 Allopurinol 1.74E+07 2.14E+07 2.16E+07 2.13E+07 2.28E+07 2.64E+07 PC(12:0/12:0) 7.48E+05 7.96E+05 1.53E+06 6.66E+05 7.96E+05 6.88E+05 Methoxyindoleacetic Acid 8.46E+06 7.80E+06 7.78E+06 6.92E+06 7.14E+06 6.80E+06 2-Aminomethylpyrimidine 2.55E+06 2.68E+06 2.80E+06 2.78E+06 2.40E+06 3.01E+06 15-Hydroxy-5,8,11,13-eicosatetraenoic acid 2.11E+06 3.15E+06 3.11E+05 6.39E+05 3.52E+05 5.18E+05 3-Carboxypropyltrimethylammonium 8.62E+05 7.11E+05 8.08E+05 1.03E+06 9.26E+05 1.24E+06 1-methylhistamine 8.70E+04 9.50E+04 9.61E+04 8.98E+04 6.98E+04 9.22E+04 Linoleylethanolamide 1.12E+05 7.83E+04 9.38E+04 4.48E+04 4.56E+04 4.81E+04 Creatine phosphate 4.61E+04 7.32E+04 1.13E+04 7.25E+04 6.37E+04 4.38E+04 PC(16:0/2:0) 5.65E+07 6.11E+07 6.93E+07 3.76E+07 2.36E+07 5.12E+07 Butenoyl-PAF 4.41E+04 6.84E+04 8.12E+04 N-Methyl-α-aminoisobutyric acid 1.57E+06 1.27E+06 1.24E+06 1.60E+06 1.31E+06 1.81E+06 N-Acetylcadaverine 5.28E+04 9.70E+04 9.03E+04 8.56E+04 8.67E+04 8.32E+04 Biotinamide 7.13E+05 5.89E+05 1.12E+06 8.23E+05 7.41E+05 6.58E+05 Hypotaurocyamine 3.95E+06 4.06E+06 4.62E+06 4.69E+06 5.72E+06 4.45E+06 5'-Deoxy-5'-fluoroadenosine 8.76E+04 1.15E+05 1.07E+05 8.68E+04 1.29E+05 9.80E+04 (1R,6S)-6-amino-5-oxocyclohexyl-2-ene-1-carboxylic-acid-ester 1.41E+07 1.61E+07 1.58E+07 1.65E+07 1.31E+07 1.77E+07 N-acetylpyrrolidine 4.20E+05 5.74E+05 3.40E+05 3.44E+05 3.43E+05 4.35E+05 1,3-Dicyclohexylurea 1.62E+07 1.58E+07 1.62E+07 1.61E+07 1.60E+07 1.57E+07 3-Amino-2-naphthoic acid 1.66E+06 1.54E+06 1.54E+06 1.38E+06 1.37E+06 1.36E+06 Heterodendrin 1.59E+06 2.45E+06 2.10E+06 1.82E+06 1.31E+06 1.85E+06 2,4-diacetamino-2,4,6-triphenoxy-D-mannopyranose 3.09E+05 2.85E+05 5.00E+05 4.98E+05 3.81E+05 1.15E+06 2-Mercaptobenzothiazole 8.21E+06 8.96E+06 8.14E+06 8.15E+06 8.88E+06 8.79E+06 20,26-dihydroxyecdysone 1.00E+07 1.67E+07 1.18E+07 9.70E+06 1.38E+07 1.80E+07 S-Adenosyl-L-Methionine 6.74E+05 2.72E+06 1.86E+06 2.68E+06 2.28E+06 5.86E+06 Carnitine C6:0 1.66E+06 1.98E+06 2.57E+06 1.58E+06 2.32E+06 1.38E+06 Leu-Gly 1.01E+05 2.38E+05 2.03E+05 2.30E+05 1.29E+05 1.54E+05 Pregnanetriol 6.55E+05 5.71E+05 7.74E+05 3.99E+05 2.88E+05 4.59E+05 LPC(0:0/22:4) 2.36E+06 3.08E+06 2.99E+06 1.79E+06 1.01E+06 2.79E+06 LPC(0:0/22:5) 9.32E+05 6.84E+05 1.14E+06 5.77E+05 3.14E+05 7.91E+05 LPC(0:0/20:2) 1.03E+06 1.12E+06 2.07E+06 8.56E+05 5.98E+05 1.10E+06 LPC(0:0/20:3) 2.35E+07 2.67E+07 5.38E+07 1.91E+07 1.45E+07 2.38E+07 LPC(20:3/0:0) 2.64E+07 2.83E+07 5.15E+07 2.08E+07 1.40E+07 2.30E+07 LPC(0:0/20:4) 9.54E+07 8.23E+07 1.45E+08 7.37E+07 4.28E+07 9.46E+07 LPC(20:4/0:0) 3.46E+07 2.94E+07 5.11E+07 2.81E+07 1.73E+07 3.67E+07 LPC(0:0/20:5) 1.78E+05 5.92E+04 2.01E+05 1.39E+05 1.10E+05 1.69E+05 LPC(18:0/0:0) 1.43E+05 1.67E+05 2.02E+05 1.72E+05 1.82E+05 1.76E+05 LPC(18:1/0:0) 1.07E+06 1.24E+06 1.55E+06 8.13E+05 5.38E+05 1.11E+06 LPC(18:2/0:0) 1.29E+06 1.59E+06 1.49E+06 9.70E+05 6.34E+05 1.49E+06 LPC(18:3/0:0) 6.14E+05 8.63E+05 8.69E+05 4.81E+05 3.99E+05 5.61E+05 Carnitine C20:1-OH 4.39E+04 8.48E+04 8.20E+04 5.08E+04 5.96E+04 5.39E+04 Carnitine C20:1 2.82E+05 4.14E+05 3.26E+05 2.95E+05 2.59E+05 2.23E+05 Carnitine C18:3-OH 3.72E+04 7.79E+04 1.10E+05 1.00E+05 9.77E+04 6.04E+04 Carnitine C18:0 4.54E+05 8.99E+05 5.11E+05 4.56E+05 6.42E+05 4.53E+05 Carnitine C18:1 1.41E+05 2.57E+05 1.27E+05 1.08E+05 2.29E+05 9.14E+04 Carnitine C18:2 4.06E+06 8.41E+06 3.70E+06 2.91E+06 7.40E+06 2.89E+06 Carnitine C14:1-OH 8.75E+04 2.28E+05 2.54E+05 1.29E+05 1.34E+05 9.83E+04 Carnitine C8:0 5.00E+05 9.52E+05 1.02E+06 6.09E+05 9.34E+05 4.63E+05 Carnitine C5:DC 2.85E+04 5.33E+04 3.48E+04 3.84E+04 4.45E+04 3.88E+04 Carnitine C7:1 Isomer1 3.69E+04 6.77E+03 4.74E+04 2.18E+04 1.63E+04 2.56E+04 Carnitine C7:1 2.96E+04 1.23E+04 3.50E+04 2.41E+04 1.52E+04 2.80E+04 Carnitine ph-C1 3.13E+04 2.86E+04 7.29E+04 2.79E+04 2.71E+04 4.32E+04 Carnitine C4:DC 8.58E+05 9.44E+05 9.93E+05 7.93E+05 5.25E+05 9.12E+05 Carnitine C5:1 7.70E+05 6.69E+05 1.15E+06 8.26E+05 7.65E+05 6.58E+05 Octadecadienamide 9.86E+04 1.36E+05 7.12E+04 5.99E+04 7.30E+04 7.48E+04 MG(20:4/0:0/0:0) 6.52E+04 6.64E+04 1.49E+05 2.91E+04 3.35E+04 1.89E+04 FFA(20:6) 1.37E+05 1.34E+05 9.02E+04 9.71E+04 4.55E+04 8.72E+04 (2S,3S)-butane-2,3-diol 3.26E+05 3.46E+05 3.77E+05 3.35E+05 2.68E+05 3.16E+05 Pantothenol 5.27E+04 1.81E+04 4.34E+04 2.26E+04 4.04E+04 1.17E+04 Diethyl-2-methyl-3-oxosuccinate 8.79E+04 1.12E+05 1.05E+05 9.08E+04 8.66E+04 9.82E+04 N'-Methyl-2-pyridone-5-carboxamide 5.72E+06 5.28E+06 5.08E+06 4.54E+06 4.50E+06 5.49E+06 1-Methyl-hydantoin 2.10E+05 1.24E+05 1.81E+05 1.49E+05 1.60E+05 1.48E+05 L-Phenylephrine 7.68E+05 9.39E+05 9.32E+05 8.28E+05 8.36E+05 7.85E+05 Quinoline-4-carboxylic acid 3.73E+06 4.16E+06 4.87E+06 4.17E+06 3.53E+06 4.24E+06 SDMA 2.15E+06 1.35E+06 1.51E+06 2.30E+06 1.62E+06 2.02E+06 Cis-4-Hydroxy-L-Proline 2.72E+06 2.82E+06 2.32E+06 2.68E+06 2.24E+06 2.86E+06 Methylguanidine 4.93E+05 5.37E+05 4.57E+05 5.00E+05 4.12E+05 6.16E+05 3-Methoxyphenylacetic acid 1.43E+06 1.47E+06 1.46E+06 1.33E+06 1.39E+06 1.44E+06 Isocytosine 4.24E+06 4.42E+06 7.14E+06 6.84E+06 6.94E+06 5.64E+06 Leu-Val 1.40E+05 1.19E+05 1.39E+05 1.24E+05 1.41E+05 1.30E+05 Glu-Met 4.69E+05 2.36E+05 2.95E+05 3.22E+05 3.16E+05 2.63E+05 Met-Glu 1.75E+05 8.60E+04 1.10E+05 1.38E+05 1.21E+05 9.51E+04 Phe-Val 2.70E+04 3.96E+04 3.62E+04 3.81E+04 2.90E+04 5.65E+04 Carnitine C9:1 1.19E+04 2.72E+04 1.35E+04 1.48E+04 1.86E+04 9.42E+03 Carnitine C16:2-OH 1.03E+05 2.20E+05 1.99E+05 1.72E+05 2.40E+05 9.70E+04 Carnitine C14:2 Isomer 1 1.11E+06 2.13E+06 1.57E+06 1.16E+06 1.84E+06 1.09E+06 Carnitine C16:2 Isomer1 5.79E+05 1.11E+06 5.84E+05 5.72E+05 8.76E+05 4.92E+05 Carnitine C18:1-OH 9.98E+05 1.92E+06 2.18E+06 1.62E+06 1.81E+06 1.15E+06 Carnitine C14:2:DC 3.25E+06 5.24E+06 3.82E+06 3.71E+06 4.37E+06 3.43E+06 Carnitine C20:1 Isomer 1 6.93E+06 1.19E+07 7.89E+06 6.63E+06 4.75E+06 8.66E+06 16-Hydroxyestrone 2.01E+05 2.56E+05 2.98E+05 1.71E+05 1.85E+05 1.41E+05 Desoxycortone 1.20E+05 1.29E+05 1.97E+05 1.14E+05 9.44E+04 1.15E+05 Hydroxyprogesterone 2.54E+05 5.58E+05 9.26E+05 3.44E+05 6.57E+05 1.96E+05 11-Dehydrocorticosterone 4.90E+05 6.11E+05 1.23E+06 6.82E+05 4.81E+05 9.87E+05 Caldine 2.84E+05 3.49E+05 2.74E+05 2.51E+05 2.67E+05 3.28E+05 Glu-Glu 1.18E+05 9.06E+04 4.62E+05 1.08E+05 1.07E+05 1.31E+05 Carnitine C16-OH 1.15E+06 1.76E+06 1.99E+06 2.08E+06 2.39E+06 1.28E+06 LPC(O-16:0) 5.45E+06 1.14E+07 9.05E+06 7.39E+06 5.92E+06 8.65E+06 LPC(O-18:1) 1.66E+05 1.34E+05 1.67E+05 1.67E+05 1.08E+05 1.70E+05 N6,N6,N6-Trimethyl-L-lysine 1.72E+06 1.51E+06 1.21E+06 1.25E+06 8.87E+05 1.48E+06 N,N-Dimethylarginine 3.16E+06 3.42E+06 2.40E+06 4.59E+06 3.05E+06 4.27E+06 Carnitine C3:0 9.26E+06 6.91E+06 7.50E+06 7.43E+06 8.31E+06 5.41E+06 Leu-Val-Ser 2.23E+04 6.19E+04 4.30E+04 7.39E+04 5.21E+04 6.82E+04 Gly-Gly-Phe 1.15E+06 1.17E+06 1.13E+06 9.06E+05 8.21E+05 9.52E+05 Glu-Glu-Ile 2.04E+04 2.39E+04 2.79E+04 2.83E+04 2.07E+04 6.52E+04 LPC(0:0/15:0) 8.35E+05 5.38E+05 6.88E+05 6.14E+05 4.02E+05 7.07E+05 Methyldopa 9.21E+05 8.31E+05 1.41E+06 9.67E+05 1.16E+06 8.80E+05 (E)-Guggulsterone 1.44E+05 1.75E+05 2.56E+05 1.53E+05 1.45E+05 1.63E+05 17α-Hydroxy-Pregnenolone 6.03E+04 8.56E+04 1.11E+05 7.99E+04 6.58E+04 9.24E+04 1-Methylinosine 9.22E+04 9.87E+04 1.24E+05 3.89E+04 5.84E+04 8.78E+04 2-O-Methylcytosine 2.77E+05 2.56E+05 3.43E+05 2.57E+05 1.60E+05 2.07E+05 2'-O-Methylguanosine 3.94E+05 4.82E+05 3.70E+05 2.91E+05 1.90E+05 4.27E+05 2-Phenylglycine 4.89E+05 2.77E+05 2.01E+05 3.01E+05 1.61E+05 4.11E+05 3-Amino-2-piperidinone 3.66E+05 2.11E+05 2.75E+05 2.81E+05 1.22E+05 2.75E+05 2,6-Diamino-5-hydroxyhexanoic acid 1.48E+05 2.03E+05 1.26E+05 1.66E+05 1.43E+05 2.39E+05 Acrylamide 6.39E+06 8.44E+06 8.28E+06 7.72E+06 6.30E+06 7.82E+06 Ala-Phe 1.98E+05 3.58E+05 2.91E+05 3.35E+05 2.46E+05 4.36E+05 Cyromazine 2.18E+05 3.42E+05 1.73E+05 2.78E+05 1.02E+05 2.92E+05 Cytidine 5'-diphosphate 3.30E+06 3.86E+06 2.72E+06 2.74E+06 3.35E+06 3.06E+06 Guanidine 2.16E+06 2.64E+06 2.37E+06 2.70E+06 1.93E+06 2.23E+06 Jasmone 6.58E+06 7.83E+06 5.66E+06 5.22E+06 4.79E+06 5.63E+06 Medroxyprogesterone 1.07E+05 7.94E+04 9.76E+04 1.11E+05 1.04E+05 1.01E+05 N1,N8-diacetylspermidine 5.63E+05 4.45E+05 4.79E+05 5.73E+05 4.06E+05 8.72E+05 N4-Acetylcytidine 1.45E+05 1.11E+05 1.64E+05 1.20E+05 5.74E+04 1.48E+05 Nicotinamide riboside chloride 7.99E+04 6.94E+04 1.15E+05 1.72E+05 2.51E+05 2.04E+05 Quinoline-2-carboxylic acid 5.84E+05 3.05E+05 3.60E+05 2.47E+05 1.20E+05 3.35E+05 Proline betaine 6.09E+06 6.72E+06 7.00E+06 5.71E+06 5.09E+06 7.83E+06 Synephrine 8.89E+05 1.09E+06 8.89E+05 9.16E+05 9.35E+05 9.34E+05 Bicine 1.96E+05 9.95E+04 1.78E+05 1.58E+05 1.75E+05 2.35E+05 alpha-Asarone 7.48E+05 7.20E+05 6.63E+05 6.55E+05 6.46E+05 6.65E+05 Cyperotundone 1.30E+05 1.30E+05 1.48E+05 1.65E+05 1.71E+05 1.21E+05 Nootkatone 8.65E+06 1.01E+07 8.27E+06 8.55E+06 9.76E+06 9.90E+06 Zerumbone 4.10E+05 4.14E+05 4.57E+05 4.08E+05 3.83E+05 3.12E+05 Asp-Tyr 1.59E+05 1.22E+05 1.92E+05 1.71E+05 1.46E+05 3.07E+05 DL-Aminopimelic acid 4.77E+05 1.27E+05 2.74E+05 2.19E+05 2.21E+05 2.83E+05 Glu-Leu 6.67E+05 3.76E+05 5.22E+05 4.10E+05 4.03E+05 3.81E+05 Glu-Tyr 2.08E+05 1.37E+05 1.82E+05 1.33E+05 1.24E+05 1.02E+05 Gly-His 5.87E+04 8.42E+04 5.46E+04 6.87E+04 7.59E+04 6.00E+04 Prolyl-Histidine 6.56E+04 3.92E+04 6.29E+04 Ser-Leu 5.97E+04 6.91E+04 8.60E+04 6.82E+04 5.66E+04 1.21E+05 Ser-Phe 3.56E+05 6.02E+05 3.12E+05 3.63E+05 2.85E+05 5.94E+05 Tyr-Leu 6.65E+04 9.80E+04 1.03E+05 1.05E+05 7.72E+04 1.63E+05 2-Hydroxy-2-methylbutanenitrile 4.75E+05 2.21E+05 2.20E+05 3.36E+05 3.92E+05 4.77E+05 Caffeine 6.35E+06 3.57E+06 1.75E+06 1.67E+06 2.59E+06 2.34E+06 N(Alpha)-Acetyl-Epsilon-(2-Propenal)Lysine 7.40E+04 7.72E+04 8.60E+04 7.14E+04 5.64E+04 7.27E+04 Cyclo(Pro-Glu) 8.96E+04 8.35E+04 1.03E+05 7.25E+04 9.12E+04 6.46E+04 Cyclo(Pro-Val) 2.90E+04 3.15E+04 5.88E+04 2.71E+04 3.33E+04 2.62E+04 N-MethyTrans-4-Hydroxy-Proline 1.24E+06 1.87E+04 1.99E+05 5.07E+04 2.92E+05 2.84E+04 Ser-Ile 5.58E+04 6.93E+04 7.14E+04 7.26E+04 6.07E+04 1.12E+05 2'-Deoxyinosine-5'-monophosphate 7.20E+06 6.81E+06 9.39E+06 7.59E+06 5.51E+06 1.19E+07 N6-(2-Hydroxyethyl)adenosine 6.02E+06 4.46E+06 6.29E+06 3.66E+06 2.92E+06 5.22E+06 2-Aminopurine 3.39E+06 4.36E+06 7.14E+06 6.72E+06 8.19E+06 6.57E+06 2-Hydroxyadenosine 6.27E+06 5.13E+06 1.13E+07 6.66E+06 1.11E+07 7.21E+06 N6-(4-hydroxybenzyl)adenine 3.72E+04 4.35E+04 4.42E+04 4.66E+04 5.44E+04 4.77E+04 7-(alpha-D-glucosyl)-N(6)-isopentenyladenine 1.29E+05 6.09E+04 5.70E+04 7.12E+04 8.35E+04 7.44E+04 Ribosyladenosine 1.35E+05 7.48E+04 7.19E+04 8.22E+04 1.59E+05 1.09E+05 S-(Methyl)glutathione 6.27E+05 6.87E+05 1.03E+06 9.35E+05 9.18E+05 8.92E+05 2-Methyl-1-Pyrroline 1.41E+07 1.53E+07 1.39E+07 1.50E+07 1.23E+07 1.81E+07 Hydroxyurea 4.39E+06 4.66E+06 4.83E+06 4.19E+06 3.34E+06 4.83E+06 N6-Isopentenyladenosine 1.66E+06 1.26E+06 1.70E+06 1.02E+06 8.95E+05 1.10E+06 Tetramethylthiuram disulfide 3.70E+05 3.25E+05 1.53E+05 2.75E+05 2.93E+05 2.21E+05 N-Formylglycine 1.40E+07 1.26E+07 1.56E+07 1.11E+07 1.11E+07 1.19E+07 2,3-Diaminopropionic acid 2.71E+04 1.27E+04 2.20E+04 3.22E+04 2,4-Dihydroxypyridine 4.75E+05 6.90E+05 6.69E+05 8.51E+05 1.06E+06 6.85E+05 D-Ornithine 3.17E+06 2.32E+06 1.93E+06 2.47E+06 1.81E+06 3.17E+06 1-Aminocyclohexanecarboxylic acid 9.08E+05 1.01E+06 8.05E+05 9.55E+05 9.26E+05 8.13E+05 DL-2-Methylglutamic acid 7.19E+04 7.93E+04 9.11E+04 9.38E+04 1.02E+05 8.75E+04 Dehydroascorbic acid 8.86E+04 6.25E+04 6.53E+04 7.37E+04 1.20E+05 8.96E+04 Ancitabine 8.90E+05 8.43E+05 1.08E+06 1.18E+06 1.16E+06 1.05E+06 Xanthosine 4.26E+06 2.63E+06 3.37E+06 1.87E+06 3.02E+06 2.73E+06 Estriol 2.36E+04 3.61E+04 3.44E+04 2.42E+04 3.77E+04 2.14E+04 12-Hydroxyoctadecanoic acid 5.88E+04 6.32E+04 1.07E+04 3.11E+04 3.09E+04 2.57E+04 Phenethylamine 4.36E+05 4.42E+05 4.68E+05 5.22E+05 4.07E+05 4.89E+05 Hexaethylene-glycol 1.70E+06 1.72E+06 1.63E+06 1.56E+06 1.66E+06 1.60E+06 N-(3-Hydroxypropyl)phthalimide 2.90E+06 2.64E+06 2.59E+06 2.28E+06 2.35E+06 2.35E+06 3-Aminoquinoline 1.20E+05 1.26E+05 1.06E+05 1.06E+05 1.13E+05 9.90E+04 3,6,9,12,15,18,21-Heptaoxatricosane-21,23-diol 1.66E+06 1.54E+06 1.71E+06 1.51E+06 1.60E+06 1.65E+06 3-(3,4,5-trimethoxyphenyl)propionic acid 7.54E+05 5.94E+05 6.37E+05 6.36E+05 7.75E+05 6.34E+05 2'-hydroxy-4,4',6'-trimethoxychalcone 1.79E+05 1.14E+05 1.92E+05 1.34E+05 1.41E+05 1.11E+05 11-Carbonyl-beta-acetyl-boswellic acid 1.19E+06 1.48E+06 1.49E+06 1.30E+06 1.23E+06 2.07E+06 11beta-Hydroxyprogesterone 8.93E+04 1.72E+05 2.66E+05 1.27E+05 2.11E+05 7.69E+04 Pseudotropine 5.02E+04 5.02E+04 5.42E+04 4.13E+04 4.53E+04 5.58E+04 Caprolactam 8.65E+05 1.20E+06 1.20E+06 1.18E+06 1.16E+06 9.17E+05 2,2-Dihydroxymethyl-1-azabicyclo[2.2.2]octan-3-one 1.04E+06 8.17E+05 1.15E+06 6.90E+05 6.63E+05 8.01E+05 Ethyl hydrogen malonate 5.40E+04 4.60E+04 5.16E+04 6.55E+04 6.78E+04 7.04E+04 Meestrol 5.04E+04 5.20E+04 4.43E+04 6.06E+04 5.79E+04 5.04E+04 2-Amino-4-methylphenol 5.26E+05 5.36E+05 5.83E+05 4.84E+05 5.34E+05 4.72E+05 17-Epistriol 4.16E+04 5.12E+04 5.52E+04 4.22E+04 2.80E+04 4.26E+04 2-Amino-3-phosphonopropionic acid 6.82E+05 6.97E+05 3.62E+05 6.15E+05 6.14E+05 8.69E+05 Inositol 1,3,4-trisphosphate 1.43E+07 1.46E+07 1.59E+07 1.56E+07 1.54E+07 1.71E+07 CAY10577 2.93E+04 2.60E+04 2.68E+04 2.13E+04 2.36E+04 2.04E+04 CCT-018159 9.57E+06 9.04E+06 9.82E+06 1.05E+07 9.09E+06 1.08E+07 N-Acetyl-L-methionine 8.01E+05 7.09E+05 9.43E+05 9.59E+05 7.14E+05 1.03E+06 6-Diazo-5-oxo-L-norleucine 5.55E+04 5.13E+04 4.92E+04 6.17E+04 3.42E+04 5.50E+04 Lys-Pro 2.82E+05 4.09E+05 3.24E+05 3.87E+05 2.54E+05 4.61E+05 Lys-Ser 2.39E+05 2.52E+05 2.14E+05 2.52E+05 2.24E+05 2.63E+05 N(6),N(6)-Dimethyl-L-lysine 2.08E+05 2.52E+05 1.97E+05 1.58E+05 1.51E+05 2.04E+05 Pro-Arg 7.36E+04 1.11E+05 9.81E+04 1.19E+05 6.27E+04 1.73E+05 Glu-His 8.90E+04 7.45E+04 9.78E+04 7.76E+04 6.75E+04 1.07E+05 Lys-Val 1.76E+05 1.66E+05 1.58E+05 1.50E+05 1.44E+05 2.04E+05 Triethanolamine 3.74E+05 9.16E+05 5.30E+05 4.62E+05 5.15E+05 5.71E+05 γ-Glu-Lys 2.90E+06 1.48E+06 2.01E+06 2.09E+06 2.45E+06 1.71E+06 (R)-(-)-1-Amino-2-propanol 4.87E+05 6.13E+05 4.67E+05 5.54E+05 4.93E+05 6.00E+05 O-Acetyl-L-homoserine 4.05E+05 2.68E+05 4.06E+05 3.54E+05 3.29E+05 3.48E+05 Pro-Ser 2.14E+06 1.57E+06 2.05E+06 2.65E+06 1.67E+06 2.10E+06 4-Aminomethylpyrimidine 2.47E+05 2.24E+05 2.40E+05 2.56E+05 2.12E+05 3.03E+05 3-Guanidinopropionic acid 5.27E+05 5.44E+05 4.94E+05 His-Pro 2.13E+04 3.19E+04 4.00E+04 5.51E+04 1.42E+04 5.43E+04 Phe-Asp 5.32E+05 3.95E+05 6.26E+05 5.53E+05 4.90E+05 9.38E+05 Pro-Ala 1.05E+05 8.56E+04 1.15E+05 1.63E+05 9.93E+04 1.68E+05 N-acetyl-D-Lactosamine 9.41E+04 2.28E+05 1.09E+05 1.96E+05 1.81E+05 3.17E+05 Ala-Pro 2.77E+05 2.29E+05 1.88E+05 3.62E+05 2.17E+05 5.71E+05 Ser-Pro 1.41E+06 1.05E+06 1.31E+06 1.84E+06 1.03E+06 1.54E+06 6-aminonicotinamide 5.74E+05 5.39E+05 6.61E+05 3.77E+05 4.33E+05 4.85E+05 Asp-Arg 4.43E+04 6.81E+04 7.74E+04 8.86E+04 5.41E+04 8.58E+04 Lys-Ile 6.88E+04 1.23E+05 1.17E+05 1.28E+05 1.36E+05 1.01E+05 N1-Acetylspermidine 3.68E+05 3.22E+05 3.00E+05 2.33E+05 2.38E+05 2.68E+05 Ectoine 1.45E+05 1.75E+05 1.23E+05 1.33E+05 1.37E+05 1.41E+05 Ser-Val 1.39E+06 1.14E+06 1.53E+06 1.16E+06 1.43E+06 1.19E+06 Phe-Lys 3.37E+04 4.00E+04 3.23E+04 4.37E+04 3.00E+04 7.57E+04 Lys-Met 2.41E+05 1.67E+05 1.95E+05 1.91E+05 1.69E+05 1.82E+05 Ala-Val 9.39E+04 2.43E+05 2.49E+05 9.47E+04 1.18E+05 1.03E+05 Tyr-Ser 4.44E+04 4.93E+04 5.28E+04 5.27E+04 4.25E+04 8.63E+04 Alternaria 1.23E+05 2.17E+05 2.10E+05 1.85E+05 2.52E+05 1.75E+05 Tyr-Asn 7.22E+04 7.09E+04 1.27E+05 1.26E+05 1.01E+05 1.81E+05 Ile-Gln 4.93E+04 8.97E+04 8.75E+04 8.04E+04 8.27E+04 9.97E+04 Ile-Ser 9.52E+04 1.14E+05 1.22E+05 1.58E+05 1.36E+05 1.98E+05 Tyr-Asp 1.52E+05 2.19E+05 2.69E+05 3.65E+05 2.58E+05 5.18E+05 Tyr-Glu 2.01E+05 2.82E+05 2.88E+05 3.02E+05 1.85E+05 3.82E+05 Val-Glu 5.64E+04 6.56E+04 8.62E+04 9.65E+04 3.08E+04 9.94E+04 Pro-Met 5.67E+05 6.05E+05 6.41E+05 6.53E+05 4.87E+05 6.80E+05 2,2'-Cyclouridine 1.05E+05 2.00E+05 2.49E+05 1.98E+05 3.24E+05 2.76E+05 3-aminobenzamide 7.01E+06 8.41E+06 8.54E+06 8.32E+06 9.72E+06 1.13E+07 2'-Deoxyadenosine 8.72E+04 1.11E+05 8.92E+04 9.93E+04 8.30E+04 1.04E+05 3-pyridine-aldoxime 2.47E+06 1.50E+06 1.29E+06 2.00E+06 2.12E+06 2.15E+06 Cyclo(Ala-Pro) 6.87E+04 3.02E+04 3.51E+04 6.11E+04 4.80E+04 4.58E+04 Tyr-Pro 2.39E+05 3.34E+05 3.61E+05 5.18E+05 3.31E+05 6.79E+05 Phe-Gly 6.78E+05 1.25E+06 1.46E+06 1.19E+06 1.09E+06 3.11E+06 Tyr-Tyr 5.10E+04 5.12E+04 5.17E+04 4.80E+04 3.20E+04 8.59E+04 Tetraethylene-glycol 1.83E+06 7.72E+05 1.78E+06 8.43E+05 1.65E+06 1.75E+06 Trp-Asp 1.05E+05 1.42E+05 1.53E+05 1.34E+05 1.05E+05 1.42E+05 Leu-Met 8.42E+03 1.55E+04 1.32E+04 1.38E+04 1.17E+04 1.38E+04 cyclo(pro-pro) 1.00E+05 1.55E+05 1.38E+05 5.02E+04 6.07E+04 4.83E+04 Phe-Tyr 1.31E+05 1.27E+05 1.05E+05 7.28E+04 9.38E+04 1.03E+05 Ile-Ile 5.86E+04 4.68E+04 6.87E+04 6.01E+04 5.31E+04 6.18E+04 Heptethylene-glycol 1.02E+06 1.10E+06 1.12E+06 1.07E+06 1.03E+06 1.04E+06 Trp-Pro 9.66E+04 1.00E+05 1.28E+05 1.70E+05 9.93E+04 2.60E+05 Tyr-Thr 1.12E+05 7.05E+04 7.90E+04 5.35E+04 5.78E+04 9.95E+04 Asn-Met 3.23E+05 3.58E+05 2.14E+05 1.14E+05 1.51E+05 3.00E+05 Gly-Tyr 6.64E+05 1.17E+06 1.53E+06 1.68E+06 1.13E+06 3.22E+06 Imidazole-4-methanol 5.86E+07 4.99E+07 5.98E+07 6.24E+07 5.53E+07 5.41E+07 2-Amino-2-methyl-1,3-propanediol 4.69E+05 4.32E+05 4.02E+05 2.51E+05 2.81E+05 5.12E+05 4-Amino-3-hydroxybutyric acid 6.16E+05 1.42E+06 7.02E+05 7.22E+05 1.02E+06 8.80E+05 Cycloleucine 3.95E+07 4.79E+07 4.47E+07 3.92E+07 3.94E+07 4.90E+07 Raphanusamic acid 1.61E+05 1.28E+05 1.91E+05 2.40E+05 1.85E+05 2.16E+05 2-(Acetylamino)-2-deoxy-A-D-glucopyranose 1.60E+05 1.74E+05 3.04E+05 1.45E+05 1.19E+05 2.34E+05 Ala-His 1.23E+05 1.80E+05 1.63E+05 1.92E+05 1.40E+05 1.96E+05 Pro-Asn 2.10E+05 1.94E+05 2.24E+05 2.86E+05 1.86E+05 3.76E+05 Phe-Ser 1.21E+05 1.94E+05 1.17E+05 1.35E+05 1.00E+05 2.26E+05 Phe-Ala 4.80E+04 7.11E+04 7.18E+04 8.56E+04 9.18E+04 1.23E+05 Tyr-Gly 4.66E+05 7.87E+05 1.02E+06 1.14E+06 7.85E+05 2.06E+06 Lys-Thr 8.54E+04 5.42E+04 7.02E+04 Lys-Asn 1.70E+05 1.42E+05 1.86E+05 1.82E+05 1.25E+05 2.14E+05 Asp-Glu 1.88E+05 1.62E+05 2.03E+05 2.15E+05 1.94E+05 3.15E+05 Phe-Hyp 6.43E+05 7.58E+05 7.06E+05 7.25E+05 6.29E+05 8.76E+05 Phe-Ile 2.88E+04 3.15E+04 3.90E+04 3.91E+04 2.90E+04 4.29E+04 2-Aminoadenosine 1.48E+06 1.39E+06 1.50E+06 1.14E+06 1.11E+06 1.27E+06 Lys-Phe 4.42E+04 8.22E+04 5.61E+04 1.02E+05 6.89E+04 1.01E+05 Met-Phe 1.88E+04 1.91E+04 1.84E+04 2.35E+04 1.70E+04 3.05E+04 Phe-His 4.81E+04 6.96E+04 1.18E+05 1.07E+05 3.37E+04 7.03E+04 Tyr-His 1.39E+05 1.31E+05 1.73E+05 1.47E+05 1.07E+05 2.53E+05 His-Tyr 1.48E+05 1.73E+05 1.48E+05 1.74E+05 8.17E+04 2.21E+05 20beta-Dihydroprogesterone 9.25E+05 7.82E+05 9.83E+05 6.15E+05 6.66E+05 5.26E+05 7-Amino-4-methylcoumarin 3.57E+05 3.91E+05 3.30E+05 3.75E+05 3.98E+05 3.36E+05 Methyl caffeate 1.81E+05 1.74E+05 2.54E+05 1.66E+05 1.90E+05 2.73E+05 Quinmerac 2.50E+06 2.46E+06 2.23E+06 2.20E+06 2.37E+06 2.25E+06 4-Hydroxyquinoline 1.36E+04 1.48E+04 1.61E+04 Ensulizole 1.08E+04 2.00E+03 9.24E+03 2.63E+03 7.10E+03 4.79E+03 2-Chloro-5-nitro-N-phenylbenzamide 2.20E+04 3.30E+04 1.91E+04 1.61E+04 1.56E+04 2.26E+04 3-Bromotyrosine 2.52E+04 3.31E+04 2.44E+04 2.28E+04 1.42E+04 2.37E+04 Ammelide 4.98E+04 3.72E+04 5.09E+04 5.72E+04 5.40E+04 6.38E+04 2-Thio-PAF 2.78E+07 3.02E+07 3.97E+07 2.06E+07 1.42E+07 2.70E+07 (2E,4E)-6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid 1.87E+04 3.11E+04 1.69E+04 3.35E+04 2.90E+04 3.30E+04 Hydromorphone 1.61E+05 3.27E+05 1.06E+05 1.26E+05 8.79E+05 8.48E+04 2-Hexadecanoylthio-1-ethylphosphorylcholine 8.35E+05 5.38E+05 6.88E+05 6.14E+05 4.02E+05 7.07E+05 LPC(22:3) 3.32E+04 4.46E+04 6.96E+04 3.20E+04 3.37E+04 3.88E+04 PAF C-18:1 8.27E+04 9.13E+04 1.01E+05 8.66E+04 6.17E+04 9.80E+04 LPC(0:0/22:6) 6.50E+06 4.91E+06 9.67E+06 5.70E+06 3.84E+06 6.76E+06 MG(0:0/20:4/0:0) 1.12E+05 1.08E+05 2.21E+05 5.73E+04 5.74E+04 2.84E+04 PC(O-1:0/O-16:0) 2.85E+07 2.76E+07 3.61E+07 2.85E+07 2.03E+07 3.03E+07 Testosterone 1.59E+05 1.50E+05 1.46E+05 1.36E+05 1.58E+05 1.47E+05 Cortisone 4.44E+06 3.04E+06 4.88E+06 4.26E+06 2.98E+06 5.56E+06 Piperine 1.83E+05 3.52E+05 1.15E+05 1.32E+05 9.31E+05 1.08E+05 gamma-Glu-Phe 9.58E+05 4.91E+05 6.94E+05 6.23E+05 5.51E+05 5.13E+05 n-Oleoylethanolamine 5.43E+05 2.34E+05 2.65E+05 1.78E+05 2.20E+05 1.55E+05 Carnitine C4-OH 8.32E+06 8.96E+06 1.23E+07 8.34E+06 1.21E+07 7.18E+06 4-Oxoretinoic acid 1.79E+05 1.69E+05 1.59E+05 1.75E+05 1.60E+05 1.74E+05 Carnitine C14:0 4.54E+06 6.42E+06 6.14E+06 5.34E+06 6.29E+06 4.65E+06 FFA(12:1) 2.50E+05 2.63E+05 2.46E+05 2.58E+05 2.46E+05 2.42E+05 2-Hydroxy-4-(methylthio)butyric acid 3.58E+05 2.95E+05 3.98E+05 4.17E+05 2.70E+05 4.29E+05 Codeine-6-glucuronide 1.31E+05 1.03E+05 1.36E+05 1.44E+05 1.58E+05 1.44E+05 Cytochalasin B 3.43E+06 2.99E+06 4.09E+06 3.11E+06 1.56E+06 4.27E+06 Ergocornine 8.67E+05 1.31E+06 1.52E+06 1.02E+06 9.76E+05 8.92E+05 Ergocristine 1.41E+05 1.30E+05 3.85E+05 1.94E+05 1.32E+05 1.54E+05 Ergosine 3.65E+06 4.88E+06 5.86E+06 3.57E+06 2.99E+06 5.21E+06 Galantamine 1.29E+07 1.55E+07 1.83E+07 2.21E+07 2.52E+07 1.85E+07 Actarit 5.26E+05 5.23E+04 2.72E+05 3.48E+04 5.64E+05 3.94E+05 2,6-Di-tert-butylhydroquinone 1.01E+06 1.10E+06 1.05E+06 8.12E+05 6.98E+05 8.04E+05 CP 47,497-C8-homolog C-8-hydroxy metabolite 2.65E+05 2.90E+05 4.68E+05 2.22E+05 1.31E+05 1.91E+05 L-Phenylalaninol 4.49E+06 4.49E+06 4.51E+06 4.42E+06 4.48E+06 4.45E+06 2-Hydroxyfluorene 1.48E+06 1.82E+06 2.13E+06 1.77E+06 1.93E+06 2.05E+06 2-Phenylpropanal 3.76E+06 3.74E+06 3.69E+06 3.56E+06 3.66E+06 3.65E+06 4,5-Dihydroxynaphthalene-2,7-disulfonic acid 4.04E+06 3.96E+06 2.65E+06 2.63E+06 3.50E+06 3.79E+06 4,5-Phenanthrenedicarboxylic acid 5.76E+06 6.13E+06 5.62E+06 4.96E+06 4.55E+06 6.01E+06 N-Isopropylterephthalamic acid 5.37E+05 4.86E+05 6.09E+05 4.67E+05 3.14E+05 5.76E+05 4-[[4-(4-Chlorophenyl)-2-thiazolyl]amino]phenol 2.75E+06 2.72E+06 3.42E+06 2.53E+06 2.24E+06 3.71E+06 Arsanilic acid 1.41E+05 1.16E+05 2.28E+05 1.47E+05 1.37E+05 1.33E+05 4-Hydroxybenzenesulfonic acid 5.58E+05 3.08E+05 6.27E+05 7.05E+05 4.66E+05 1.04E+06 5,5'-Dehydrodivanillate 5.89E+06 5.93E+06 4.84E+06 4.25E+06 3.15E+06 5.76E+06 Amarogentin 9.57E+04 1.15E+05 1.28E+05 1.05E+05 1.24E+05 1.47E+05 2,2-Diphenylglycine 1.78E+05 1.43E+05 1.82E+05 1.71E+05 2.01E+05 1.31E+05 3-(dimethylamino)-N-(3-(4-hydroxybenzamido)-4-methylphenyl)benzamide 5.82E+04 2.69E+04 4.92E+04 4.19E+04 3.51E+04 3.40E+04 Buprenorphine 1.48E+06 1.83E+06 1.50E+06 1.33E+06 1.19E+06 1.35E+06 Candesartan cilexetil 3.11E+05 2.75E+05 4.87E+05 2.39E+05 2.99E+05 1.80E+05 Chlordiazepoxide 2.76E+05 2.29E+05 2.77E+05 2.56E+05 2.84E+05 2.60E+05 Curcumin II 6.99E+05 5.86E+05 5.27E+05 4.64E+05 5.14E+05 4.94E+05 Norcyclobenzaprine 1.33E+06 9.22E+05 1.76E+06 1.09E+06 1.05E+06 1.02E+06 Dihydroconiferyl alcohol 2.74E+04 1.97E+04 1.21E+04 2.03E+04 1.47E+04 1.62E+04 Dimethyl phthalate 1.82E+06 1.69E+06 1.29E+06 1.58E+06 1.98E+06 1.58E+06 Dipentyl phthalate 1.50E+06 1.58E+06 1.62E+06 1.02E+06 1.34E+06 7.80E+05 Emodin 6.44E+06 5.67E+06 2.55E+06 Enilconazole 3.22E+05 3.23E+05 4.94E+05 4.57E+05 9.85E+05 4.33E+05 Epinephrine bitartrate 6.55E+05 4.04E+05 6.41E+05 6.37E+05 1.09E+06 7.70E+05 Esprocarb 6.02E+05 3.27E+05 4.89E+05 3.92E+05 1.04E+05 3.53E+05 Fenhexamid 1.42E+07 8.34E+06 1.70E+07 1.31E+07 1.24E+07 1.46E+07 Fexofenadine 4.67E+06 4.18E+06 3.40E+06 1.81E+06 2.35E+06 1.48E+06 Gliclazide 3.44E+05 2.68E+05 3.36E+05 2.56E+05 1.24E+05 3.23E+05 Hexylresorcinol 1.36E+06 1.20E+06 6.64E+05 6.85E+05 7.57E+05 6.81E+05 Hydramethylnon 1.72E+05 2.11E+05 2.21E+05 1.49E+05 1.48E+05 1.43E+05 Hypericin 6.57E+03 6.34E+03 8.56E+03 4.96E+03 5.92E+03 6.14E+03 Isocarboxazid 7.43E+02 3.64E+06 6.17E+03 Lidocaine 1.49E+04 1.63E+04 1.37E+04 1.53E+04 1.63E+04 1.53E+04 Losartan Carboxaldehyde 3.67E+04 3.33E+04 3.22E+04 3.60E+04 2.43E+04 3.20E+04 Lucidin 1.26E+07 1.17E+07 1.14E+07 1.25E+07 1.41E+07 1.04E+07 Menadiol disulfate 2.85E+05 2.37E+05 2.89E+05 2.56E+05 1.95E+05 2.52E+05 (S)-3-(2-Methylphenoxy)propane-1,2-diol 1.07E+06 8.16E+05 5.57E+04 7.17E+04 6.03E+04 9.19E+04 Metaxalone 5.39E+04 4.51E+04 3.77E+04 5.70E+04 3.95E+04 7.02E+04 1400W dihydrochloride 2.83E+05 3.16E+05 2.99E+05 2.12E+05 2.48E+05 1.51E+05 N-(2-Cyclohexyloxy-4-nitrophenyl)methanesulfonamide 2.11E+05 2.84E+05 2.93E+05 1.93E+05 2.38E+05 3.59E+05 N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-3,4-dimethoxyphenyl)prop-2-enimidic acid 2.82E+04 2.62E+04 3.23E+04 1.34E+04 1.82E+04 1.56E+04 N-(2,2,2-Trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide 5.79E+04 5.57E+04 6.36E+04 5.97E+04 4.46E+04 6.38E+04 N-Cyclopropyl-11-(2-hexyl-5-hydroxyphenoxy)undecanamide 6.88E+05 5.63E+05 1.12E+06 6.14E+05 3.91E+05 6.23E+05 Nitazoxanide 1.27E+06 1.95E+06 1.55E+06 1.14E+06 1.02E+06 1.82E+06 Oxadiazon 7.93E+05 6.60E+05 9.82E+05 8.00E+05 1.24E+06 6.80E+05 Pyributicarb 8.22E+04 8.32E+04 6.86E+04 7.17E+04 8.85E+04 3.94E+04 Telmisartan 3.19E+05 3.25E+05 3.24E+05 3.23E+05 3.48E+05 3.17E+05 Triphenylphosphine oxide 1.82E+07 1.78E+07 1.92E+07 1.84E+07 1.79E+07 1.93E+07 3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl ester 2.46E+05 2.12E+05 2.16E+05 2.18E+05 2.34E+05 2.31E+05 2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol 1.72E+04 1.67E+04 2.45E+04 2.57E+04 1.73E+04 2.63E+04 Pinoresinol 1.50E+05 1.54E+05 1.72E+05 1.48E+05 1.57E+05 1.15E+05 Podofilox 1.98E+05 1.78E+05 2.26E+05 1.63E+05 2.06E+05 2.01E+05 Theophylline 3.57E+05 3.63E+05 1.76E+05 9.77E+04 1.62E+05 1.27E+05 (20S)-17,20-dihydroxypregn-4-en-3-one 4.06E+05 6.17E+05 7.87E+05 5.80E+05 4.05E+05 6.98E+05 Dihydroroseoside 2.41E+04 3.22E+04 4.43E+04 2.01E+04 1.34E+04 2.21E+04 [6]-Gingerdiol 3,5-diacetate 3.36E+05 2.88E+05 2.73E+05 1.88E+05 1.69E+05 2.77E+05 PtdIns-(4,5)-P2 (1,2-dihexanoyl) 2.68E+05 3.11E+05 4.98E+05 6.02E+05 7.28E+05 3.80E+05 PtdIns-(4)-P1 (1,2-dihexanoyl) 1.84E+04 1.75E+04 5.03E+04 2.88E+04 4.38E+04 2.49E+04 1-(11Z-eicosenoyl)-glycero-3-phosphate 1.04E+07 9.58E+06 1.26E+07 1.07E+07 8.35E+06 1.18E+07 1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phosphate 3.07E+06 1.18E+06 2.99E+06 1.36E+06 2.54E+06 1.24E+06 Tacalcitol 2.57E+05 1.06E+05 2.58E+05 9.49E+04 7.04E+04 1.02E+05 9-oxo-15R-hydroxy-16,16-dimethyl-5Z,13E-prostadienoic acid 8.09E+05 1.01E+06 9.54E+05 7.96E+05 5.54E+05 5.84E+05 11-Epimisoprostol 8.55E+04 1.43E+05 1.08E+05 3.33E+05 3.17E+05 4.54E+04 12S-HHT 1.21E+04 1.46E+04 1.34E+04 1.45E+04 1.28E+04 1.24E+04 14,15-DiHETrE 3.53E+05 3.59E+05 5.68E+05 3.40E+05 2.41E+05 4.15E+05 16-Glucuronide-estriol 2.89E+04 2.32E+04 1.38E+04 8.57E+03 8.50E+03 9.07E+03 19-Hydroxytestosterone 7.59E+05 2.03E+06 1.66E+06 2.91E+05 4.80E+05 3.15E+05 1-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 6.81E+04 4.59E+04 6.90E+04 5.56E+04 3.83E+04 1.17E+04 1-Heptadecanoyl-sn-glycero-3-phosphoethanolamine 2.27E+05 3.02E+05 1.52E+05 1.53E+05 1.90E+05 1.72E+05 1-Heptadecene-4,6-diyne-3,9-diol 1.05E+05 1.15E+05 8.52E+04 1.06E+05 9.75E+04 1.03E+05 3-(Hexadecyloxy)-2-hydroxypropyl dihydrogen phosphate 2.87E+06 3.56E+06 3.97E+06 3.10E+06 2.45E+06 3.22E+06 1-O-Hexadecyl-sn-glycero-3-phosphocholine 5.35E+06 1.07E+07 8.38E+06 7.71E+06 6.10E+06 8.65E+06 1-Octadecyl Lysophosphatidic Acid 5.47E+05 6.46E+05 4.37E+05 4.90E+05 4.46E+05 4.64E+05 21-Hydroxy-5b-pregnane-3,11,20-trione 7.66E+04 8.90E+04 2.00E+05 8.92E+04 9.59E+04 8.75E+04 2-Methoxyestradiol 1.37E+06 1.25E+06 1.22E+06 1.26E+06 1.19E+06 1.19E+06 3,7,11,15,23-Pentaoxolanost-8-en-26-oic acid 3.53E+06 2.11E+06 3.23E+06 3.68E+06 2.74E+06 3.56E+06 3,7-Dihydroxy-12-oxocholanoic acid 2.88E+04 2.34E+04 2.12E+04 2.81E+04 1.98E+04 1.62E+04 3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide 1.44E+05 6.25E+04 5.71E+04 6.53E+04 7.23E+04 6.90E+04 5,8-Epoxy-5,8-dihydro-10'-apo-b,y-carotene-3,10'-diol 4.83E+05 4.03E+05 4.06E+05 3.89E+05 3.41E+05 3.31E+05 6b-Angeloyl-3b,8b,9b-trihydroxy-7(11)-eremophilen-12,8-olide 1.45E+05 1.14E+05 1.44E+05 7.21E+04 6.72E+04 7.26E+04 7-[(1R,2R,3S,5S)-2-[(4S)-4-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybut-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid 1.79E+04 2.89E+04 4.04E+04 2.18E+04 1.86E+04 1.69E+04 7alpha-Hydroxy-3-oxo-4-cholestenoic acid 4.66E+04 4.24E+04 3.32E+04 3.42E+04 4.07E+04 2.92E+04 7alpha-Hydroxy-4-cholesten-3-one 9.08E+05 8.85E+05 6.90E+05 6.06E+05 5.33E+05 6.11E+05 8-Geranylumbelliferone 5.43E+04 5.63E+04 7.34E+04 2.96E+04 2.98E+04 2.94E+04 9S,11R-dihydroxy-15-oxo-5Z-prostaenoic acid-cyclo[8S,12R] 7.53E+05 4.32E+05 1.45E+06 1.13E+06 1.21E+06 1.09E+06 Alfaxalone 1.71E+05 2.25E+05 4.99E+05 1.56E+05 2.10E+05 1.32E+05 Allopregnane-3alpha,20alpha-diol 3.18E+05 1.53E+05 1.18E+05 1.84E+05 1.68E+05 1.65E+05 Asperagenin 1.36E+05 4.51E+04 1.31E+05 6.88E+04 4.10E+04 4.56E+04 Boviquinone 4 3.51E+05 3.54E+05 5.89E+05 3.18E+05 1.99E+05 2.71E+05 Bufalin 2.63E+04 2.23E+04 2.58E+04 2.27E+04 1.93E+04 2.26E+04 Calusterone 9.37E+04 9.35E+04 1.52E+05 9.08E+04 4.32E+04 7.21E+04 Canrenone 2.29E+05 2.70E+05 2.70E+05 2.56E+05 2.82E+05 2.50E+05 Chamissonolide 4.56E+04 6.97E+03 3.94E+04 3.11E+04 3.90E+04 Ciprostene 7.27E+05 1.16E+06 9.01E+05 8.55E+05 5.06E+05 6.06E+05 cis-Zeatin-O-glucoside 1.30E+04 1.40E+04 1.51E+04 1.47E+04 1.25E+04 1.60E+04 Cynaropicrin 3.12E+05 2.83E+05 2.29E+05 3.65E+05 3.44E+05 4.94E+05 delta-Tocotrienol 1.11E+04 2.41E+04 4.25E+04 4.47E+04 8.09E+03 4.64E+04 1-Palmitoleoyl-2-palmitoyl-sn-glycerol 2.72E+04 1.39E+04 2.28E+04 1.07E+04 8.23E+03 5.31E+03 1,2-Dioleoyl-sn-glycerol 1.40E+06 8.74E+05 1.26E+06 8.24E+05 8.75E+05 8.46E+05 C-12 NBD-dihydro-Ceramide 1.22E+05 1.33E+05 1.82E+05 1.29E+05 1.39E+05 1.51E+05 Epiandrosterone sulfate 1.55E+06 1.31E+06 2.14E+06 9.64E+05 8.78E+05 1.12E+06 Eplerenone 1.25E+04 3.06E+04 3.71E+04 5.35E+04 2.79E+04 6.01E+04 16alpha,17beta-Estriol 17-(beta-D-glucuronide) 1.43E+04 2.90E+04 2.16E+04 1.11E+04 8.17E+03 1.42E+04 9-Pahsa 8.60E+04 7.92E+04 9.76E+04 5.25E+04 7.76E+04 4.48E+04 Desferal-iron(III) 1.08E+05 3.16E+05 3.16E+05 2.08E+05 1.61E+05 2.06E+05 Gibberellin A12 2.89E+05 2.96E+05 3.62E+05 2.87E+05 2.39E+05 3.41E+05 Glycerophospho-N-Palmitoyl Ethanolamine 8.91E+05 6.76E+05 1.39E+06 1.05E+06 7.01E+05 1.44E+06 Heneicosanoic acid 8.22E+04 7.36E+04 6.31E+04 4.88E+04 4.22E+04 4.94E+04 Isopentenyl pyrophosphate 2.72E+07 3.19E+07 2.69E+07 3.91E+07 4.55E+07 2.00E+07 Isotretinoin 1.58E+06 9.81E+05 1.69E+06 8.07E+05 7.97E+05 8.02E+05 Lauroyl diethanolamide 3.07E+06 3.70E+06 4.31E+06 3.61E+06 4.14E+06 3.86E+06 11alpha,15S-Dihydroxy-17S,20-dimethyl-9-oxoprosta-2E,13E-dien-1-oic acid 1.41E+05 8.52E+04 1.81E+05 2.38E+05 2.73E+05 1.88E+05 L-Octanoylcarnitine 5.69E+05 1.06E+06 1.19E+06 8.53E+05 1.05E+06 4.73E+05 Lubiprostone 2.63E+05 1.41E+05 1.07E+05 1.99E+05 2.34E+05 1.84E+05 Lucidone B 3.61E+05 2.94E+05 3.02E+05 1.71E+05 1.49E+05 1.39E+05 1-Erucoylglycerol-3-phosphate 7.31E+06 9.74E+06 8.74E+06 8.72E+06 6.65E+06 8.71E+06 1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine 1.51E+05 2.98E+05 2.47E+05 1.76E+05 1.18E+05 3.10E+05 1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine 1.09E+06 9.80E+05 8.36E+05 6.88E+05 3.71E+05 7.31E+05 1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine 1.60E+05 1.72E+05 2.19E+05 1.34E+05 1.28E+05 1.47E+05 LPE(0:0/22:6) 5.51E+06 4.14E+06 7.99E+06 5.01E+06 1.89E+06 4.91E+06 5,8,11-Eicosatrienoic acid 4.65E+05 3.87E+05 4.91E+05 3.18E+05 2.56E+05 2.53E+05 Medroxyprogesterone acetate 5.10E+05 3.79E+05 3.69E+05 4.74E+05 2.45E+05 4.59E+05 [(2R,3R,4R,5R,6S,7S,8R,13R,14R,16S,17S,18R)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate 1.09E+04 2.73E+04 2.44E+04 5.63E+04 5.54E+04 4.32E+04 (2r)-2,3-Dihydroxypropyl Dodecanoate 3.66E+05 5.77E+05 5.16E+05 3.96E+05 4.10E+05 3.55E+05 Mupirocin 1.91E+05 6.85E+04 1.82E+05 1.84E+05 1.11E+05 2.61E+05 Octyl-Beta-D-Glucopyranoside 6.62E+05 4.05E+05 4.87E+05 5.69E+05 6.03E+05 5.05E+05 oleoyl-L-carnitine 1.51E+05 2.63E+05 1.31E+05 9.96E+04 2.40E+05 1.21E+05 1-Vaccenoyl-2-oleoyl-sn-glycero-3-phosphate 4.69E+03 6.30E+03 2.25E+04 2.66E+03 2.08E+03 7.42E+03 1-(9Z-octadecenoyl)-2-(9Z-tetradecenoyl)-glycero-3-phosphate 2.98E+05 1.26E+04 7.04E+04 3.59E+04 3.44E+04 3.85E+04 1-(9Z,12Z-octadecadienoyl)-2-pentadecanoyl-glycero-3-phosphate 1.19E+05 1.15E+05 1.97E+05 1.19E+05 9.84E+04 1.40E+05 [(2R)-2-dodecanoyloxy-3-phosphonooxypropyl] 19-methylicosanoate 1.29E+04 1.55E+04 1.19E+04 1.33E+04 9.70E+03 8.78E+03 [(2R)-2-decanoyloxy-3-phosphonooxypropyl] 20-methylhenicosanoate 8.14E+05 5.84E+05 7.41E+05 5.67E+05 3.73E+05 4.83E+05 Pov-pc 7.26E+05 5.45E+05 9.03E+05 1.04E+06 1.23E+06 1.42E+06 1-(9Z-nonadecenoyl)-glycero-3-phosphoethanolamine 2.27E+06 7.89E+05 9.20E+06 6.83E+06 4.33E+06 9.10E+06 [(1S,2R,6S,7R,9R,11R,12S,13S,14S,16R,17S)-16-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6,12-dihydroxy-2,17-dimethyl-3-oxo-8,15-dioxahexacyclo[9.8.0.02,7.07,9.012,17.014,16]nonadec-4-en-13-yl] acetate 2.59E+04 2.99E+04 3.63E+04 4.06E+04 4.25E+04 5.88E+04 Pregnenolone 3.50E+06 3.38E+06 5.45E+06 3.61E+06 3.63E+06 5.28E+06 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine 6.71E+05 6.19E+05 8.12E+05 6.38E+05 4.12E+05 7.01E+05 Psychosine 1.17E+05 1.13E+05 1.03E+05 8.77E+04 1.14E+05 1.21E+05 Retinol acetate 4.00E+06 3.73E+06 3.39E+06 3.27E+06 2.60E+06 2.67E+06 2-Dodecyl-3-methylbutanedioic acid 2.30E+05 1.71E+05 1.65E+05 1.31E+05 1.22E+05 1.30E+05 Sulfoglycolithocholate(2-) 3.20E+05 2.22E+05 3.79E+05 2.12E+05 2.22E+05 2.08E+05 Tetracosapentaenoic acid (24:5n-3) 1.27E+04 7.39E+03 1.40E+04 8.01E+03 7.05E+03 4.79E+03 Traumatic acid 1.07E+06 1.38E+06 1.57E+06 1.36E+06 1.45E+06 1.44E+06 3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholestan-26-oic acid 2.06E+05 1.47E+05 2.74E+05 2.12E+05 1.43E+05 2.69E+05 Triptophenolide 1.60E+06 1.26E+06 6.54E+05 1.85E+06 1.82E+06 1.62E+06 3,4-Dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-ol 4.37E+05 4.06E+05 3.70E+05 3.29E+05 3.03E+05 3.13E+05 3'-O-Methyladenosine 4.76E+06 5.92E+06 5.80E+06 6.31E+06 7.38E+06 6.64E+06 3'-O-Methylguanosine 1.36E+07 1.47E+07 1.99E+07 1.63E+07 2.50E+07 1.78E+07 CDP-ethanolamine 1.83E+04 2.75E+04 2.08E+04 4.01E+04 3.55E+04 2.99E+04 Clofarabine 1.45E+07 1.21E+07 3.20E+07 1.68E+07 1.96E+07 2.42E+07 Deoxyuridine-5'-diphosphate 5.03E+04 2.76E+04 4.50E+04 4.73E+04 4.27E+04 6.21E+04 Nelarabine 8.54E+06 6.14E+06 7.41E+06 6.11E+06 4.24E+06 6.55E+06 Udp-beta-L-rhamnose 1.62E+04 3.70E+04 1.90E+04 4.25E+04 1.07E+05 3.22E+04 UDP-N-acetyl-D-mannosamine 6.12E+04 7.82E+04 7.02E+04 6.52E+04 1.30E+05 1.29E+05 2-Undecyl-thiazolidine-4-carboxylic acid 4.93E+05 2.47E+05 2.17E+05 3.34E+05 4.22E+05 2.45E+05 1-Aminocyclopropanecarboxylic acid 9.76E+06 1.03E+07 1.05E+07 9.64E+06 8.13E+06 1.16E+07 1,2-Ethylenediphosphonic acid 9.41E+04 8.58E+04 7.42E+04 8.04E+04 7.49E+04 7.01E+04 3-Hydroxydodecanoic acid 4.44E+04 3.41E+04 4.56E+04 4.09E+04 4.35E+04 2.95E+04 4-Fluoro-L-phenylalanine 1.90E+06 1.93E+06 1.81E+06 1.75E+06 1.75E+06 2.05E+06 4-Nitrophenyl phosphate 8.90E+04 1.11E+05 1.41E+05 1.08E+05 9.45E+04 8.65E+04 Capivasertib 5.55E+04 2.78E+04 3.50E+04 2.18E+04 1.74E+04 1.96E+04 Arg-Phe-Arg 2.26E+05 2.12E+05 2.39E+05 1.53E+05 1.50E+05 1.02E+05 Asp-Asp 3.02E+06 2.98E+06 2.93E+06 2.72E+06 2.48E+06 3.24E+06 Camylofin 1.44E+06 1.46E+06 1.58E+06 1.38E+06 1.19E+06 1.61E+06 Cephradine 1.00E+05 3.27E+04 3.69E+04 3.22E+04 1.72E+04 4.53E+04 Dexrazoxane 1.63E+05 6.03E+04 1.20E+05 5.60E+04 1.07E+05 6.58E+04 N-Docosa-4,7,10,13,16,19-hexaenoylglycine 1.00E+04 7.35E+03 7.39E+03 3.56E+03 1.66E+03 3.26E+03 Enalapril 4.81E+04 4.87E+04 4.54E+04 6.20E+04 4.83E+04 5.52E+04 Dapt 2.47E+04 1.29E+04 2.64E+04 9.55E+03 7.20E+03 1.01E+04 Gly-Val-Arg 2.74E+06 9.33E+05 1.14E+06 9.85E+05 3.32E+06 1.15E+06 Glycyl-H 1152 dihydrochloride 2.40E+04 2.66E+04 2.61E+04 2.49E+04 2.08E+04 1.69E+04 His-Glu 1.09E+06 9.94E+05 7.81E+05 7.93E+05 6.90E+05 7.63E+05 Leukotriene D4 methyl ester 8.08E+04 1.30E+05 1.63E+05 9.91E+04 1.38E+05 7.42E+04 L-selenomethionine 2.82E+06 3.31E+06 3.34E+06 2.57E+06 2.40E+06 3.16E+06 Lys-Lys 1.44E+05 1.19E+05 1.60E+05 8.43E+04 8.19E+04 7.00E+04 Monoethylglycinexylidide 7.60E+05 3.88E+04 4.55E+05 2.36E+06 2.66E+06 1.62E+06 N-3-oxo-tetradec-7(Z)-enoyl-L-Homoserine lactone 4.23E+04 1.23E+05 1.28E+05 8.34E+04 2.15E+04 1.53E+05 N-cis-Hexadec-9Z-enoyl-L-homoserine lactone 3.77E+04 2.76E+04 3.32E+04 1.10E+04 9.71E+03 1.08E+04 N-(2,6-dimethylphenyl)piperidine-2-carboxamide 3.71E+06 6.16E+03 3.50E+05 7.97E+05 6.50E+05 9.18E+05 Phenylalanylcysteine 5.89E+04 9.14E+04 1.22E+05 8.36E+04 1.14E+05 8.85E+04 Phenylbutyrylglutamine 4.95E+05 2.97E+05 3.53E+05 4.49E+05 4.51E+05 3.75E+05 L-Tryptophan, N-[[(6-deoxy-alpha-L-mannopyranosyl)oxy]hydroxyphosphinyl]-L-leucyl- 7.74E+05 3.66E+05 6.67E+05 5.42E+05 2.82E+05 4.95E+05 Pravastatin 1.07E+04 8.73E+03 7.89E+03 1.02E+04 4.68E+03 1.29E+04 Pro-leu 1.92E+06 1.63E+06 1.76E+06 1.52E+06 1.48E+06 1.69E+06 Prolylthreonine 1.79E+05 1.35E+05 1.14E+05 1.37E+05 1.30E+05 2.17E+05 Ramipril 1.26E+05 1.97E+04 1.14E+05 1.04E+05 4.47E+04 1.36E+05 Ropivacaine 5.81E+06 9.69E+03 1.07E+07 3.87E+06 3.12E+06 5.31E+06 L-Deoxyalliin 8.50E+03 7.02E+03 8.54E+03 8.72E+03 6.85E+03 6.45E+03 Ser-Tyr-Arg 2.93E+07 3.04E+07 2.86E+07 2.80E+07 2.82E+07 2.71E+07 s-Hexylglutathione 3.01E+05 3.32E+05 9.97E+04 1.22E+05 9.91E+04 1.10E+05 Tfa-VAL-TYR-VAL-OH 4.45E+04 5.59E+04 5.65E+04 4.04E+04 3.84E+04 4.68E+04 Tranexamic acid 9.12E+05 9.28E+05 1.13E+06 8.58E+05 5.93E+05 1.22E+06 Tris(2-butoxyethyl) phosphate 1.54E+06 1.70E+06 1.55E+06 1.60E+06 1.48E+06 1.59E+06 Tryptophylasparagine 2.68E+05 2.67E+05 5.49E+05 5.37E+05 2.57E+05 7.18E+05 (3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid 3.56E+04 3.04E+04 3.95E+04 3.60E+04 4.22E+04 3.44E+04 Zoledronic acid 8.90E+04 1.11E+05 1.41E+05 1.08E+05 9.45E+04 8.65E+04 Methacholine 1.02E+06 3.98E+06 1.39E+06 1.56E+06 2.17E+06 1.73E+06 Palmitoleoyl Ethanolamide 1.44E+05 1.37E+05 1.62E+05 1.26E+05 1.12E+05 1.01E+05 (S)-Mevalonic acid-5-pyrophosphate 9.88E+05 1.20E+06 1.31E+06 1.44E+06 1.56E+06 1.42E+06 1-deoxy-D-xylulose 5-phosphate 1.10E+06 1.01E+06 9.74E+05 9.10E+05 9.61E+05 8.82E+05 1-phosphatidyl-1D-myo-inositol 3-phosphate 5.45E+04 7.82E+04 8.26E+04 6.11E+04 7.65E+04 9.43E+04 4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one 1.11E+05 1.31E+05 1.28E+05 1.16E+05 1.02E+05 1.63E+05 2-Propanoylthiazole 1.75E+05 1.53E+05 1.69E+05 1.35E+05 1.44E+05 2.31E+05 Dibenz(b,f)(1,4)oxazepine-10(11H)-carboxylic acid, 8-chloro-, 2-(1-oxo-3-(4-pyridinyl)propyl)hydrazide, monohydrochloride 1.42E+05 6.15E+04 1.08E+05 5.33E+04 1.91E+04 7.95E+04 5-Aminoimidazole ribonucleotide 1.25E+06 1.18E+06 1.59E+06 1.23E+06 1.30E+06 9.02E+05 6-(5-ethenyl-2-hydroxy-3-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 6.14E+05 5.24E+05 5.31E+05 4.95E+05 4.05E+05 4.20E+05 7-Pentacosanone 1.05E+04 1.33E+04 1.70E+04 9.64E+03 8.01E+03 9.24E+03 Glucobrassicanapin 1.56E+05 7.09E+04 1.03E+05 8.48E+04 3.93E+04 9.25E+04 Kanamycin 1.64E+05 2.19E+05 2.07E+05 1.52E+05 1.54E+05 1.68E+05 L-Gulose 2.12E+06 2.12E+06 1.73E+06 2.74E+06 1.93E+06 2.57E+06 Bardoxolone methyl 3.68E+06 4.83E+06 3.34E+06 3.33E+06 2.82E+06 2.82E+06 Phenethyl rutinoside 5.10E+04 5.05E+04 5.38E+04 3.32E+04 3.17E+04 5.02E+04 Gluconasturtiin 3.51E+04 4.72E+04 4.25E+04 5.74E+04 4.54E+04 3.80E+04 Phenyl beta-D-glucopyranoside 6.45E+04 5.73E+04 6.25E+04 4.63E+04 4.67E+04 4.74E+04 Propofol Glucuronide 7.95E+04 7.31E+04 6.75E+04 4.77E+04 5.34E+04 5.55E+04 Sedoheptulose 4.99E+04 6.99E+04 4.67E+04 2.79E+04 2.56E+04 3.70E+04 Sinigrin 6.62E+04 4.95E+04 8.61E+04 7.25E+04 6.68E+04 6.63E+04 trichostatin A 1.04E+05 3.96E+04 4.59E+04 3.10E+04 1.56E+05 6.03E+04 1,5-Dihydro-5-methyl-1-beta-D-ribofuranosyl-1,2,5,6,8-pentaazaacenaphthylen-3-amine 3.81E+06 3.98E+06 3.81E+06 3.89E+06 3.91E+06 3.97E+06 [3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)propoxy]sulfonic acid 1.93E+05 2.57E+05 3.70E+05 2.06E+05 2.41E+05 2.64E+05 2-Methyltryptoline 1.35E+04 6.97E+02 4.06E+03 Dubinidine 1.32E+05 6.82E+04 1.51E+05 8.92E+04 9.60E+04 8.04E+04 2,2,6,6-Tetramethyl-4-piperidinone 9.92E+06 8.49E+06 8.83E+06 1.11E+07 9.76E+06 1.12E+07 2-Hydroxyquinoline 9.50E+05 1.07E+06 1.23E+06 1.04E+06 9.12E+05 1.00E+06 2-Methyl-1-[1,3,7,9-tetrahydroxy-4,6-dimethyl-8-(2-methyl-1-oxobutyl)-2-dibenzofuranyl]-1-butanone 8.66E+04 9.97E+04 2.11E+05 7.98E+04 1.12E+05 8.98E+04 3-(6-Amino-9h-purin-9-yl)propanoic acid 4.30E+05 3.19E+05 3.20E+05 4.20E+05 4.78E+05 4.54E+05 3-[1-(3-Aminopropyl)-1H-indol-3-YL]-4-(1-methyl-1H-indol-3-YL)-1H-pyrrole-2,5-dione 2.30E+05 9.70E+04 1.92E+05 7.43E+04 8.48E+04 9.98E+04 3-[1-[3-(Dimethylamino)propyl]-5-methoxy-1H-indol-3-yl]-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione 2.81E+05 3.40E+05 3.85E+05 1.92E+05 1.45E+05 1.50E+05 3-Hydroxy-3-methyloxindole 1.07E+05 1.12E+05 1.33E+05 1.20E+05 9.59E+04 1.09E+05 3-Methyl-1-[1,3,7,9-tetrahydroxy-2,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-dibenzofuranyl]-1-butanone 8.34E+03 1.56E+04 2.37E+04 1.28E+04 2.32E+04 9.41E+03 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol 9.96E+04 4.65E+04 6.12E+04 4.98E+04 2.89E+04 5.56E+04 Folinic acid 5.02E+04 5.68E+04 4.87E+04 1.92E+04 1.74E+04 1.28E+04 5-Hydroxy-2,8-dimethyl-6,7,8,9-tetrahydropyrano[3,2-h][1]benzoxepin-4-one 7.47E+04 7.59E+04 7.43E+04 5.97E+04 7.77E+04 7.70E+04 2-ammonio-3-(5-hydroxy-1H-indol-3-yl)propanoate 1.39E+06 1.69E+06 1.46E+06 1.25E+06 1.35E+06 1.21E+06 N-(2-(4-Bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide 3.92E+04 5.43E+04 5.07E+04 5.09E+04 5.74E+04 5.70E+04 7,8-Dimethyl-10-(2'-acetoxyethyl)isoalloxazine 1.09E+04 2.57E+04 2.05E+04 1.44E+04 2.77E+04 2.03E+04 6-Chloro-n-(2-chlorophenyl)-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine 4.39E+05 1.30E+05 9.38E+04 6.10E+05 1.45E+06 5.10E+05 1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol 8.06E+04 9.23E+04 9.14E+04 9.73E+04 1.15E+05 1.23E+05 7H-Purin-8-ol 1.56E+07 2.02E+07 1.97E+07 1.90E+07 2.01E+07 2.41E+07 Actara 2.41E+05 1.53E+05 1.47E+05 1.30E+05 1.60E+05 1.22E+05 alpha-Mangostin 1.07E+04 1.39E+04 1.19E+04 9.71E+03 1.25E+04 8.50E+03 Bilirubin 1.21E+04 6.69E+03 4.57E+04 1.02E+04 2.71E+04 2.19E+04 Cafamarine 1.16E+05 6.11E+05 2.60E+04 3.16E+05 2.45E+05 4.49E+05 Carvedilol 8.69E+04 7.09E+04 1.23E+05 5.13E+04 4.47E+04 5.29E+04 6-[(1Z,3E,5Z,7E)-8-(3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl)-7-methylocta-1,3,5,7-tetraenyl]-4-methoxy-3,5-dimethylpyran-2-one 7.49E+03 4.95E+04 4.39E+04 1.71E+04 3.62E+04 1.53E+04 Cyclic pyranopterin monophosphate 1.84E+05 2.15E+05 3.44E+05 3.49E+05 7.43E+05 2.92E+05 Cycloheximide 5.01E+06 3.18E+06 5.93E+06 5.79E+06 5.02E+06 4.34E+06 7-Epi-cylindrospermopsin 2.31E+05 2.40E+05 2.93E+05 2.61E+05 3.48E+05 3.15E+05 Doramapimod 6.71E+05 8.65E+05 1.73E+06 5.69E+05 2.34E+05 1.03E+06 Fenpiclonil 1.55E+06 1.86E+06 1.18E+06 1.92E+06 1.42E+06 1.17E+06 (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid 5.18E+04 5.79E+04 7.24E+04 9.72E+04 5.78E+04 9.53E+04 Garcinone C 1.24E+04 3.18E+04 1.88E+04 4.66E+04 3.20E+04 6.34E+04 Garcinone D 8.99E+04 9.05E+04 2.04E+05 8.47E+04 1.21E+05 8.43E+04 Gymnodimine 1.73E+07 1.48E+07 2.05E+07 1.42E+07 1.05E+07 1.88E+07 Janthitrem E 7.95E+05 8.10E+05 1.48E+06 8.27E+05 4.70E+05 9.22E+05 Licofelone 5.50E+04 5.69E+04 5.08E+04 4.35E+04 3.14E+04 2.78E+04 Lomefloxacin 2.77E+04 3.01E+04 2.83E+04 2.83E+04 3.09E+04 2.61E+04 Macaridine 7.38E+05 6.63E+05 1.01E+06 4.54E+05 4.19E+05 5.19E+05 Mepiprazole 2.73E+04 3.38E+04 3.12E+04 3.73E+04 2.67E+04 2.95E+04 Mepivacaine 8.26E+06 1.28E+06 1.17E+07 Methabenzthiazuron 1.02E+07 7.02E+06 1.59E+07 1.04E+07 1.16E+07 1.27E+07 BIX 01294 Trihydrochloride 3.25E+04 7.96E+04 9.11E+04 4.07E+04 4.61E+04 2.75E+04 2,2'-Dipyridylamine 1.72E+06 1.26E+06 1.71E+06 1.32E+06 1.21E+06 1.46E+06 1-(tert-Butyl)-3-(2-((4-(diethylamino)butyl)amino)-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl)urea 1.59E+06 1.54E+06 1.95E+06 1.49E+06 1.13E+06 1.77E+06 Nitrendipine 2.80E+05 1.43E+05 2.18E+05 2.36E+05 2.50E+05 1.98E+05 Nb-Palmitoyltryptamine 1.62E+05 1.69E+05 1.91E+05 1.72E+05 1.43E+05 1.51E+05 Pentostatin 9.64E+05 5.67E+05 5.95E+05 7.97E+05 7.84E+05 7.04E+05 protoporphyrin IX 3.31E+05 3.64E+05 7.10E+05 4.18E+05 2.92E+05 4.78E+05 Pyridoxamine phosphate 3.04E+07 3.49E+07 3.63E+07 3.68E+07 4.06E+07 4.62E+07 8-Demethyl-8-(dimethylamino)riboflavin 1.59E+04 1.64E+04 1.44E+04 2.08E+04 6.01E+03 1.66E+04 (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidin-1-ium-3-carboxylate 1.06E+04 1.53E+04 1.48E+04 9.51E+03 1.53E+04 1.43E+04 Vidarabine 9.38E+06 5.44E+06 8.87E+06 5.85E+06 8.37E+06 5.06E+06 Zaleplon 7.27E+05 3.16E+05 4.28E+05 3.74E+05 1.94E+05 4.07E+05 Methylarsonate 1.29E+06 1.38E+06 1.25E+06 1.14E+06 1.21E+06 1.13E+06 4-Hydroxyphenyl thiocyanate 6.48E+04 7.64E+04 7.29E+04 7.20E+04 6.46E+04 6.93E+04 Pirinixic acid 1.16E+06 9.60E+05 8.72E+05 6.56E+05 7.23E+05 8.59E+05 2,5-Dihydroxycinnamic acid 4.23E+06 3.85E+06 4.00E+06 3.37E+06 3.20E+06 4.33E+06 (S)-(E)-2'-(3,6-Dimethyl-2-heptenyl)-3',4',7-trihydroxyflavanone 9.88E+03 1.99E+04 3.00E+04 3.39E+04 5.02E+03 3.79E+04 [2-(benzoyloxy)-5-(prop-2-en-1-yl)phenyl]oxidanesulfonic acid 3.41E+05 3.31E+05 4.81E+05 4.48E+05 1.00E+06 4.27E+05 {4-[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid 3.39E+05 3.40E+05 4.89E+05 4.85E+05 1.03E+06 4.49E+05 12-Dehydroporson 1.93E+04 4.15E+04 4.62E+04 1.69E+04 2.00E+04 1.49E+04 2-(4-hydroxy-3-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,6,7-tetrol 1.58E+06 6.99E+05 1.02E+06 1.17E+06 6.50E+05 1.55E+06 2,5-Dimethoxycinnamic acid 2.61E+04 5.68E+04 6.29E+04 2.86E+04 4.33E+04 3.38E+04 3-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one 9.31E+05 1.14E+06 1.23E+06 7.91E+05 1.36E+06 6.86E+05 5,12,14-trihydroxy-9-oxo-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-13-yl acetate 2.85E+04 1.92E+04 2.94E+04 2.35E+04 2.06E+04 2.29E+04 5,7-Dihydroxy-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one 6.75E+04 6.30E+04 4.61E+04 7.15E+04 4.99E+04 9.24E+04 5,7-dihydroxy-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)-4H-chromen-4-one 2.24E+04 1.76E+04 1.39E+04 8.74E+03 5.72E+03 7.20E+03 5-{5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol 6.71E+05 2.18E+05 3.51E+05 2.47E+05 1.01E+05 3.46E+05 5-Hydroxy-8,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-pentyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one 1.96E+05 6.41E+04 1.44E+05 1.04E+05 7.95E+04 8.30E+04 6-{[7,8,8,13,21,22-hexahydroxy-19-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.1,(1)(1).0,.0(1),(1)]tricosa-4,10,12,14-tetraen-12-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 2.68E+05 2.28E+05 3.27E+05 2.87E+05 3.54E+05 2.38E+05 6-Hydroxy-9,9-dimethyl-5-(3-methyl-1-oxobutyl)-1-propyl-3H,9H-[1,2]-dioxolo[3',4':4,5]furo[2,3-f][1]benzopyran-3-one 1.52E+04 1.02E+04 1.68E+04 8.11E+03 6.17E+03 6.36E+03 Archangelicin 1.93E+06 5.00E+05 9.88E+05 6.75E+05 2.22E+05 9.83E+05 brefeldin A 3.17E+05 2.70E+05 2.70E+05 2.26E+05 2.19E+05 2.05E+05 Erythrinasinate A 7.27E+04 8.53E+04 6.23E+04 4.37E+04 5.11E+04 5.62E+04 Sophoraflavonoloside 4.42E+04 3.34E+04 2.70E+04 1.83E+04 1.45E+04 1.47E+04 Lecanoric acid 1.36E+06 9.03E+05 9.45E+05 1.12E+06 1.12E+06 1.28E+06 Montelukast, (S)- 1.46E+04 1.19E+04 2.37E+04 1.12E+04 1.30E+04 9.33E+03 Phlorizin 1.16E+05 8.10E+04 1.00E+05 6.71E+04 5.58E+04 5.89E+04 Rutamarin 3.19E+04 1.71E+04 1.52E+04 2.78E+04 2.30E+04 2.83E+04 Sericetin 2.57E+05 1.96E+05 2.93E+05 1.71E+05 1.36E+05 1.58E+05 Tetracycline 3.98E+05 2.88E+05 2.58E+05 2.76E+05 2.19E+05 3.62E+05 (20S)-Protopanaxadiol 5.97E+04 2.18E+04 4.02E+04 3.45E+04 3.53E+04 3.29E+04 (3beta,24R,24'R)-fucosterol epoxide 2.66E+04 2.47E+04 3.25E+04 4.11E+04 3.73E+04 4.16E+04 (Z)-2-tetracos-15-enamidoethanesulfonic acid 6.12E+06 6.34E+06 8.24E+06 6.37E+06 4.81E+06 7.03E+06 [(2R,3S,4R,5R)-5-[5-amino-4-[(4-amino-4-oxo-butanoyl)amino]imidazol-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate 3.45E+05 3.30E+05 3.22E+05 3.54E+05 3.79E+05 2.94E+05 Hydroxychlor 1.53E+07 2.34E+07 1.11E+07 2.51E+07 2.09E+07 3.74E+06 1,2-Bis(4-hydroxyphenyl)-2-propanol 2.87E+04 4.16E+04 4.06E+04 2.91E+04 3.41E+04 4.60E+04 15-Oxo-beta-bilirubin 1.50E+04 1.52E+04 2.15E+04 1.87E+04 2.06E+04 2.70E+04 17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione 2.83E+05 2.28E+05 2.61E+05 2.22E+05 1.84E+05 1.93E+05 17-phenyl trinor PGF2 cyclohexyl amide 2.17E+06 8.37E+05 1.56E+06 1.58E+06 6.39E+05 1.69E+06 19-Chloroproansamitocin 1.28E+05 1.10E+05 1.28E+05 1.11E+05 1.27E+05 1.00E+05 19-hydroxy-17-oxoandrost-5-en-3-yl sulfate 3.60E+04 7.70E+04 1.11E+05 4.79E+04 8.78E+04 6.96E+04 (1S,3R,4Z,8Z,12S,13Z)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol 8.80E+04 7.02E+04 9.42E+04 6.81E+04 5.37E+04 5.52E+04 2-{5-[3-(6-Benzoyl-1-propylnaphthalen-2-yloxy)propoxy]indol-1-YL}ethanoic acid 8.03E+04 1.18E+05 1.02E+05 8.96E+04 9.37E+04 7.53E+04 3'-Demethylstaurosporine 1.72E+06 1.58E+06 2.51E+06 1.17E+06 1.13E+06 1.49E+06 3-Hydroxy-3-methyl-2-oxobutanoic acid 1.52E+06 1.61E+06 1.85E+06 1.20E+06 1.93E+06 9.77E+05 3-phospho-D-glyceroyl dihydrogen phosphate 3.51E+05 3.69E+05 3.96E+05 2.71E+05 2.71E+05 3.73E+05 Icosa-5,14-dienoic acid 2.86E+05 3.04E+05 4.46E+05 2.06E+05 1.41E+05 2.02E+05 5Androstan-3ol-17-one sulfate 7.63E+04 1.10E+05 8.07E+04 5.24E+04 7.20E+04 4.96E+04 5-Chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine 3.50E+06 3.69E+06 4.13E+06 3.44E+06 2.98E+06 4.51E+06 5-Guanidino-3-methyl-2-oxopentanoic acid 2.75E+05 7.70E+04 4.08E+04 1.60E+05 3.28E+05 1.47E+05 6,8a-Seco-6,8a-deoxy-5-oxoavermectin''1a'' aglycone 3.41E+05 2.88E+05 6.33E+05 3.21E+05 2.22E+05 2.30E+05 6-deoxy-6-sulfo-D-fructofuranose 1-phosphate 4.29E+05 4.22E+05 4.57E+05 3.42E+05 3.14E+05 4.36E+05 D-Quinovose 9.34E+05 9.53E+05 8.89E+05 1.09E+06 1.07E+06 4.38E+05 3-Hydroxy-7,12-diketocholanoic acid 1.78E+05 6.45E+05 3.66E+05 7.03E+04 1.37E+05 5.26E+04 9,10-Dihydroxy-12,13-epoxyoctadecanoate 2.54E+04 2.04E+04 3.13E+04 1.54E+04 1.38E+04 2.04E+04 9beta-Pimara-7,15-dien-19-oic acid 1.54E+05 2.80E+05 8.33E+04 5.29E+04 5.88E+04 5.43E+04 9alpha-Chlorocortisol acetate 5.71E+04 8.13E+04 1.40E+04 4.40E+04 1.76E+04 1.24E+04 Abieta-7,13-dien-18,18-diol 5.07E+05 3.55E+05 3.91E+05 2.81E+05 1.57E+05 3.55E+05 Ac-Ser-Asp-Lys-Pro 7.49E+05 7.72E+05 4.00E+05 3.05E+05 4.10E+05 4.08E+05 Ala-Asp-Ser-Glu 2.87E+05 9.05E+04 1.29E+05 1.74E+05 5.79E+04 1.20E+05 Ala-Thr-Tyr-Lys 3.38E+06 4.01E+06 3.99E+06 3.45E+06 2.96E+06 3.22E+06 Arenobufagin 2.69E+04 6.24E+04 6.86E+04 3.42E+04 4.88E+04 3.55E+04 Arg-Glu-Asp-Arg 3.23E+04 4.20E+04 7.19E+04 5.73E+04 6.81E+04 6.33E+04 Arg-Ile-Ala 1.85E+05 5.84E+04 8.18E+04 5.82E+04 2.17E+05 7.81E+04 Arg-Leu-Ala 5.47E+04 6.16E+04 5.34E+04 6.00E+04 5.45E+04 5.49E+04 Arg-Lys-His-Arg 2.19E+05 9.79E+04 3.75E+05 2.15E+05 1.66E+05 2.72E+05 Arg-Pro-Leu 8.16E+04 7.22E+04 1.07E+05 1.24E+05 1.22E+05 1.12E+05 Arg-Pro-Thr 9.41E+04 1.93E+05 1.70E+05 8.81E+04 9.62E+04 1.08E+05 Arg-Ser-Lys-Arg 2.50E+07 2.83E+07 5.27E+07 2.14E+07 1.32E+07 2.64E+07 Arg-Val-Ser 3.77E+04 1.66E+04 2.52E+04 1.80E+04 4.37E+04 2.24E+04 Asn-Arg-Phe-Lys 8.69E+05 9.72E+05 8.00E+05 9.37E+05 7.42E+05 9.52E+05 Asn-Glu-Thr-Glu 2.90E+04 2.93E+04 5.06E+04 2.90E+04 3.00E+04 3.11E+04 Asn-Glu-Tyr-Glu 5.41E+04 5.66E+04 6.90E+04 3.83E+04 4.51E+04 3.46E+04 Asn-Ile-Thr-Glu 3.41E+04 1.34E+04 6.91E+04 4.11E+04 5.95E+04 7.66E+04 Asn-Leu-Pro-Ala-Lys 7.40E+06 6.74E+06 8.40E+06 5.68E+06 4.35E+06 6.83E+06 Asn-Leu-Ser-Phe-Gln 5.80E+03 1.20E+04 1.33E+04 1.48E+04 1.86E+04 2.05E+04 Asn-Thr-Asp-Arg 8.21E+03 1.38E+04 1.64E+04 9.51E+03 7.85E+03 1.15E+04 Asp-Ile-Glu 1.31E+05 2.33E+05 3.11E+05 3.19E+05 2.59E+05 6.10E+05 Asp-Leu-Phe-Arg 1.55E+06 1.83E+06 2.27E+06 1.02E+06 7.74E+05 1.62E+06 Asp-Nap-OH 5.46E+04 4.51E+04 6.99E+04 2.70E+04 2.91E+04 3.56E+04 Avermectin A1b monosaccharide 3.83E+04 2.58E+04 2.06E+04 3.24E+04 1.32E+04 2.10E+04 Azafrin 7.91E+05 2.57E+05 1.27E+06 4.50E+05 3.83E+05 4.05E+05 Calcium pantothenate 1.73E+05 1.71E+05 2.10E+05 1.55E+05 1.27E+05 1.69E+05 Carmamycin B 3.03E+04 2.87E+04 2.45E+04 2.17E+04 1.86E+04 2.97E+04 Cys-Tyr-Thr 1.12E+06 6.62E+05 9.50E+05 6.04E+05 2.18E+05 7.11E+05 Dialdehyde 3.36E+05 3.21E+05 3.81E+05 3.22E+05 2.45E+05 3.47E+05 Fosfestrol 2.28E+04 2.38E+04 2.49E+04 2.73E+04 2.40E+04 3.39E+04 dTDP-N-hydroxy-beta-L-evernosamine 5.35E+04 5.88E+04 5.01E+04 4.63E+04 7.73E+04 3.31E+04 Dynemicin A 3.48E+04 2.80E+04 3.14E+04 2.16E+04 2.12E+04 3.22E+04 Fluphenazine enanthate 3.50E+04 4.22E+04 5.08E+04 3.39E+04 3.47E+04 3.05E+04 Gln-Ala-Glu-Asp 1.13E+05 4.27E+04 2.95E+05 1.55E+05 2.63E+05 2.61E+05 Glu-Asp-Arg-Arg 2.48E+04 2.70E+04 4.87E+04 3.17E+04 4.90E+04 4.84E+04 Glu-Asp-Lys-Glu 1.78E+04 3.03E+04 2.43E+04 2.95E+04 1.87E+04 1.73E+04 Glu-Phe-Tyr-Lys 5.33E+04 1.42E+05 6.97E+04 5.50E+04 5.15E+04 4.50E+04 Glu-Tyr-Ile-Glu 3.02E+04 2.54E+04 3.20E+04 2.89E+04 2.49E+04 1.23E+04 Glu-Val-Phe-Glu 1.21E+06 4.59E+05 1.32E+06 6.02E+05 6.79E+05 7.87E+05 Gly-Ala-Asn-Phe-Glu 2.24E+05 2.15E+05 2.64E+05 1.91E+05 2.23E+05 1.73E+05 Gly-Arg-Ser 1.91E+04 1.87E+04 1.41E+04 1.47E+04 1.56E+04 2.07E+04 Gly-Arg-Val-Arg-Leu 6.26E+04 5.54E+04 8.91E+04 7.73E+04 6.29E+04 8.74E+04 Gly-Gly-Thr 5.54E+06 3.96E+06 5.82E+06 4.25E+06 4.24E+06 4.70E+06 Gly-Tyr-Asn-Ser-Tyr 3.91E+05 3.21E+05 5.38E+05 3.24E+05 2.27E+05 3.13E+05 Gly-Tyr-Cys 5.99E+05 4.90E+05 3.88E+05 2.54E+05 1.95E+05 2.10E+05 gomisin N 6.43E+05 4.70E+05 6.45E+05 2.53E+05 3.33E+05 2.63E+05 Guanosine-3'-monophosphate 7.43E+06 9.10E+06 1.09E+07 9.63E+06 1.14E+07 1.01E+07 His-Ala-Val-Asp 5.87E+05 5.21E+05 5.59E+05 5.89E+05 5.40E+05 5.53E+05 His-Asn-Ile 3.96E+07 3.68E+07 3.90E+07 3.56E+07 3.42E+07 3.44E+07 His-Ile-Phe 1.64E+05 1.10E+05 2.72E+05 2.22E+05 2.17E+05 1.99E+05 His-Thr-Lys-Lys 3.29E+04 1.37E+04 2.10E+04 1.54E+04 1.09E+04 1.59E+04 His-Val-Ile-Arg 1.85E+06 1.65E+06 1.91E+06 1.42E+06 1.16E+06 1.68E+06 His-Val-Thr-Glu-Glu 1.81E+05 1.93E+05 2.36E+05 2.05E+05 1.79E+05 2.28E+05 Ile-Asp-Phe-Arg 2.12E+05 1.09E+05 2.70E+05 1.86E+05 1.66E+05 1.26E+05 Ile-Glu-Leu-Lys 3.39E+06 3.59E+06 3.89E+06 3.16E+06 2.53E+06 3.79E+06 Ile-His-Asn-Glu 3.25E+05 2.83E+05 4.30E+05 2.75E+05 2.82E+05 3.10E+05 Ile-Phe-Val-Lys 1.70E+05 2.36E+05 2.24E+05 1.93E+05 1.82E+05 2.21E+05 Ile-Ser-Val-Asp 3.14E+05 1.92E+05 2.24E+05 2.16E+05 2.59E+05 2.47E+05 Ile-Thr-His-Asp 7.58E+04 7.65E+04 6.11E+04 7.71E+04 7.60E+04 7.03E+04 Ile-Tyr-Arg-Glu 9.77E+05 5.75E+05 9.41E+05 5.20E+05 3.94E+05 5.63E+05 N(6)-(dimethylallyl)adenosine 5'-diphosphate 2.59E+05 3.15E+05 1.98E+05 2.63E+05 4.17E+05 2.18E+05 Janthitrem C 2.03E+06 3.20E+06 5.17E+06 1.99E+06 1.17E+06 2.75E+06 JWH 250 N-(5-carboxyxypentyl) metabolite 8.85E+03 8.30E+03 8.58E+03 9.36E+03 4.43E+03 5.78E+03 JWH 309 2.52E+04 4.99E+04 5.49E+04 5.66E+04 6.64E+04 3.30E+04 Leu-Ala-Pro-Leu-Glu 1.34E+07 1.31E+07 1.56E+07 9.47E+06 8.09E+06 1.21E+07 Leu-Asp-His-Arg 2.57E+05 3.78E+05 3.21E+05 2.48E+05 2.70E+05 2.76E+05 Leu-Glu-His 6.60E+05 1.32E+06 9.85E+05 1.60E+06 1.44E+06 1.56E+06 Leu-Gly-Asp-Val-Ile 1.33E+06 1.37E+06 1.63E+06 1.26E+06 8.55E+05 1.61E+06 Leu-Leu-Cys 2.17E+07 2.34E+07 2.43E+07 2.57E+07 2.91E+07 2.70E+07 Leu-Leu-Ser-Pro-Tyr 3.79E+05 4.28E+05 9.73E+05 4.45E+05 2.73E+05 5.52E+05 Leu-Lys-His-Glu 1.96E+06 1.37E+06 2.83E+06 1.62E+06 4.18E+06 1.49E+06 Leu-Tyr-Lys-Glu 1.39E+06 1.35E+06 2.26E+06 1.40E+06 1.18E+06 7.97E+05 Leu-Val-Leu-Gly-Phe 1.48E+06 1.54E+06 1.80E+06 1.09E+06 8.28E+05 1.30E+06 Lys-Ala-Leu-Glu 9.41E+06 1.05E+07 1.07E+07 8.39E+06 7.36E+06 8.51E+06 Lys-Leu-His-Glu 4.00E+06 3.35E+06 6.01E+06 4.89E+06 4.18E+06 2.56E+06 Lys-Phe-Leu-Glu 3.48E+06 3.68E+06 4.38E+06 3.48E+06 3.12E+06 2.80E+06 Lys-Thr-Gln-Lys 1.70E+06 1.10E+06 2.11E+06 7.90E+05 8.37E+05 1.23E+06 Lys-Thr-Phe-Glu 9.95E+06 8.41E+06 7.98E+06 4.89E+06 4.15E+06 8.00E+06 Lys-Tyr-Ile-Glu 1.30E+06 1.29E+06 2.26E+06 1.33E+06 1.10E+06 7.67E+05 Lys-Gln-Ala-Gly-Asp-Val 8.54E+04 7.47E+04 6.53E+04 5.48E+04 4.39E+04 3.65E+04 LPC(22:5/0:0) 1.52E+06 7.93E+05 1.40E+06 6.71E+05 4.37E+05 1.05E+06 Mg-protoporphyrin IX 1.09E+05 1.30E+05 9.12E+04 8.08E+04 4.40E+04 7.43E+04 Magnosalin 1.23E+05 1.88E+04 5.22E+04 1.50E+05 3.99E+04 1.68E+05 Met-Cys-Tyr 3.12E+05 3.40E+05 3.62E+05 3.27E+05 4.86E+05 3.85E+05 Met-Phe-Thr-Glu-Asp 1.95E+05 3.05E+05 1.89E+05 1.60E+05 1.20E+05 2.34E+05 Met-Val-His-Leu-Thr 3.87E+05 3.50E+05 3.19E+05 4.18E+05 4.28E+05 2.92E+05 Met-Met 2.65E+05 2.04E+05 2.62E+05 2.69E+05 2.56E+05 2.03E+05 N-Acetyl-O-demethylpuromycin-5'-phosphate 5.31E+04 6.26E+04 6.29E+04 4.83E+04 1.13E+05 4.27E+04 Phe-Asp-Ile-Glu 1.17E+06 4.82E+05 1.30E+06 6.65E+05 6.60E+05 7.73E+05 Phe-Cys-Leu 3.04E+04 3.57E+04 4.94E+04 3.78E+04 2.92E+04 4.76E+04 Phe-Glu-Ile-Arg 8.79E+04 1.14E+05 1.39E+05 9.19E+04 1.18E+05 8.40E+04 Phe-Glu-Val-Glu 2.58E+04 1.22E+04 3.41E+04 1.61E+04 1.72E+04 1.99E+04 Phe-Ser-Trp 5.82E+06 6.82E+06 7.20E+06 5.51E+06 4.90E+06 5.52E+06 Phe-Thr-Thr 1.72E+05 1.34E+05 1.11E+05 1.47E+05 6.21E+04 1.42E+05 Pro-Pro-Asp-Gln-Gln 6.04E+04 4.76E+04 5.64E+04 4.32E+04 5.96E+04 5.45E+04 Protopanaxatriol 4.90E+04 4.24E+04 6.88E+04 3.85E+04 2.39E+04 4.19E+04 Acid yellow 3 1.45E+05 1.94E+05 1.73E+05 1.84E+05 2.37E+05 1.89E+05 Dimethylpropiothetin 5.52E+05 4.02E+05 2.88E+05 4.43E+05 4.36E+05 4.31E+05 schisandrin C 4.14E+04 7.80E+04 1.11E+05 5.89E+04 8.39E+04 6.75E+04 Ser-Gly-Ala-Asn-Lys 1.20E+07 1.33E+07 1.49E+07 1.02E+07 1.01E+07 1.00E+07 Ser-His-Phe-Lys 5.39E+04 5.29E+04 5.81E+04 7.89E+04 7.48E+04 7.69E+04 Ser-Leu-Pro-Tyr-Ala 6.69E+05 1.68E+06 2.36E+06 9.08E+05 7.78E+05 7.40E+05 Ser-Phe-Val-Phe-Ser 9.92E+04 2.32E+05 1.18E+05 1.18E+05 8.89E+04 8.22E+04 Ser-Thr-Arg-Asp 8.63E+04 3.81E+04 2.32E+05 1.53E+05 2.26E+05 2.39E+05 Ser-Val-Lys-Arg 8.79E+05 1.17E+06 7.46E+05 8.31E+05 6.42E+05 6.96E+05 Taxifolin 3-O-acetate 3.74E+04 3.15E+04 2.58E+04 2.35E+04 2.40E+04 2.66E+04 Terpendole E 2.96E+07 3.30E+07 3.70E+07 2.70E+07 2.41E+07 2.84E+07 Terpendole G 2.27E+05 1.82E+05 3.22E+05 1.86E+05 1.53E+05 1.82E+05 Tetrahydrogeranylgeranyl diphosphate 4.62E+05 5.32E+05 5.52E+05 4.62E+05 4.11E+05 4.56E+05 Thr-Arg-Glu 9.16E+04 9.96E+04 1.14E+05 1.30E+05 1.25E+05 1.48E+05 Thr-Glu-Leu-Lys 5.98E+05 7.13E+05 5.88E+05 5.48E+05 5.06E+05 5.17E+05 Thr-Val-Leu-Thr-Ser 4.16E+06 4.70E+06 5.39E+06 4.58E+06 3.45E+06 4.67E+06 Tridihexethyl bromide 1.50E+05 3.40E+05 2.85E+05 3.34E+05 2.66E+05 2.89E+05 Trp-Glu-Gln 7.67E+05 2.95E+05 1.94E+06 1.04E+06 1.70E+06 1.64E+06 Trp-Leu-Met 3.59E+05 3.17E+05 3.63E+05 2.67E+05 2.81E+05 3.26E+05 Trp-Tyr-Tyr 8.93E+04 4.56E+05 2.18E+04 2.22E+05 1.62E+05 3.59E+05 H-Trp-ser-OH 7.76E+04 1.04E+05 1.73E+05 1.14E+05 1.83E+05 3.24E+05 Tyr-Arg-Ile-Glu 1.32E+06 6.76E+05 1.04E+06 5.35E+05 4.12E+05 1.15E+06 Tyr-Asp-Ser 1.16E+06 1.37E+06 1.62E+06 1.62E+06 1.97E+06 1.59E+06 Tyr-Gln-Ile-Arg 3.62E+06 1.41E+06 1.42E+06 1.80E+06 1.61E+06 1.96E+06 Tyr-Thr-Ala-Glu 5.09E+06 3.82E+06 5.20E+06 2.19E+06 2.66E+06 2.36E+06 Tyr-Tyr-Asn 1.50E+05 6.41E+04 1.76E+05 1.77E+05 1.33E+05 1.32E+05 UDP-N-Acetylmuramic Acid 5.23E+04 2.41E+04 3.27E+04 2.55E+04 1.39E+04 1.47E+04 Val-Asp-Ser-Arg 1.36E+05 4.96E+04 2.78E+05 1.69E+05 2.18E+05 2.90E+05 Val-Leu-Ser-Pro-Ala 2.87E+06 3.61E+06 3.39E+06 2.85E+06 2.30E+06 2.85E+06 Val-trp 9.57E+05 9.73E+05 9.48E+05 9.34E+05 9.62E+05 9.79E+05 Xanthosine 5'-(trihydrogen diphosphate) 1.18E+05 7.57E+04 6.46E+04 6.97E+04 8.07E+04 7.49E+04 Selenophosphoric acid 8.24E+05 1.36E+06 1.62E+06 1.20E+06 1.64E+06 8.67E+05 2',3'-Cyclic GMP 2.53E+05 2.98E+05 3.40E+05 3.38E+05 3.90E+05 3.43E+05 L-Arginine, N2-[(1R)-1-carboxyethyl]- 7.24E+06 6.86E+06 7.93E+06 7.80E+06 6.96E+06 1.01E+07 Ergosta-5,7,22,24(28)-tetraen-3beta-ol 1.64E+05 8.85E+04 1.70E+05 1.05E+05 1.11E+05 1.34E+05 [(2R,3R,4S,5R,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl] [hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate 4.83E+05 6.79E+05 5.94E+05 5.41E+05 1.50E+06 4.09E+05 Cyclooctatin 3.98E+04 6.79E+04 5.34E+04 2.03E+04 3.55E+04 1.81E+04 (7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoic acid 7.65E+03 7.56E+03 5.01E+03 9.72E+03 1.13E+04 4.85E+03 Phosphite 3.76E+05 4.47E+05 4.34E+05 3.26E+05 3.07E+05 5.06E+05 N-Oleoyl-L-Serine 3.72E+06 6.47E+06 5.65E+06 4.21E+06 4.21E+06 3.80E+06 17-keto-4(Z),7(Z),10(Z),13(Z),15(E),19(Z)-Docosahexaenoic Acid 1.68E+06 2.39E+06 2.13E+05 6.19E+05 2.92E+05 5.02E+05 1-Hexadecyl-sn-glycerol 3-phosphate 7.13E+06 8.26E+06 9.21E+06 6.52E+06 6.02E+06 7.42E+06 Hyperoside 3.21E+05 2.76E+03 1.75E+03 1.58E+03 6-Benzylamino-2-(2-hydroxyethylamino)-7-methylpurine 4.81E+05 2.34E+05 1.11E+06 8.94E+05 9.08E+05 9.25E+05 D-Kynurenine 2.89E+06 2.92E+06 3.61E+06 2.85E+06 2.38E+06 3.18E+06 Metoclopramide 1.12E+06 1.03E+06 4.43E+05 Montelukast sulfoxide 7.85E+04 3.24E+04 1.22E+05 6.18E+04 4.21E+04 2.58E+04 N-[(3S)-Tetrahydro-2-oxo-3-furanyl]octadecanamide 1.09E+06 2.11E+06 1.52E+06 1.23E+06 1.86E+06 1.06E+06 Scopoletin 3.74E+05 3.88E+05 4.52E+05 4.74E+05 3.97E+05 5.91E+05 [(2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate 2.13E+05 2.10E+05 2.44E+05 2.52E+05 2.82E+05 2.07E+05 10-Hydroxy-2-decenoic acid 1.94E+06 1.90E+06 1.80E+06 1.77E+06 1.74E+06 1.83E+06 Evocarpine 1.58E+05 1.49E+05 1.60E+05 1.59E+05 1.53E+05 1.78E+05 Pregnanolone 2.56E+05 2.73E+05 2.21E+05 2.63E+05 1.44E+05 3.63E+05 8-Desoxygartanin 2.08E+05 1.47E+05 1.42E+05 7.48E+04 8.41E+04 8.21E+04 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name cpd_ID HMDB CAS Fludarabine phosphate - HMDB0015206 75607-67-9 Diacerein - - 13739-02-1 | 112118-18-0 Alibendol - - 26750-81-2 Besifovir - HMDB0249090 - D-phenylalanine C02265 - 673-06-3 Isosalipurposide C16406 - 4547-85-7 Multinoside A C17563 HMDB0037935 59262-54-3 N-ethylene glycol neuraminic acid C03410 HMDB00833 1113-83-3 Confertifoline - - - LPE(0:0/20:4) - HMDB0011487 83799-24-0 (E,Z)-2-Amino-3,14-octadecadien-1-ol - - 158507-68-7 Nordihydrocapsiate - HMDB0034779 - 1-(4-Hydroxy-3-methoxyphenyl)-3-decanone C10482 HMDB0030801 27113-22-0 Methyl dioxindole-3-acetate - HMDB0038991 - Prunasin C00844 HMDB0034934 99-18-3 Threonic acid C21649 HMDB0000943 3909-12-4 3,3',4'5-Tetrahydroxystilbene C05901 HMDB0004215 10083-24-6 20-Hydroxyecdysone - HMDB0030180 5289-74-7 Ginkgolide B C07602 HMDB0036861 15291-77-7 Ephedrine C01575 HMDB0015451 299-42-3 Xanthoxylin C10726 HMDB0029645 90-24-4 Glyceraldehyde C02154 HMDB0001051 56-82-6 Palmitoylethanolamide C16512 HMDB0002100 544-31-0 L-Arginine C00062 HMDB0000517 74-79-3 gamma-Glu-Ala C03740 HMDB0006248 5875-41-2 Allantoin C01551 HMDB0000462 97-59-6 Glutathione Reducedform C00051 HMDB0000125 70-18-8 Hexanoyl Glycine - HMDB0000701 24003-67-6 N-Acetyl-L-Leucine C02710 HMDB0011756 1188-21-2 N-Propionylglycine - HMDB0000783 21709-90-0 O-Phospho-L-Serine C01005 HMDB0000272 407-41-0 Phenylacetyl-L-Glutamine C04148 HMDB0006344 28047-15-6 Terephthalic Acid C06337 HMDB0002428 100-21-0 Taurocholic acid C05122 HMDB0000036 81-24-3 Glycocholic Acid C01921 HMDB0000138 475-31-0 Enterodiol C18166 HMDB0005056 80226-00-2 4-Hydroxy-3-methoxybenzaldehyde C00755 HMDB0012308 121-33-5 Xanthine C00385 HMDB0000292 69-89-6 Adenosine 5'-Monophosphate C00020 HMDB0000045 61-19-8 Flavin Adenine Dinucleotide(FAD) C00016 HMDB0001248 146-14-5 Uridine C00299 HMDB0000296 58-96-8 D-Erythronolactone - HMDB0000349 15667-21-7 Pantothenic acid C00864 HMDB0000210 79-83-4 Taurine C00245 HMDB0000251 107-35-7 3-Hydroxy-3-Methyl Butyric Acid C20827 HMDB0000754 625-08-1 Adipic Acid C06104 HMDB0000448 124-04-9 Azelaic Acid C08261 HMDB0000784 123-99-9 Dodecanedioic Acid C02678 HMDB0000623 693-23-2 Kynurenic Acid C01717 HMDB0000715 492-27-3 Lactic acid C00186 HMDB0000190 79-33-4 Malonic acid C00383 HMDB0000691 141-82-2 Sebacate C08277 HMDB0000792 111-20-6 Shikimic Acid C00493 HMDB0003070 138-59-0 Subericacid C08278 HMDB0000893 505-48-6 TXB2 C05963 HMDB0003252 54397-85-2 LPE(18:1/0:0) C04438 HMDB0011506 - LPE(18:0/0:0) C04438 HMDB0011130 - LPE(16:0/0:0) C04438 - - LPE(14:0/0:0) C04438 HMDB0011500 - LPA(0:0/18:0) C00681 - - 9,10-DiHOME C14828 HMDB0004704 - DHA C06429 HMDB0002183 6217-54-5 Curcumin C10443 HMDB0002269 458-37-7 4-Hydroxybenzaldehyde C00633 HMDB0011718 123-08-0 Neopterin C05926 HMDB0000845 2009-64-5 Uridine 5-Monophosphate C00105 HMDB0000288 58-97-9 Β-Pseudouridine C02067 HMDB0000767 1445-07-4 N-Acetylthreonine - HMDB0062557 17093-74-2 Pantetheine C00831 HMDB0003426 496-65-1 2'-Deoxycytidine-5'-Monophosphate C00239 HMDB0001202 1032-65-1 Guanine C00242 HMDB0000132 73-40-5 D-Fructose 6-Phosphate-Disodium Salt - - 26177-86-6 Aminomalonic Acid C00872 HMDB0001147 1068-84-4 2,4-Dihydroxy Benzoic Acid - HMDB0029666 89-86-1 1,6-di-O-phosphono-D-fructose C00665 - 4937-84-2 Argininosuccinic acid C03406 HMDB0000052 2387-71-5 N-Acetylglucosamine 1-Phosphate C04256 HMDB0001367 6866-69-9 Indole-3-lactic acid C02043 HMDB0000671 1821-52-9 (3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate - HMDB0000559 3415-67-6 ADP-ribose C00301 HMDB0001178 47775-00-8 Hydroxyphenyllactic acid C03672 HMDB0000755 306-23-0 N-Acetyl-Asp-Glu C12270 HMDB0001067 3106-85-2 Indole 3-carbinol - HMDB0005785 700-06-1 2-Methylguanosine - HMDB0005862 2140-77-4 GDP-L-fucose C00325 HMDB0001095 15839-70-0 N-lactoyl-phenylalanine - HMDB0062175 183241-73-8 Malic acid C00497 HMDB0031518 636-61-3 Deoxyguanosine 5'-monophosphate(dGMP) C00362 HMDB0001044 902-04-5 Tetradecanedioic acid C11002 HMDB0000872 821-38-5 O-Acetyl-L-serine C00979 HMDB0003011 5147-00-2 Indoxylsulfuric acid - HMDB0000682 487-94-5 5-oxoETE C14732 HMDB0010217 106154-18-1 Ethylsalicylate - HMDB0029817 118-61-6 Undecanedioic acid - HMDB0000888 1852-04-6 Glycerol 3-Phosphate C03189 HMDB0000126 57-03-4 Phenoxyacetic acid C02181 HMDB0031609 122-59-8 (±)12-HETE - HMDB0006111 71030-37-0 (±)4-HDHA - - 90906-40-4 (±)9-HETE - HMDB0010222 79495-85-5 11-deoxy PGE1 - - 37786-00-8 13-oxoODE C14765 HMDB0004668 54739-30-9 14(S)-HDHA - - 119433-37-3 9,10-EpOME - - 61949-82-4 9-oxoODE C14766 HMDB0004669 54232-59-6 PGE1 C04741 HMDB0001442 745-65-3 Prostaglandin E2 C00584 HMDB0001220 363-24-6 PGK1 - - 69413-73-6 N-acetyl-beta-alanine C01073 HMDB0061880 3025-95-4 Cysteine-glutathione disulfide C00098 HMDB0000656 13081-14-6 N-acetylornithine C00437 HMDB0003357 6205-08-9 D-Glucosamine 6-Phosphate C00352 HMDB0001254 6815-93-6 3-Dehydroshikimate C02637 HMDB0000390 2922-42-1 N-Methyl-L-Glutamate C01046 HMDB0062660 35989-16-3 N-Amidino-L-Aspartate C03139 HMDB0003157 6133-30-8 Uric acid C00366 HMDB0000289 69-93-2 7-Methylguanine C02242 HMDB0000897 578-76-7 5,6-Dimethylbenzimidazole C03114 HMDB0003701 582-60-5 9(S)-HpOTrE - - 111004-08-1 Tetranor-12(R)-HETE - - 135271-51-1 Iminodiacetic acid C19911 HMDB0011753 142-73-4 cis-EODA C19418 HMDB0061650 2443-39-2 4-acetoxyphenol C13636 - 3233-32-7 DL-2-hydroxystearic acid - - 629-22-1 P-chlorophenylalanine D04143 - 7424-00-2 FFA(20:4) C00162 - 82073-91-4 p-Tolyl Sulfate - - 3233-58-7 3-hydroxyhexadecanoic acid - HMDB0061658 928-17-6 Formamide C00488 HMDB0001536 75-12-7 1,2-epoxy-3-(p-nitrophenoxy) propane C04274 - 5255-75-4 L-tyrosine methyl ester 4-sulfate C04201 - - 3-Sulfocatechol C06336 - 35857-70-6 2-(4-hydroxyphenyl) propionate C03080 HMDB0041683 938-96-5 Bis(1-inositol)-3,1'-phosphate 1-phosphate C19799 - - L-2-amino-6-oximelic acid C03871 - 75650-93-0 Cyclic ADP ribose C13050 - 119340-53-3 5-O-(1-carboxyvinyl)-3-phosphate C01269 - 89771-75-5 2-(α-D-mannosyl)-3-phosphate glyceride C11516 - - 3-(pyrazol-1-yl)-L-alanine C01162 - 2734-48-7 1-pyrroline-4-hydroxy-2-carboxylate C04282 HMDB0002234 9054-77-7 LPI(16:0) C03819 - - LPS(18:3) C05974 - - LPE(0:0/22:4) C04438 - - LPE(22:4/0:0) C04438 - - LPE(0:0/22:5) C04438 - - LPE(22:5/0:0) C04438 - - LPE(22:6/0:0) C04438 - - LPE(0:0/20:2) C04438 - - LPE(20:2/0:0) C04438 - - LPE(0:0/20:3) C04438 - - LPE(20:3/0:0) C04438 - - LPE(20:4/0:0) C04438 - - LPE(20:5/0:0) C04438 - - LPE(0:0/18:0) C04438 - - LPE(18:3/0:0) C04438 - - LPE(0:0/16:0) C04438 - - LPE(0:0/16:1) C04438 - - 2-Hydroxycaprylic acid C20793 HMDB0000711 617-73-2 2-hydroxyphenylacetic acid C05852 HMDB0000669 614-75-5 2-Methylglutaric Acid - HMDB0000422 18069-17-5 N-Cinnamylglycine - HMDB0011621 16534-24-0 2-Deoxyribose-5'-phosphate - - - Tridecanedioic acid - - 505-52-2 N-Palmitoylglycine - HMDB0013034 2441-41-0 Taurolithocholic acid - - 516-90-5 15(S)-HETrE - HMDB0005045 92693-02-2 2,3-dinor-8-iso Prostaglandin F2α C14794 - 221664-05-7 tetranor-PGFM - - 23109-94-6 9(S),12(S),13(S)-TriHOME C14833 HMDB0004708 97134-11-7 Prostaglandin B2 C05954 HMDB0004236 13367-85-6 (±)11(12)-DiHET C14774 HMDB0002314 - 11-HEDE - - 5598-37-8 (±)19(20)-EpDPE(A) - HMDB0013620 - 11-keto-TXB2 C05964 - 67910-12-7 Sorbitol 6-phosphate C01096 HMDB0005831 20479-58-7 Acetaminophen sulfate - - 10066-90-7 Glycerophospho-N-Arachidonoyl Ethanolamine - - 201738-25-2 Testosterone sulfate - HMDB0002833 651-45-6 FFA(16:2) C00162 HMDB0000477 28290-73-5 2'-O-methyluridine - HMDB0240328 2140-76-3 2-Phenylbutyric acid - HMDB0000329 90-27-7 3-Methyluridine - HMDB0004813 2140-69-4 5,6-Dihydrouridine - HMDB0000497 5627-05-4 5-Hydroxy-2'-deoxyuridine - - 5168-36-5 Acetylvaline - HMDB0011757 96-81-1 Aleuritic Acid - - 533-87-9 Cytidine 5'-monophosphate-N-acetylneuraminic acid（CMP-NANA） C00128 - 3063-71-6 Galacturonic acid C00333 HMDB0002545 685-73-4 Val-Ala C00107 - 27493-61-4 2-Hydroxyethanesulfonate C05123 HMDB0003903 107-36-8 Pro-Gly C00107 HMDB0011178 2578-57-6 Phosphonoacetic acid C05682 HMDB0004110 4408-78-0 Sucrose 6′-monophosphate C16688 - - Xanthosine-5'-monophosphate C00655 HMDB0001554 523-98-8 LPA(16:0/0:0) C04036 HMDB0007853 22002-85-3 FFA(22:4) C16527 HMDB0002226 28874-58-0 Ampicillin C06574 HMDB0014559 69-53-4 Cytidine 2',3'-Cyclic Monophosphoric Acid C02354 HMDB0011691 633-90-9 Glu-Val C00107 HMDB0028832 5879-06-1 N-Acetyl-5-Aminosalicylic Acid - HMDB0060602 51-59-2 Barbital D01740 HMDB0062202 57-44-3 Androsterone sulfate - HMDB0002759 2479-86-9 Gemfibrozil C07020 - 25812-30-0 Hydroxypiperazic acid C00739 - - Cyclic di-AMP C20565 - 54447-84-6 His-Ser C00107 HMDB0028894 21438-60-8 3-(2-Hydroxyphenyl)propanoic acid C01198 HMDB0033752 495-78-3 Dihydrocaffeic acid C10447 HMDB0000423 1078-61-1 Isokaurenoic acid C11874 - 6730-83-2 Piperonylic acid C04599 HMDB0032613 94-53-1 3-Hydroxy-4-methoxybenzoic acid C06672 HMDB0060003 645-08-9 2-Naphthoic acid C14101 - 93-09-4 2-Hexyldecanoic acid - - 25354-97-6 DL-O-tyrosine C00082 HMDB0006050 2370-61-8 4,4'-Dihydroxybenzophenone C14220 - 611-99-4 7,8,4'-Trihydroxyisoflavone C01477 HMDB0033860 75187-63-2 Prostaglandin B1 C00959 HMDB0002982 13345-51-2 8-iso Prostaglandin E1 - HMDB0004686 21003-46-3 20-Hydroxy Prostaglandin F2α - - 57930-92-4 2,6-Di-tert-butyl-4-(hydroxymethyl)phenol - HMDB0032048 88-26-6 9,10-dihydroxystearic acid C19622 - 120-87-6 N-Myristoylglycine - HMDB0013250 14246-55-0 Trolox - - 53188-07-1 beta-Muricholic acid C17726 - 2393-59-1 Glycodeoxycholic acid C05464 HMDB0000631 360-65-6 Asn-Glu C00107 HMDB0028730 20917-58-2 Asn-Asp C00107 - - Asp-Gly C00107 - 3790-51-0 Ribonic Acid C01685 HMDB0000867 642-98-8 4-Hydroxy-L-Glutamic Acid C03079 - 3913-68-6 Val-Thr C00107 - 72636-02-3 O-Phospho-L-threonine C12147 HMDB0011185 1114-81-4 Morpholine ethanesulfonic acid - - 4432-31-9 Sulfoacetic acid C14179 - 123-43-3 Val-Hyp C00107 - - 2-methyl citric acid - HMDB0000379 6061-96-7 cyclo(gly-glu) C00107 - 16364-35-5 α-Hydroxyglutaric Acid (sodium salt) C03196 - 40951-21-1 Pyrimidine-4-carboxylic acid - - 31462-59-6 cyclo(glu-glu) C00107 - 16691-00-2 Met-Val C00107 - 14486-13-6 Ile-Val C00107 - 41017-96-3 Trp-Asn C00107 - 175027-11-9 Asp-Leu C00107 - 3062-14-4 2-Hydroxy-3-Methyl Butanoic Acid C20827 - 4026-18-0 Val-Phe-Ala C00098 - - Homovanillic Acid sulfate (sodium salt) - HMDB0011719 38339-06-9 Hydrochlorothiazide C07041 HMDB0001928 58-93-5 4-Acetylaminobenzoic acid - - 556-08-1 4-toluenesulfonic acid C06677 - 104-15-4 DL-phenylmercapto uric acid - - 20640-68-0 3-Hydroxyvalproic acid C16651 HMDB0013899 58888-84-9 Inositol 1-phosphate - HMDB00213 15421-51-9 Pyrazine-2-carboxylic acid C19915 HMDB0059734 98-97-5 3-Hydroxy-L-phenylalanine C20807 - 587-33-7 Lys-Gly C00107 HMDB0028951 7563-03-3 Gly-Glu C00107 - 7412-78-4 Pro-Asp C00107 - 85227-98-1 γ-Glu-Met C00107 - 17663-87-5 2-O-α-D-glucopyranosyl-L-ascorbic acid C18339 - 129499-78-1 4-Nitrobenzoic acid C18625 - 62-23-7 10-Hydroxystearic Acid - HMDB0037396 638-26-6 2-Heptyl-4-hydroxyquinoline n-oxide C04284 - 341-88-8 Arg-Phe-Val-Asp C00098 - - o-Methoxyphenyl sulfate - - 3233-59-8 CMPF - HMDB0061112 86879-39-2 p-Cresol glucuronide - - 17680-99-8 Isopropyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate - - - Glycochenodeoxycholic acid 7-sulfate - HMDB0002496 67030-55-1 N-Acetylaminooctanoic acid - - 5440-37-9 Arachidonoyl LPA C00681 - - Beraprost - - 88430-50-6 9,10-Epoxy-18-hydroxyoctadecanoic acid - - 3233-92-9 5-Acetylamino-6-formylamino-3-methyluracil C16365 - 85438-96-6 5-Hydroxyisourate C11821 HMDB0030097 6960-30-1 21-Hydroxypregnenolone - HMDB0004026 1164-98-3 6-Phosphogluconic acid C00345 HMDB0001316 921-62-0 LPE(0:0/14:0) C04438 HMDB0011470 - FFA(20:5) C06428 HMDB0001999 10417-94-4 FFA(15:0) C16537 HMDB0000826 1002-84-2 FFA(18:0) C01530 HMDB0000827 57-11-4 FFA(22:5) C00162 - 2234-74-4 LPE(20:1/0:0) C04438 HMDB0011512 - LPE(18:2/0:0) C04438 HMDB0011507 85046-18-0 LPE(22:3/0:0) C04438 - - LPS(20:0) C05974 - - DL-Homocysteine C00155 HMDB0000742 454-29-5 L-Glycine C00037 HMDB0000123 56-40-6 L-Cystine C00491 HMDB0000192 56-89-3 Lysine C00047 HMDB0000182 56-87-1 L-Ornithine C00077 HMDB0000214 70-26-8 L-Citrulline C00327 HMDB0000904 372-75-8 L-Glutamic Acid C00025 HMDB0000148 56-86-0 Histidine C00135 HMDB0000177 71-00-1 L-Methionine C00073 HMDB0000696 63-68-3 L-Phenylalanine C00079 HMDB0000159 63-91-2 L-Tryptophan C00078 HMDB0000929 73-22-3 5-Hydroxy-L-Tryptophan C01017 HMDB0015571 4350-09-5 5-Oxoproline C02237 HMDB0000805 149-87-1 Asp-Phe C00107 HMDB0000706 13433-09-5 Glutathione Oxidized C00098 - 27025-41-8 Gly-Pro C00107 HMDB0000721 704-15-4 L-Asparagine Anhydrous C00152 HMDB0000168 70-47-3 L-Cysteine C00097 HMDB0000574 52-90-4 L-Dopa C00355 HMDB0000181 59-92-7 L-Glutamine C00064 HMDB0000641 56-85-9 L-Homocitrulline C02427 HMDB0000679 1190-49-4 L-Theanine C01047 HMDB0034365 3081-61-6 N6-Acetyl-L-Lysine C02727 HMDB0000206 692-04-6 N-Acetylaspartate C01042 HMDB0000812 997-55-7 N-Acetylcysteine C06809 HMDB0001890 616-91-1 Gly-Leu C02155 HMDB0000759 869-19-2 Nα-Acetyl-L-Arginine - HMDB0004620 155-84-0 Phe-Phe C00107 HMDB0013302 2577-40-4 S-(5-Adenosy)-L-Homocysteine C00021 HMDB0000939 979-92-0 S-Sulfo-L-Cysteine C05824 HMDB0000731 1637-71-4 Tyramine C00483 HMDB0000306 51-67-2 Urea C00086 HMDB0000294 57-13-6 N-Acetylhistamine C05135 HMDB0013253 673-49-4 P-Coumaric Acid C00811 HMDB0002035 501-98-4 1,4-Dihydro-1-Methyl-4-Oxo-3-Pyridinecarboxamide C05843 HMDB0004194 769-49-3 4-Pyridoxic Acid C00847 HMDB0000017 82-82-6 Theobromine C07480 HMDB0002825 83-67-0 Choline C00114 HMDB0000097 62-49-7 Putrescine C00134 HMDB0001414 110-60-1 Biotin C00120 HMDB0000030 58-85-5 1-Methylhistidine C01152 HMDB0000001 332-80-9 1-Methylxanthine C16358 HMDB0010738 6136-37-4 3'-Adenylic acid C01367 HMDB0003540 84-21-9 3-Methylxanthine C16357 HMDB0001886 1076-22-8 5-Methylcytosine C02376 HMDB0002894 554-01-8 5-Methyluridine - HMDB0000884 1463-10-1 7-Methylxanthine C16353 HMDB0001991 552-62-5 Adenine C00147 HMDB0000034 73-24-5 Adenosine C00212 HMDB0000050 58-61-7 Adenosine 5'-Diphosphate（ADP） C00008 HMDB0001341 58-64-0 Cytidine C00475 HMDB0000089 65-46-3 Cytidine-5-Monophosphate C00055 HMDB0000095 63-37-6 Cytosine C00380 HMDB0000630 71-30-7 Guanosine 3',5'-Cyclic Monophosphate C00942 HMDB0001314 7665-99-8 Guanosine-5'-monophosphate C00144 HMDB0001397 85-32-5 Hypoxanthine C00262 HMDB0000157 68-94-0 Nicotinamide Adenine Dinucleotide C00003 HMDB0000902 53-84-9 Purine C15587 HMDB0001366 120-73-0 Pyrimidine C00396 HMDB0003361 289-95-2 Thymine C00178 HMDB0000262 65-71-4 Uracil C00106 HMDB0000300 66-22-8 Β-Nicotinamide Mononucleotide C00455 HMDB0000229 1094-61-7 Epinephrine C00788 HMDB0000068 51-43-4 L-Thyroxine C01829 HMDB0000248 51-48-9 Metanephrine C05588 HMDB0004063 5001-33-2 Succinic Acid C00042 HMDB0000254 110-15-6 Mannitol C00392 HMDB0000765 69-65-8 Ribitol C00474 HMDB0000508 488-81-3 Pyridoxine C00314 HMDB0000239 65-23-6 Nicotinic Acid C00253 HMDB0001488 59-67-6 Riboflavin C00255 HMDB0000244 83-88-5 Trigonelline C01004 HMDB0000875 535-83-1 3-Indolebutyric Acid C11284 HMDB0002096 133-32-4 3-Indolepropionic Acid C22236 HMDB0002302 830-96-6 Indole-3-Carboxaldehyde C08493 HMDB0029737 487-89-8 Methyl Indole-3-Acetate C20635 HMDB0029738 1912-33-0 2-Aminoethanesulfinic Acid C00519 HMDB0000965 300-84-5 3,4,5-Trimethoxycinnamic Acid - HMDB0002511 90-50-6 4-Guanidinobutyric Acid C01035 HMDB0003464 463-00-3 5-Aminovaleric Acid C00431 HMDB0003355 660-88-8 Creatinine C00791 HMDB0000562 60-27-5 Dl-2-Aminooctanoic Acid - HMDB0000991 644-90-6 Guanidineacetic Acid C00581 HMDB0000128 352-97-6 Guanidinoethyl Sulfonate C01959 HMDB0003584 543-18-0 Hippuric Acid C01586 HMDB0000714 495-69-2 L-kynurenine C00328 HMDB0000684 2922-83-0 Maleic Acid C01384 HMDB0000176 110-16-7 N'-Formylkynurenine - HMDB0001200 1022-31-7 2-(Formylamino)Benzoic Acid C05653 HMDB0004089 3342-77-6 Cyclic Amp C00575 HMDB0000058 60-92-4 N6-Succinyl Adenosine - HMDB0000912 4542-23-8 2-(Dimethylamino)Guanosine - HMDB0004824 2140-67-2 8-Hydroxy-2-Deoxyguanosine - HMDB0003333 88847-89-6 L-Homoarginine C01924 HMDB0000670 156-86-5 Arainosine - HMDB0247301 7013-16-3 4-Hydroxyretinoic Acid C16677 HMDB0006254 66592-72-1 Piperidine acid C00408 HMDB0005960 3105-95-1 5'-Deoxy-5'-(Methylthio) Adenosine C00170 HMDB0001173 2457-80-9 Cys-Gly C01419 HMDB0000078 19246-18-5 Imidazoleacetic acid C02835 HMDB0002024 645-65-8 Sn-Glycero-3-Phosphocholine C00670 HMDB0000086 28319-77-9 Indole C00463 HMDB0000738 120-72-9 LPC(0:0/18:2) C04230 - - 2-Hydroxycinnamic acid C01772 HMDB0002641 614-60-8 Carnitine C2:0 C02571 HMDB0000201 14992-62-2 Thiamine C00378 HMDB0000235 - DL-Carnitine C00318 HMDB0000062 406-76-8 6-Dimethylaminopurine - HMDB0000473 938-55-6 Indole-3-acetamide C02693 HMDB0029739 879-37-8 Triethyl-phosphate - HMDB0012228 78-40-0 7,8-dihydro-L-Biopterin C02953 HMDB0000038 6779-87-9 2-Pyrrolidinone - HMDB0002039 616-45-5 Pterine C00715 HMDB0000802 2236-60-4 Spermidine C00315 HMDB0001257 124-20-9 Phe-Pro - HMDB0011177 7669-65-0 Ethyl-dodecanoate - HMDB0033788 106-33-2 L-Tyrosine methyl ester C03404 HMDB0029217 1080-06-4 Butylamine - HMDB0031321 109-73-9 Methylcysteine C22040 HMDB0002108 7728-98-5 Barbituric acid C00813 HMDB0041833 67-52-7 Pyrrolidine - HMDB0031641 123-75-1 1-Naphthylamine C14790 - 134-32-7 6-Methylnicotinamide - HMDB0013704 6960-22-1 (R)-2-Hydroxy-3-phenylpropionic acid C05607 HMDB0000563 7326-19-4 N-Cyclohexylformamide C11519 - 766-93-8 Gly-Phe C00107 HMDB0028848 3321-03-7 SPH(d18:0) C00836 HMDB0000269 764-22-7 3'-UMP C01368 HMDB0060282 35170-03-7 O-Succinyl-L-Homoserine C01118 - 1492-23-5 Cytidine 5'-Diphosphocholine C00307 HMDB0001413 987-78-0 N-Alpha-Acetyl-L-Asparagine - HMDB0006028 4033-40-3 Phosphocholine C00588 HMDB0001565 3616-04-4 2,4-Dihydroxypteridine C03212 - 487-21-8 Cortisol C00735 HMDB0000063 50-23-7 Pyrocatechol C00090 HMDB0000957 120-80-9 Cortisol 21-Acetate C02821 - 50-03-3 3-Methoxytyramine C05587 HMDB0000022 554-52-9 Pyridoxal C00250 HMDB0001545 66-72-8 Acetylcholine C08201 HMDB0000895 51-84-3 Creatine C00300 HMDB0000064 57-00-1 γ-Glu-Cys C00669 HMDB0001049 636-58-8 Trp-Glu C00107 HMDB0029082 36099-95-3 Salicylaldehyde C06202 HMDB0034170 90-02-8 Benzaldehyde C00261 HMDB0006115 100-52-7 Biliverdin C00500 HMDB0001008 114-25-0 N,N-diacetyl-O-methylhydroxylamine - - 128459-09-6 Hydroxyquinoline C19434 - 148-24-3 9-Fluorenol C06711 HMDB0059803 1689-64-1 Gly-Val C00107 HMDB0028854 1963-21-9 2'-O-methyladenosine C04779 HMDB0004326 2140-79-6 Oxypurinol C07599 HMDB0000786 2465-59-0 Carnitine C12:0 C02301 - 25518-54-1 Ethylazine C18644 - 2642-71-9 Allopurinol D00224 HMDB0014581 315-30-0 PC(12:0/12:0) C00157 - 3436-44-0 Methoxyindoleacetic Acid C05660 HMDB0004096 3471-31-6 2-Aminomethylpyrimidine - - 75985-45-4 15-Hydroxy-5,8,11,13-eicosatetraenoic acid - HMDB0244669 - 3-Carboxypropyltrimethylammonium - - 6249-56-5 1-methylhistamine C05127 HMDB0000898 501-75-7 Linoleylethanolamide - - 68171-52-8 Creatine phosphate C02305 HMDB0001511 922-32-7 PC(16:0/2:0) C00157 - - Butenoyl-PAF - - 474944-25-7 N-Methyl-α-aminoisobutyric acid C15987 HMDB0002141 2566-34-9 N-Acetylcadaverine - HMDB0002284 32343-73-0 Biotinamide C01893 HMDB0001458 6929-42-6 Hypotaurocyamine C02419 - 1119-54-6 5'-Deoxy-5'-fluoroadenosine C19766 - 731-98-6 (1R,6S)-6-amino-5-oxocyclohexyl-2-ene-1-carboxylic-acid-ester C19831 - - N-acetylpyrrolidine - - 4030-18-6 1,3-Dicyclohexylurea - - 2387-23-7 3-Amino-2-naphthoic acid - - 5959-52-4 Heterodendrin C08332 - 66465-22-3 2,4-diacetamino-2,4,6-triphenoxy-D-mannopyranose C20424 - - 2-Mercaptobenzothiazole C14437 - 149-30-4 20,26-dihydroxyecdysone C16500 - 19458-46-9 S-Adenosyl-L-Methionine C00019 HMDB0001185 17176-17-9 Carnitine C6:0 C02301 HMDB0000705 6418-78-6 Leu-Gly C00107 - 686-50-0 Pregnanetriol C14680 - 1098-45-9 LPC(0:0/22:4) C04230 - - LPC(0:0/22:5) C04230 - - LPC(0:0/20:2) C04230 - - LPC(0:0/20:3) C04230 - - LPC(20:3/0:0) C04230 - - LPC(0:0/20:4) C04230 - - LPC(20:4/0:0) C04230 - - LPC(0:0/20:5) C04230 - 112667-21-7 LPC(18:0/0:0) C04230 HMDB0010384 19420-57-6 LPC(18:1/0:0) C04230 HMDB0010385 3542-29-8 LPC(18:2/0:0) C04230 HMDB0010386 - LPC(18:3/0:0) C04230 HMDB0010387 - Carnitine C20:1-OH C02301 - - Carnitine C20:1 C02301 - - Carnitine C18:3-OH C02301 - - Carnitine C18:0 C02301 - - Carnitine C18:1 C02301 - - Carnitine C18:2 C02301 HMDB0006469 36816-10-1 Carnitine C14:1-OH C02301 - - Carnitine C8:0 C02301 - 3671-77-0 Carnitine C5:DC C02301 - - Carnitine C7:1 Isomer1 C02301 - - Carnitine C7:1 C02301 - - Carnitine ph-C1 C02301 - 105450-08-6 Carnitine C4:DC C02301 - - Carnitine C5:1 C02301 HMDB0002366 - Octadecadienamide - - - MG(20:4/0:0/0:0) C01885 - - FFA(20:6) C00162 - - (2S,3S)-butane-2,3-diol C03046 - 19132-06-0 Pantothenol C05944 HMDB0004231 16485-10-2 Diethyl-2-methyl-3-oxosuccinate C04067 HMDB0032306 759-65-9 N'-Methyl-2-pyridone-5-carboxamide C05842 HMDB0004193 701-44-0 1-Methyl-hydantoin C02565 HMDB0003646 616-04-6 L-Phenylephrine C07441 HMDB0002182 59-42-7 Quinoline-4-carboxylic acid C06414 - 486-74-8 SDMA - HMDB0003334 30344-00-4 Cis-4-Hydroxy-L-Proline C03440 HMDB0060460 2584-71-6 Methylguanidine C02294 - 21770-81-0 3-Methoxyphenylacetic acid - HMDB0059969 1798-09-0 Isocytosine - - 108-53-2 Leu-Val C00107 HMDB0028942 13588-95-9 Glu-Met C00107 HMDB0028825 4423-22-7 Met-Glu C00107 - 14517-44-3 Phe-Val C00107 HMDB0029008 3918-90-9 Carnitine C9:1 C02301 - - Carnitine C16:2-OH C02301 - - Carnitine C14:2 Isomer 1 - - - Carnitine C16:2 Isomer1 - - - Carnitine C18:1-OH C02301 - - Carnitine C14:2:DC C02301 - - Carnitine C20:1 Isomer 1 - - - 16-Hydroxyestrone C05300 HMDB0000335 18186-49-7 Desoxycortone C03205 HMDB0000016 64-85-7 Hydroxyprogesterone C01176 HMDB0000374 68-96-2 11-Dehydrocorticosterone C05490 HMDB0004029 72-23-1 Caldine C03375 - 56-18-8 Glu-Glu C05282 HMDB0011737 3929-61-1 Carnitine C16-OH C02301 HMDB0013336 195207-76-2 LPC(O-16:0) C13903 - 52691-62-0 LPC(O-18:1) C04230 - 87907-66-2 N6,N6,N6-Trimethyl-L-lysine C03793 - 23284-33-5 N,N-Dimethylarginine C03626 HMDB0001539 30315-93-6 Carnitine C3:0 C03017 HMDB0000824 17298-37-2 Leu-Val-Ser C00098 - - Gly-Gly-Phe C00098 - 6234-26-0 Glu-Glu-Ile C00098 - - LPC(0:0/15:0) C04230 - 108273-89-8 Methyldopa C07194 HMDB0011754 555-30-6 (E)-Guggulsterone - - 39025-24-6 17α-Hydroxy-Pregnenolone C05138 HMDB0000363 387-79-1 1-Methylinosine C12317 HMDB0002721 2140-73-0 2-O-Methylcytosine C02376 HMDB0004339 3289-47-2 2'-O-Methylguanosine - - 2140-71-8 2-Phenylglycine - HMDB0002210 2835-06-5 3-Amino-2-piperidinone - HMDB0000323 1892-22-4 2,6-Diamino-5-hydroxyhexanoic acid C16741 - 6000-08-4 Acrylamide C01659 HMDB0004296 79-06-1 Ala-Phe C00107 HMDB0028694 3061-90-3 Cyromazine C14147 HMDB0029862 66215-27-8 Cytidine 5'-diphosphate C00112 - 63-38-7 Guanidine C17349 HMDB0001842 113-00-8 Jasmone C08490 HMDB0035601 488-10-8 Medroxyprogesterone C07119 HMDB0001939 520-85-4 N1,N8-diacetylspermidine - HMDB0041947 82414-35-5 N4-Acetylcytidine C22293 HMDB0005923 3768-18-1 Nicotinamide riboside chloride - HMDB0000855 23111-00-4 Quinoline-2-carboxylic acid C06325 HMDB0000842 93-10-7 Proline betaine C10172 HMDB0004827 471-87-4 Synephrine C04548 HMDB0004826 94-07-5 Bicine - HMDB0011727 150-25-4 alpha-Asarone C17846 HMDB0031469 2883-98-9 Cyperotundone C17501 - 3466-15-7 Nootkatone C17914 - 4674-50-4 Zerumbone C20262 - 471-05-6 Asp-Tyr C00107 HMDB0028765 22840-03-5 DL-Aminopimelic acid - HMDB0034252 627-76-9 Glu-Leu C00107 HMDB0028823 2566-39-4 Glu-Tyr C00107 HMDB0028831 3422-39-7 Gly-His C00107 HMDB0028843 - Prolyl-Histidine - HMDB0029019 92027-43-5 Ser-Leu C00107 HMDB0029043 6665-16-3 Ser-Phe C00107 HMDB0029046 16875-28-8 Tyr-Leu C00107 HMDB0029109 17355-10-1 2-Hydroxy-2-methylbutanenitrile C11118 HMDB0060309 4111-08-4 Caffeine C07481 HMDB0001847 58-08-2 N(Alpha)-Acetyl-Epsilon-(2-Propenal)Lysine - - 99124-74-0 Cyclo(Pro-Glu) C00107 - - Cyclo(Pro-Val) C00107 - 5654-87-5 N-MethyTrans-4-Hydroxy-Proline - - 4252-82-8 Ser-Ile C00107 - 91086-51-0 2'-Deoxyinosine-5'-monophosphate C06196 HMDB0006555 3393-18-8 N6-(2-Hydroxyethyl)adenosine - - 4338-48-1 2-Aminopurine - - 452-06-2 2-Hydroxyadenosine C08432 - 1818-71-9 N6-(4-hydroxybenzyl)adenine - - 80054-30-4 7-(alpha-D-glucosyl)-N(6)-isopentenyladenine - - - Ribosyladenosine - - - S-(Methyl)glutathione C11347 - 2922-56-7 2-Methyl-1-Pyrroline C20808 - 872-32-2 Hydroxyurea C07044 HMDB0015140 127-07-1 N6-Isopentenyladenosine D05726 - 7724-76-7 Tetramethylthiuram disulfide D06114 - 137-26-8 N-Formylglycine - - 2491-15-8 2,3-Diaminopropionic acid C06393 - 515-94-6 2,4-Dihydroxypyridine C01059 - 626-03-9 D-Ornithine C00515 - 348-66-3 1-Aminocyclohexanecarboxylic acid - - 2756-85-6 DL-2-Methylglutamic acid C01046 - 71-90-9 Dehydroascorbic acid C05422 HMDB0001264 490-83-5 Ancitabine D01651 - 31698-14-3 Xanthosine C01762 HMDB0000299 146-80-5 Estriol C05141 HMDB0000153 50-27-1 12-Hydroxyoctadecanoic acid - HMDB0061706 106-14-9 Phenethylamine C05332 HMDB0012275 64-04-0 Hexaethylene-glycol - HMDB0061822 2615-15-8 N-(3-Hydroxypropyl)phthalimide - - 883-44-3 3-Aminoquinoline C09183 HMDB0036827 580-17-6 3,6,9,12,15,18,21-Heptaoxatricosane-21,23-diol - - 5117-19-1 3-(3,4,5-trimethoxyphenyl)propionic acid - HMDB0030254 25173-72-2 2'-hydroxy-4,4',6'-trimethoxychalcone - HMDB0033586 3420-72-2 11-Carbonyl-beta-acetyl-boswellic acid - HMDB0036672 67416-61-9 11beta-Hydroxyprogesterone C05498 HMDB0004031 600-57-7 Pseudotropine C00729 - 135-97-7 Caprolactam C06593 HMDB0062769 105-60-2 2,2-Dihydroxymethyl-1-azabicyclo[2.2.2]octan-3-one - - 5608-24-2 Ethyl hydrogen malonate - HMDB0000576 1071-46-1 Meestrol C07618 HMDB0015446 72-33-3 2-Amino-4-methylphenol - - 95-84-1 17-Epistriol - HMDB0000356 1228-72-4 2-Amino-3-phosphonopropionic acid C05672 HMDB0000370 5652-28-8 Inositol 1,3,4-trisphosphate C01243 HMDB0001143 98102-63-7 CAY10577 - - 300675-28-9 CCT-018159 - - 171009-07-7 N-Acetyl-L-methionine C02712 HMDB0011745 65-82-7 6-Diazo-5-oxo-L-norleucine - - 157-03-9 Lys-Pro C00107 - 52766-27-5 Lys-Ser C00107 - 6665-19-6 N(6),N(6)-Dimethyl-L-lysine - - 2259-86-1 Pro-Arg C00107 - 2418-74-8 Glu-His C00107 HMDB0028821 37460-15-4 Lys-Val C00107 HMDB0028964 20556-11-0 Triethanolamine C06771 HMDB0032538 102-71-6 γ-Glu-Lys C00107 - 5891-53-2 (R)-(-)-1-Amino-2-propanol C03194 - 2799-16-8 O-Acetyl-L-homoserine C01077 - 7540-67-2 Pro-Ser C00107 - 71835-80-8 4-Aminomethylpyrimidine - - 45588-79-2 3-Guanidinopropionic acid C03065 HMDB0013222 353-09-3 His-Pro C00107 HMDB0028893 20930-58-9 Phe-Asp C00107 - 22828-05-3 Pro-Ala C00107 - 6422-36-2 N-acetyl-D-Lactosamine C00611 HMDB0001542 32181-59-2 Ala-Pro C00107 HMDB0028695 13485-59-1 Ser-Pro C00107 - 23827-93-2 6-aminonicotinamide - - 329-89-5 Asp-Arg C00107 - - Lys-Ile C00107 HMDB0028954 20556-13-2 N1-Acetylspermidine - - 34450-16-3 Ectoine C06231 - 96702-03-3 Ser-Val C00107 HMDB0029052 51782-06-0 Phe-Lys C00107 - 6456-72-0 Lys-Met C00107 - 97729-52-7 Ala-Val C00107 - 3303-45-5 Tyr-Ser C00107 - 13588-99-3 Alternaria C16838 HMDB0030831 641-38-3 Tyr-Asn C00107 - 151145-11-8 Ile-Gln C00107 - 59652-60-7 Ile-Ser C00107 - 6403-14-1 Tyr-Asp C00107 - 87085-11-8 Tyr-Glu C00107 - 2545-89-3 Val-Glu C00107 HMDB0029126 3062-07-5 Pro-Met C00107 - 52899-08-8 2,2'-Cyclouridine - - 3736-77-4 3-aminobenzamide - - 3544-24-9 2'-Deoxyadenosine C00559 HMDB0000101 958-09-8 3-pyridine-aldoxime - - 1193-92-6 Cyclo(Ala-Pro) C00107 - 36357-32-1 Tyr-Pro C00107 - 51871-47-7 Phe-Gly C00107 - 721-90-4 Tyr-Tyr C00107 - 1050-28-8 Tetraethylene-glycol - HMDB0094708 112-60-7 Trp-Asp C00107 - 71835-78-4 Leu-Met C00107 - 36077-39-1 cyclo(pro-pro) C00107 - - Phe-Tyr C00107 - 17355-18-9 Ile-Ile C00107 - 42537-99-5 Heptethylene-glycol - HMDB0061835 5617-32-3 Trp-Pro C00107 - 38136-75-3 Tyr-Thr C00107 - - Asn-Met C00107 - - Gly-Tyr C00107 HMDB0028853 658-79-7 Imidazole-4-methanol - - 822-55-9 2-Amino-2-methyl-1,3-propanediol - - 115-69-5 4-Amino-3-hydroxybutyric acid C03678 - 924-49-2 Cycloleucine C03969 HMDB0062225 52-52-8 Raphanusamic acid - HMDB0041280 98169-56-3 2-(Acetylamino)-2-deoxy-A-D-glucopyranose C00140 - 10036-64-3 Ala-His C00107 HMDB0028689 3253-17-6 Pro-Asn C00107 - 107856-82-6 Phe-Ser C00107 HMDB0029004 16053-39-7 Phe-Ala C00107 HMDB0028988 3918-87-4 Tyr-Gly C00107 HMDB0029105 673-08-5 Lys-Thr C00107 HMDB0028961 97791-84-9 Lys-Asn C00107 HMDB0028946 19908-06-6 Asp-Glu C00107 - 6157-06-8 Phe-Hyp - HMDB0011176 90965-82-5 Phe-Ile C00107 HMDB0028998 22951-94-6 2-Aminoadenosine C00939 - 2096-10-8 Lys-Phe C00107 HMDB0015371 6235-35-4 Met-Phe C00107 - 14492-14-9 Phe-His C00107 HMDB0028997 33367-37-2 Tyr-His C00107 - 3788-44-1 His-Tyr C00107 HMDB0028897 35979-00-1 20beta-Dihydroprogesterone C04042 HMDB0003069 145-15-3 7-Amino-4-methylcoumarin C01386 HMDB0247230 26093-31-2 Methyl caffeate - - 3843-74-1 Quinmerac C18891 HMDB0257043 90717-03-6 4-Hydroxyquinoline C06343 - 611-36-9 Ensulizole D10005 - 27503-81-7 2-Chloro-5-nitro-N-phenylbenzamide - HMDB0252995 22978-25-2 3-Bromotyrosine C17079 HMDB0005874 54788-30-6 Ammelide C08734 - 645-93-2 2-Thio-PAF - - - (2E,4E)-6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid C08062 - - Hydromorphone - HMDB0014472 466-99-9 2-Hexadecanoylthio-1-ethylphosphorylcholine - - 60793-01-3 LPC(22:3) C04230 - - PAF C-18:1 C04230 HMDB0011148 85966-90-1 LPC(0:0/22:6) C04230 - - MG(0:0/20:4/0:0) C01885 - - PC(O-1:0/O-16:0) C00157 - - Testosterone C00535 HMDB0000234 58-22-0 Cortisone C00762 HMDB0002802 53-06-5 Piperine C03882 HMDB0029377 94-62-2 gamma-Glu-Phe C00107 HMDB0000594 7432-24-8 n-Oleoylethanolamine C20792 HMDB0002088 111-58-0 Carnitine C4-OH C02301 - - 4-Oxoretinoic acid C16678 HMDB0006280 64907-22-8 Carnitine C14:0 - - - FFA(12:1) - HMDB0000529 2430-94-6 2-Hydroxy-4-(methylthio)butyric acid - HMDB0037115 120-91-2 Codeine-6-glucuronide C16577 HMDB0060464 20736-11-2 Cytochalasin B C19954 - 14930-96-2 | 11032-95-4 Ergocornine C09162 - 564-36-3 Ergocristine C09164 - 511-08-0 Ergosine C09167 - 561-94-4 Galantamine C08526 HMDB0014812 357-70-0 Actarit - HMDB0247976 - 2,6-Di-tert-butylhydroquinone - HMDB0040178 2444-28-2 CP 47,497-C8-homolog C-8-hydroxy metabolite - - - L-Phenylalaninol - HMDB0253909 - 2-Hydroxyfluorene C14460 HMDB0013163 2443-58-5 2-Phenylpropanal - HMDB0031626 93-53-8 4,5-Dihydroxynaphthalene-2,7-disulfonic acid - - 148-25-4 4,5-Phenanthrenedicarboxylic acid C18252 - 5462-82-8 N-Isopropylterephthalamic acid - HMDB0060608 - 4-[[4-(4-Chlorophenyl)-2-thiazolyl]amino]phenol - - 312636-16-1 Arsanilic acid - - 98-50-0 4-Hydroxybenzenesulfonic acid - - 98-67-9 5,5'-Dehydrodivanillate C18347 - 2134-90-9 Amarogentin C09767 - - 2,2-Diphenylglycine - - 3060-50-2 3-(dimethylamino)-N-(3-(4-hydroxybenzamido)-4-methylphenyl)benzamide - - 208260-29-1 Buprenorphine C08007 HMDB0015057 52485-79-7 Candesartan cilexetil C07709 - 145040-37-5 Chlordiazepoxide - HMDB0014618 58-25-3 Curcumin II 3.08E+07 HMDB0039610 91884-87-6 Norcyclobenzaprine - HMDB0060948 303-50-4 Dihydroconiferyl alcohol C10448 HMDB0303757 - Dimethyl phthalate C11233 HMDB0251388 - Dipentyl phthalate C14300 HMDB0251441 - Emodin C10343 HMDB0035214 518-82-1 Enilconazole C18739 HMDB0031794 35554-44-0 Epinephrine bitartrate - - 51-42-3 | 24351-82-4 | 16536-89-3 Esprocarb - - 85785-20-2 Fenhexamid C18593 HMDB0252201 - Fexofenadine C06999 HMDB0005030 83799-24-0 | 138452-21-8 Gliclazide - HMDB0015252 21187-98-4 Hexylresorcinol - HMDB0032567 136-77-6 Hydramethylnon - - 67485-29-4 Hypericin C07606 HMDB0034271 548-04-9 Isocarboxazid - HMDB0015377 59-63-2 Lidocaine C07073 HMDB0014426 137-58-6 Losartan Carboxaldehyde - HMDB0013846 114798-36-6 Lucidin - - 478-08-0 Menadiol disulfate - HMDB0032723 29520-22-7 (S)-3-(2-Methylphenoxy)propane-1,2-diol - HMDB0247880 - Metaxalone C07934 HMDB0014798 1665-48-1 1400W dihydrochloride - - 214358-33-5 N-(2-Cyclohexyloxy-4-nitrophenyl)methanesulfonamide C71930 - 123653-11-2 N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-3,4-dimethoxyphenyl)prop-2-enimidic acid - HMDB0135468 - N-(2,2,2-Trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide C15630 HMDB0258663 - N-Cyclopropyl-11-(2-hexyl-5-hydroxyphenoxy)undecanamide - - 869376-90-9 Nitazoxanide - HMDB0014649 55981-09-4 Oxadiazon C18496 - 19666-30-9 Pyributicarb C18422 - 88678-67-5 Telmisartan C07710 HMDB0015101 144701-48-4 Triphenylphosphine oxide - - 791-28-6 3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl ester - - - 2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol - HMDB0039248 52190-21-3 Pinoresinol C05366 - 487-36-5 Podofilox C10874 HMDB0015310 477-47-4 Theophylline C07130 HMDB0001889 58-55-9 (20S)-17,20-dihydroxypregn-4-en-3-one C04518 HMDB0011653 652-69-7 Dihydroroseoside - HMDB0040614 142235-28-7 [6]-Gingerdiol 3,5-diacetate - HMDB0033213 195204-05-8 PtdIns-(4,5)-P2 (1,2-dihexanoyl) - - - PtdIns-(4)-P1 (1,2-dihexanoyl) - - - 1-(11Z-eicosenoyl)-glycero-3-phosphate - HMDB0062305 - 1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phosphate - HMDB0062310 - Tacalcitol - - 57333-96-7 9-oxo-15R-hydroxy-16,16-dimethyl-5Z,13E-prostadienoic acid - - 53658-98-3 11-Epimisoprostol - - 58717-36-5 12S-HHT C20388 HMDB0012535 54397-84-1 14,15-DiHETrE C14775 HMDB0002265 77667-09-5 16-Glucuronide-estriol C05504 HMDB0006766 1852-50-2 19-Hydroxytestosterone C05294 HMDB0060089 - 1-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol - HMDB0061690 - 1-Heptadecanoyl-sn-glycero-3-phosphoethanolamine - HMDB0061691 - 1-Heptadecene-4,6-diyne-3,9-diol - HMDB0038782 77084-19-6 3-(Hexadecyloxy)-2-hydroxypropyl dihydrogen phosphate - HMDB0062325 52603-03-9 1-O-Hexadecyl-sn-glycero-3-phosphocholine - - 52691-62-0 | 97288-09-0 1-Octadecyl Lysophosphatidic Acid - HMDB0011144 52977-29-4 21-Hydroxy-5b-pregnane-3,11,20-trione - HMDB0006756 - 2-Methoxyestradiol C05302 HMDB0000405 362-07-2 3,7,11,15,23-Pentaoxolanost-8-en-26-oic acid - HMDB0035980 98665-14-6 3,7-Dihydroxy-12-oxocholanoic acid - HMDB0000400 - 3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide - HMDB0010352 - 5,8-Epoxy-5,8-dihydro-10'-apo-b,y-carotene-3,10'-diol - HMDB0039020 53905-15-0 6b-Angeloyl-3b,8b,9b-trihydroxy-7(11)-eremophilen-12,8-olide - HMDB0041228 171422-89-2 7-[(1R,2R,3S,5S)-2-[(4S)-4-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybut-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid - - - 7alpha-Hydroxy-3-oxo-4-cholestenoic acid C17337 HMDB0012458 115538-85-7 7alpha-Hydroxy-4-cholesten-3-one C05455 HMDB0001993 3862-25-7 8-Geranylumbelliferone C21495 - 23660-05-1 9S,11R-dihydroxy-15-oxo-5Z-prostaenoic acid-cyclo[8S,12R] - HMDB0006562 191919-02-5 Alfaxalone - - 23930-19-0 Allopregnane-3alpha,20alpha-diol C18042 HMDB0060409 - Asperagenin - HMDB0034293 17305-15-6 Boviquinone 4 - HMDB0030057 28129-52-4 Bufalin C16922 - 465-21-4 Calusterone - HMDB0004627 17021-26-0 Canrenone - HMDB0003033 976-71-6 Chamissonolide - - 78853-98-2 Ciprostene - - 81845-44-5 cis-Zeatin-O-glucoside C15546 HMDB0012203 71866-93-8 Cynaropicrin C09385 HMDB0036423 35730-78-0 delta-Tocotrienol C14156 HMDB0030008 25612-59-3 1-Palmitoleoyl-2-palmitoyl-sn-glycerol - HMDB0007127 - 1,2-Dioleoyl-sn-glycerol - HMDB0007218 - C-12 NBD-dihydro-Ceramide - - 474943-05-0 Epiandrosterone sulfate - HMDB0062657 977-35-5 Eplerenone C12512 HMDB0014838 107724-20-9 16alpha,17beta-Estriol 17-(beta-D-glucuronide) - HMDB0010333 7219-89-8 9-Pahsa - HMDB0112106 1481636-31-0 Desferal-iron(III) - HMDB0240270 14836-73-8 Gibberellin A12 C11857 HMDB0301912 - Glycerophospho-N-Palmitoyl Ethanolamine - - 100575-09-5 Heneicosanoic acid - HMDB0002345 2363-71-5 Isopentenyl pyrophosphate C00129 HMDB0001347 358-71-4 Isotretinoin C07058 HMDB0006219 4759-48-2 Lauroyl diethanolamide - HMDB0032358 120-40-1 11alpha,15S-Dihydroxy-17S,20-dimethyl-9-oxoprosta-2E,13E-dien-1-oic acid - - - L-Octanoylcarnitine C02838 HMDB0000791 25243-95-2 Lubiprostone - HMDB0015180 333963-40-9 | 136790-76-6 Lucidone B - HMDB0035834 97653-93-5 1-Erucoylglycerol-3-phosphate - HMDB0114750 - 1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine - - 17364-21-5 1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine - HMDB0002815 19420-56-5 1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine - HMDB0010407 - LPE(0:0/22:6) - HMDB0011496 - 5,8,11-Eicosatrienoic acid C21938 HMDB0010378 20590-32-3 Medroxyprogesterone acetate C08150 | C76275 - 71-58-9 [(2R,3R,4R,5R,6S,7S,8R,13R,14R,16S,17S,18R)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate - - 2752-64-9 (2r)-2,3-Dihydroxypropyl Dodecanoate - HMDB0072863 - Mupirocin C11758 HMDB0014554 12650-69-0 Octyl-Beta-D-Glucopyranoside - - 29836-26-8 | 144388-20-5 | 78168-20-4 oleoyl-L-carnitine - HMDB0005065 38677-66-6 1-Vaccenoyl-2-oleoyl-sn-glycero-3-phosphate - HMDB0007863 - 1-(9Z-octadecenoyl)-2-(9Z-tetradecenoyl)-glycero-3-phosphate - HMDB0114922 - 1-(9Z,12Z-octadecadienoyl)-2-pentadecanoyl-glycero-3-phosphate - HMDB0114948 - [(2R)-2-dodecanoyloxy-3-phosphonooxypropyl] 19-methylicosanoate - HMDB0115861 - [(2R)-2-decanoyloxy-3-phosphonooxypropyl] 20-methylhenicosanoate - HMDB0115890 - Pov-pc - - 121324-31-0 1-(9Z-nonadecenoyl)-glycero-3-phosphoethanolamine - - - [(1S,2R,6S,7R,9R,11R,12S,13S,14S,16R,17S)-16-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6,12-dihydroxy-2,17-dimethyl-3-oxo-8,15-dioxahexacyclo[9.8.0.02,7.07,9.012,17.014,16]nonadec-4-en-13-yl] acetate - HMDB0038535 - Pregnenolone C01953 HMDB0000253 145-13-1 1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine - - - Psychosine C01747 HMDB0000648 2238-90-6 Retinol acetate - HMDB0035185 127-47-9 2-Dodecyl-3-methylbutanedioic acid - - 22139-54-4 Sulfoglycolithocholate(2-) - HMDB0062801 - Tetracosapentaenoic acid (24:5n-3) - HMDB0006323 - Traumatic acid C16308 HMDB0000933 6402-36-4 3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholestan-26-oic acid - HMDB0000601 547-98-8 Triptophenolide - - 74285-86-2 3,4-Dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-ol - - - 3'-O-Methyladenosine - HMDB0006023 10300-22-8 3'-O-Methylguanosine - HMDB0006038 10300-27-3 CDP-ethanolamine C00570 HMDB0001564 3036-18-8 Clofarabine - HMDB0014769 123318-82-1 Deoxyuridine-5'-diphosphate C01346 HMDB0001000 4208-67-7 Nelarabine - HMDB0015401 121032-29-9 Udp-beta-L-rhamnose C02199 HMDB0012305 1955-26-6 UDP-N-acetyl-D-mannosamine C01170 HMDB0013112 - 2-Undecyl-thiazolidine-4-carboxylic acid - - 298186-80-8 1-Aminocyclopropanecarboxylic acid C01234 HMDB0036458 22059-21-8 1,2-Ethylenediphosphonic acid - HMDB0013233 6145-31-9 3-Hydroxydodecanoic acid - HMDB0000387 1883-13-2 | 53941-38-1 4-Fluoro-L-phenylalanine C11217 HMDB0246423 - 4-Nitrophenyl phosphate C03360 HMDB0060272 - Capivasertib - - - Arg-Phe-Arg - - - Asp-Asp - - 58471-53-7 Camylofin - - 54-30-8 Cephradine C06897 HMDB0015428 38821-53-3 Dexrazoxane - HMDB0014524 24584-09-6 N-Docosa-4,7,10,13,16,19-hexaenoylglycine - - 132850-40-9 Enalapril C06977 HMDB0014722 75847-73-3 Dapt - - 208255-80-5 Gly-Val-Arg - - - Glycyl-H 1152 dihydrochloride - - 913844-45-8 His-Glu - HMDB0028884 53634-28-9 Leukotriene D4 methyl ester - - - L-selenomethionine C05335 HMDB0003966 3211-76-5 Lys-Lys - HMDB0028956 13184-13-9 Monoethylglycinexylidide C16561 HMDB0060656 7728-40-7 N-3-oxo-tetradec-7(Z)-enoyl-L-Homoserine lactone - - 482598-46-9 N-cis-Hexadec-9Z-enoyl-L-homoserine lactone - - 479050-94-7 N-(2,6-dimethylphenyl)piperidine-2-carboxamide - HMDB0060725 - Phenylalanylcysteine - HMDB0028992 - Phenylbutyrylglutamine - HMDB0011687 - L-Tryptophan, N-[[(6-deoxy-alpha-L-mannopyranosyl)oxy]hydroxyphosphinyl]-L-leucyl- - - - Pravastatin C01844 HMDB0005022 81093-37-0 Pro-leu - - 52899-07-7 Prolylthreonine - HMDB0029027 - Ramipril - HMDB0014324 87333-19-5 Ropivacaine C07532 HMDB0014441 84057-95-4 L-Deoxyalliin C16759 HMDB0034323 21593-77-1 Ser-Tyr-Arg - - - s-Hexylglutathione C02886 - 24425-56-7 Tfa-VAL-TYR-VAL-OH - - 64577-63-5 Tranexamic acid - HMDB0014447 1197-18-8 | 701-54-2 | 1197-17-7 Tris(2-butoxyethyl) phosphate C14446 HMDB0259275 - Tryptophylasparagine - HMDB0029078 - (3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid - HMDB0014698 - Zoledronic acid - HMDB0014543 118072-93-8 Methacholine C07471 HMDB0015654 55-92-5 Palmitoleoyl Ethanolamide - HMDB0013648 94421-67-7 (S)-Mevalonic acid-5-pyrophosphate - HMDB0001981 1492-08-6 1-deoxy-D-xylulose 5-phosphate C11437 HMDB0001213 190079-18-6 1-phosphatidyl-1D-myo-inositol 3-phosphate - HMDB0003850 - 4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one - - - 2-Propanoylthiazole - HMDB0037168 43039-98-1 Dibenz(b,f)(1,4)oxazepine-10(11H)-carboxylic acid, 8-chloro-, 2-(1-oxo-3-(4-pyridinyl)propyl)hydrazide, monohydrochloride - - 146033-02-5 5-Aminoimidazole ribonucleotide C03373 HMDB0001235 25635-88-5 6-(5-ethenyl-2-hydroxy-3-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid - HMDB0127999 - 7-Pentacosanone - HMDB0040907 31469-35-9 Glucobrassicanapin - HMDB0038417 19041-10-2 Kanamycin C01822 HMDB0015303 - L-Gulose C15923 HMDB0012326 6027-89-0 Bardoxolone methyl - - 218600-53-4 Phenethyl rutinoside - HMDB0032622 88510-08-1 Gluconasturtiin C08417 HMDB0038423 499-30-9 Phenyl beta-D-glucopyranoside C03097 - 1464-44-4 Propofol Glucuronide - HMDB0060933 - Sedoheptulose - HMDB0003219 3019-74-7 Sinigrin C08427 HMDB0034070 534-69-0 trichostatin A - - 58880-19-6 1,5-Dihydro-5-methyl-1-beta-D-ribofuranosyl-1,2,5,6,8-pentaazaacenaphthylen-3-amine - - - [3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)propoxy]sulfonic acid - HMDB0128709 - 2-Methyltryptoline - HMDB0029836 13100-00-0 Dubinidine - - 22964-77-8 2,2,6,6-Tetramethyl-4-piperidinone - HMDB0031179 826-36-8 2-Hydroxyquinoline C06338 | C06415 - 59-31-4 | 1321-40-0 | 70254-42-1 | 104534-80-7 2-Methyl-1-[1,3,7,9-tetrahydroxy-4,6-dimethyl-8-(2-methyl-1-oxobutyl)-2-dibenzofuranyl]-1-butanone - - - 3-(6-Amino-9h-purin-9-yl)propanoic acid - HMDB0029939 4244-47-7 3-[1-(3-Aminopropyl)-1H-indol-3-YL]-4-(1-methyl-1H-indol-3-YL)-1H-pyrrole-2,5-dione - - 125313-65-7 3-[1-[3-(Dimethylamino)propyl]-5-methoxy-1H-indol-3-yl]-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione - HMDB0252906 - 3-Hydroxy-3-methyloxindole C05834 HMDB0004186 3040-34-4 3-Methyl-1-[1,3,7,9-tetrahydroxy-2,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-dibenzofuranyl]-1-butanone - - - 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol C19574 HMDB0041809 76014-81-8 Folinic acid - HMDB0062757 58-05-9 | 22350-60-3 | 6035-45-6 5-Hydroxy-2,8-dimethyl-6,7,8,9-tetrahydropyrano[3,2-h][1]benzoxepin-4-one - - 13475-13-3 2-ammonio-3-(5-hydroxy-1H-indol-3-yl)propanoate - HMDB0000472 - N-(2-(4-Bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide - - 127243-85-0 7,8-Dimethyl-10-(2'-acetoxyethyl)isoalloxazine - - 6266-58-6 6-Chloro-n-(2-chlorophenyl)-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine - - 5413-95-6 1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol C05995 HMDB0004256 - 7H-Purin-8-ol - HMDB0012182 13230-97-2 | 51953-05-0 Actara C18513 - 153719-23-4 alpha-Mangostin C10080 HMDB0035796 6147-11-1 Bilirubin C00486 HMDB0000054 635-65-4 Cafamarine - HMDB0037003 42612-19-1 Carvedilol C06875 HMDB0015267 72956-09-3 6-[(1Z,3E,5Z,7E)-8-(3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl)-7-methylocta-1,3,5,7-tetraenyl]-4-methoxy-3,5-dimethylpyran-2-one - HMDB0030522 74145-79-2 Cyclic pyranopterin monophosphate C18239 HMDB0059639 150829-29-1 Cycloheximide C06685 - 66-81-9 | 1154-57-0 7-Epi-cylindrospermopsin - - - Doramapimod - HMDB0251587 - Fenpiclonil - - 74738-17-3 (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid - HMDB0015227 93957-54-1 Garcinone C - HMDB0029511 76996-27-5 Garcinone D - HMDB0033332 107390-08-9 Gymnodimine C20025 HMDB0041430 173792-58-0 Janthitrem E - HMDB0030529 90986-50-8 Licofelone - HMDB0254080 - Lomefloxacin C07078 HMDB0015113 98079-51-7 Macaridine - HMDB0039455 - Mepiprazole - - 20326-12-9 Mepivacaine C07528 HMDB0015096 96-88-8 Methabenzthiazuron - - 18691-97-9 BIX 01294 Trihydrochloride - - - 2,2'-Dipyridylamine - HMDB0245355 - 1-(tert-Butyl)-3-(2-((4-(diethylamino)butyl)amino)-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl)urea - HMDB0245622 - Nitrendipine C07713 HMDB0015187 39562-70-4 Nb-Palmitoyltryptamine - HMDB0040815 21469-15-8 Pentostatin C02267 HMDB0014692 53910-25-1 protoporphyrin IX C02191 | C75594 HMDB0000241 553-12-8 Pyridoxamine phosphate C00647 HMDB0001555 529-96-4 8-Demethyl-8-(dimethylamino)riboflavin C21647 - 51093-55-1 (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidin-1-ium-3-carboxylate - HMDB0015042 - Vidarabine C07195 HMDB0014340 24356-66-9 Zaleplon C07484 HMDB0015097 151319-34-5 Methylarsonate C07294 HMDB0012258 124-58-3 4-Hydroxyphenyl thiocyanate - HMDB0040578 3774-52-5 Pirinixic acid C75388 - 50892-23-4 2,5-Dihydroxycinnamic acid - HMDB0134041 636-01-1 | 38489-67-7 (S)-(E)-2'-(3,6-Dimethyl-2-heptenyl)-3',4',7-trihydroxyflavanone - HMDB0040305 116207-28-4 [2-(benzoyloxy)-5-(prop-2-en-1-yl)phenyl]oxidanesulfonic acid - HMDB0135248 - {4-[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid - HMDB0135625 - 12-Dehydroporson - HMDB0041417 171438-25-8 2-(4-hydroxy-3-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,6,7-tetrol - HMDB0126722 - 2,5-Dimethoxycinnamic acid - - 10538-51-9 | 38489-74-6 | 161282-95-7 3-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one - HMDB0129219 - 5,12,14-trihydroxy-9-oxo-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-13-yl acetate - HMDB0128449 - 5,7-Dihydroxy-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one - HMDB0140256 185145-34-0 5,7-dihydroxy-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)-4H-chromen-4-one - HMDB0126974 - 5-{5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol - HMDB0135807 - 5-Hydroxy-8,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-pentyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one - HMDB0034142 39036-47-0 6-{[7,8,8,13,21,22-hexahydroxy-19-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.1,(1)(1).0,.0(1),(1)]tricosa-4,10,12,14-tetraen-12-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid - HMDB0126657 - 6-Hydroxy-9,9-dimethyl-5-(3-methyl-1-oxobutyl)-1-propyl-3H,9H-[1,2]-dioxolo[3',4':4,5]furo[2,3-f][1]benzopyran-3-one - HMDB0034016 - Archangelicin - HMDB0030845 2607-56-9 brefeldin A C73840 - 20350-15-6 | 60132-23-2 | 11006-23-8 Erythrinasinate A - HMDB0038713 102607-46-5 Sophoraflavonoloside C12634 HMDB0304696 - Lecanoric acid C02868 - 480-56-8 Montelukast, (S)- - HMDB0014614 220927-27-5 Phlorizin C01604 HMDB0036634 60-81-1 Rutamarin C09308 HMDB0030666 14882-94-1 Sericetin - - 42438-75-5 Tetracycline C06570 HMDB0014897 60-54-8 (20S)-Protopanaxadiol C20715 - 30636-90-9 | 6892-79-1 (3beta,24R,24'R)-fucosterol epoxide C03910 - - (Z)-2-tetracos-15-enamidoethanesulfonic acid - - - [(2R,3S,4R,5R)-5-[5-amino-4-[(4-amino-4-oxo-butanoyl)amino]imidazol-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate C04811 - - Hydroxychlor C14136 HMDB0253260 - 1,2-Bis(4-hydroxyphenyl)-2-propanol - - 154928-56-0 15-Oxo-beta-bilirubin C20667 - - 17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione - - 336-77-6 17-phenyl trinor PGF2 cyclohexyl amide - - - 19-Chloroproansamitocin C20134 - - 19-hydroxy-17-oxoandrost-5-en-3-yl sulfate - - - (1S,3R,4Z,8Z,12S,13Z)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol - - 57605-80-8 2-{5-[3-(6-Benzoyl-1-propylnaphthalen-2-yloxy)propoxy]indol-1-YL}ethanoic acid - - 853652-40-1 3'-Demethylstaurosporine C07349 - 161743-35-7 3-Hydroxy-3-methyl-2-oxobutanoic acid C04181 - 6546-31-2 3-phospho-D-glyceroyl dihydrogen phosphate C00236 HMDB0001270 38168-82-0 Icosa-5,14-dienoic acid - - 122055-58-7 5Androstan-3ol-17-one sulfate - - - 5-Chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine - - 202409-31-2 5-Guanidino-3-methyl-2-oxopentanoic acid C20234 - - 6,8a-Seco-6,8a-deoxy-5-oxoavermectin''1a'' aglycone - - - 6-deoxy-6-sulfo-D-fructofuranose 1-phosphate C20831 - - D-Quinovose C02522 - - 3-Hydroxy-7,12-diketocholanoic acid - - 517-33-9 9,10-Dihydroxy-12,13-epoxyoctadecanoate - - - 9beta-Pimara-7,15-dien-19-oic acid C20149 - - 9alpha-Chlorocortisol acetate - - 29042-01-1 Abieta-7,13-dien-18,18-diol C20329 - - Ac-Ser-Asp-Lys-Pro - HMDB0062552 120081-14-3 Ala-Asp-Ser-Glu - - - Ala-Thr-Tyr-Lys - - - Arenobufagin C20035 - 464-74-4 Arg-Glu-Asp-Arg - - - Arg-Ile-Ala - - - Arg-Leu-Ala - - - Arg-Lys-His-Arg - - - Arg-Pro-Leu - - - Arg-Pro-Thr - - - Arg-Ser-Lys-Arg - - - Arg-Val-Ser - - - Asn-Arg-Phe-Lys - - - Asn-Glu-Thr-Glu - - - Asn-Glu-Tyr-Glu - - - Asn-Ile-Thr-Glu - - - Asn-Leu-Pro-Ala-Lys - - - Asn-Leu-Ser-Phe-Gln - - - Asn-Thr-Asp-Arg - - - Asp-Ile-Glu - - - Asp-Leu-Phe-Arg - - - Asp-Nap-OH - - - Avermectin A1b monosaccharide - - - Azafrin C08581 - 507-61-9 Calcium pantothenate - - 137-08-6 Carmamycin B - - - Cys-Tyr-Thr - - - Dialdehyde C11678 - 85955-83-5 Fosfestrol C08145 - 522-40-7 dTDP-N-hydroxy-beta-L-evernosamine C20766 - - Dynemicin A - - 124412-57-3 Fluphenazine enanthate C07955 - 2746-81-8 Gln-Ala-Glu-Asp - - - Glu-Asp-Arg-Arg - - - Glu-Asp-Lys-Glu - - - Glu-Phe-Tyr-Lys - - - Glu-Tyr-Ile-Glu - - - Glu-Val-Phe-Glu - - - Gly-Ala-Asn-Phe-Glu - - - Gly-Arg-Ser - - - Gly-Arg-Val-Arg-Leu - - - Gly-Gly-Thr - - - Gly-Tyr-Asn-Ser-Tyr - - - Gly-Tyr-Cys - - - gomisin N - - 69176-52-9 | 82467-52-5 | 61281-37-6 Guanosine-3'-monophosphate C06193 - 117-68-0 His-Ala-Val-Asp - - - His-Asn-Ile - - - His-Ile-Phe - - - His-Thr-Lys-Lys - - - His-Val-Ile-Arg - - - His-Val-Thr-Glu-Glu - - - Ile-Asp-Phe-Arg - - - Ile-Glu-Leu-Lys - - - Ile-His-Asn-Glu - - - Ile-Phe-Val-Lys - - - Ile-Ser-Val-Asp - - - Ile-Thr-His-Asp - - - Ile-Tyr-Arg-Glu - - - N(6)-(dimethylallyl)adenosine 5'-diphosphate - - - Janthitrem C C20601 HMDB0040684 73561-91-8 JWH 250 N-(5-carboxyxypentyl) metabolite - - - JWH 309 - - 914458-42-7 Leu-Ala-Pro-Leu-Glu - - - Leu-Asp-His-Arg - - - Leu-Glu-His - - - Leu-Gly-Asp-Val-Ile - - - Leu-Leu-Cys - - - Leu-Leu-Ser-Pro-Tyr - - - Leu-Lys-His-Glu - - - Leu-Tyr-Lys-Glu - - - Leu-Val-Leu-Gly-Phe - - - Lys-Ala-Leu-Glu - - - Lys-Leu-His-Glu - - - Lys-Phe-Leu-Glu - - - Lys-Thr-Gln-Lys - - - Lys-Thr-Phe-Glu - - - Lys-Tyr-Ile-Glu - - - Lys-Gln-Ala-Gly-Asp-Val - - 80755-87-9 LPC(22:5/0:0) - HMDB0010403 - Mg-protoporphyrin IX C03516 - - Magnosalin C17847 - - Met-Cys-Tyr - - - Met-Phe-Thr-Glu-Asp - - - Met-Val-His-Leu-Thr - - - Met-Met - - - N-Acetyl-O-demethylpuromycin-5'-phosphate C07030 - - Phe-Asp-Ile-Glu - - - Phe-Cys-Leu - - - Phe-Glu-Ile-Arg - - - Phe-Glu-Val-Glu - - - Phe-Ser-Trp - - - Phe-Thr-Thr - - - Pro-Pro-Asp-Gln-Gln - - - Protopanaxatriol - - 34080-08-5 Acid yellow 3 C20349 HMDB0037615 8004-92-0 | 83711-72-2 Dimethylpropiothetin C04022 HMDB0251405 - schisandrin C - - - Ser-Gly-Ala-Asn-Lys - - - Ser-His-Phe-Lys - - - Ser-Leu-Pro-Tyr-Ala - - - Ser-Phe-Val-Phe-Ser - - - Ser-Thr-Arg-Asp - - - Ser-Val-Lys-Arg - - - Taxifolin 3-O-acetate C09967 - 78834-97-6 Terpendole E C20536 - 167427-23-8 Terpendole G C20586 - - Tetrahydrogeranylgeranyl diphosphate C17440 - - Thr-Arg-Glu - - - Thr-Glu-Leu-Lys - - - Thr-Val-Leu-Thr-Ser - - - Tridihexethyl bromide - - - Trp-Glu-Gln - - - Trp-Leu-Met - - - Trp-Tyr-Tyr - - - H-Trp-ser-OH - - 133101-40-3 Tyr-Arg-Ile-Glu - - - Tyr-Asp-Ser - - - Tyr-Gln-Ile-Arg - - - Tyr-Thr-Ala-Glu - - - Tyr-Tyr-Asn - - - UDP-N-Acetylmuramic Acid C01050 HMDB0011720 18867-75-9 Val-Asp-Ser-Arg - - - Val-Leu-Ser-Pro-Ala - - - Val-trp - HMDB0029138 24587-37-9 Xanthosine 5'-(trihydrogen diphosphate) C01337 - - Selenophosphoric acid C05172 HMDB03840 - 2',3'-Cyclic GMP - - - L-Arginine, N2-[(1R)-1-carboxyethyl]- - - - Ergosta-5,7,22,24(28)-tetraen-3beta-ol - - 29560-24-5 [(2R,3R,4S,5R,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl] [hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate - - - Cyclooctatin C21979 - - (7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoic acid - - - Phosphite - HMDB0001443 14901-63-4 N-Oleoyl-L-Serine - HMDB0242185 - 17-keto-4(Z),7(Z),10(Z),13(Z),15(E),19(Z)-Docosahexaenoic Acid - - 1233715-28-0 1-Hexadecyl-sn-glycerol 3-phosphate - HMDB0062325 - Hyperoside C10073 HMDB0030775 482-36-0 6-Benzylamino-2-(2-hydroxyethylamino)-7-methylpurine - - 101622-50-8 D-Kynurenine C01718 HMDB0250769 - Metoclopramide C07868 HMDB0015363 364-62-5 Montelukast sulfoxide - - - N-[(3S)-Tetrahydro-2-oxo-3-furanyl]octadecanamide - - 479050-96-9 Scopoletin C01752 HMDB0034344 92-61-5 [(2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate - HMDB0005034 - 10-Hydroxy-2-decenoic acid - - 14113-05-4 | 765-01-5 Evocarpine C16956 - 15266-38-3 Pregnanolone - HMDB0062782 128-20-1 8-Desoxygartanin - HMDB0030701 33390-41-9 METABOLITES_END #END