#METABOLOMICS WORKBENCH yuewu_20241117_143631 DATATRACK_ID:5378 STUDY_ID:ST003636 ANALYSIS_ID:AN005970 PROJECT_ID:PR002243 VERSION 1 CREATED_ON December 18, 2024, 2:28 pm #PROJECT PR:PROJECT_TITLE Individual glycemic responses to carbohydrates vary and reflect underlying PR:PROJECT_TITLE metabolic physiology PR:PROJECT_SUMMARY Elevated postprandial glycemic responses (PPGRs) are associated with type 2 PR:PROJECT_SUMMARY diabetes and cardiovascular disease. PPGRs to the same foods have been shown to PR:PROJECT_SUMMARY vary between individuals, but the systematic characterization of the underlying PR:PROJECT_SUMMARY physiologic and molecular basis is lacking. We measured PPGRs using continuous PR:PROJECT_SUMMARY glucose monitoring (CGM) in 55 well-phenotyped participants challenged with PR:PROJECT_SUMMARY seven different carbohydrates administered in replicate under standardized PR:PROJECT_SUMMARY conditions. We also measured the effects of preloading a rice meal with fiber, PR:PROJECT_SUMMARY protein, or fat (“mitigators”). To examine the physiologic and molecular PR:PROJECT_SUMMARY basis for inter-individual PPGR differences, we performed gold-standard PR:PROJECT_SUMMARY metabolic tests and multi-omics profiling. We discovered: 1. Postprandial PR:PROJECT_SUMMARY glycemic responses (PPGRs) to different standardized carbohydrate meals vary PR:PROJECT_SUMMARY between individuals. 2. Individuals’ PPGRs are associated with their metabolic PR:PROJECT_SUMMARY phenotypes, including insulin resistance. 3. Individual’s PPGRs can be reduced PR:PROJECT_SUMMARY in magnitude and delayed by premeal mitigators which is associated with their PR:PROJECT_SUMMARY metabolic phenotypes. 4. Individuals can be stratified by their PPGRs to PR:PROJECT_SUMMARY different carbohydrate meals, and PPGR subtypes have distinct metabolic profiles PR:PROJECT_SUMMARY and multi-omics patterns. 5. Individuals’ metabolic phenotype can be inferred PR:PROJECT_SUMMARY from both food-specific PPGRs and baseline omics. PR:INSTITUTE Stanford University PR:DEPARTMENT Genetics PR:LABORATORY Michael P. Snyder PR:LAST_NAME Snyder PR:FIRST_NAME Michael PR:ADDRESS 300 Pasteur Drive, M-344A Stanford, California 94305 PR:EMAIL mpsnyder@stanford.edu PR:PHONE (650) 723-4668 PR:FUNDING_SOURCE NIH #STUDY ST:STUDY_TITLE Individual glycemic responses to carbohydrates vary and reflect underlying ST:STUDY_TITLE metabolic physiology (metabolomics) ST:STUDY_SUMMARY We measured PPGRs using continuous glucose monitoring (CGM) in 55 ST:STUDY_SUMMARY well-phenotyped participants challenged with seven different carbohydrates ST:STUDY_SUMMARY administered in replicate under standardized conditions. Plasma sample were ST:STUDY_SUMMARY collected at baseline visit for metabolomics. The ClinicalTrials.gov ST:STUDY_SUMMARY registration identifier is NCT03919877. ST:INSTITUTE Stanford University ST:LAST_NAME Michael ST:FIRST_NAME Snyder ST:ADDRESS 300 Pasteur Drive, M-344A Stanford, California 94305 ST:EMAIL mpsnyder@stanford.edu ST:PHONE (650) 723-4668 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male and female #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 XB59 XB59_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=1.raw SUBJECT_SAMPLE_FACTORS XB45 XB45_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=2.raw SUBJECT_SAMPLE_FACTORS XB100 XB100_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=3.raw SUBJECT_SAMPLE_FACTORS XB14 XB14_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=5.raw SUBJECT_SAMPLE_FACTORS XB2 XB2_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=7.raw SUBJECT_SAMPLE_FACTORS XB68 XB68_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=8.raw SUBJECT_SAMPLE_FACTORS XB70 XB70_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=9.raw SUBJECT_SAMPLE_FACTORS XB70 XB70_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=10.raw SUBJECT_SAMPLE_FACTORS XB100 XB100_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=11.raw SUBJECT_SAMPLE_FACTORS XB18 XB18_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=12.raw SUBJECT_SAMPLE_FACTORS XB95 XB95_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=13.raw SUBJECT_SAMPLE_FACTORS XB14 XB14_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=14.raw SUBJECT_SAMPLE_FACTORS XB70 XB70_3 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=15.raw SUBJECT_SAMPLE_FACTORS XB101 XB101_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=17.raw SUBJECT_SAMPLE_FACTORS XB79 XB79_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=18.raw SUBJECT_SAMPLE_FACTORS XB38 XB38_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=19.raw SUBJECT_SAMPLE_FACTORS XB24 XB24_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=20.raw SUBJECT_SAMPLE_FACTORS XB20 XB20_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=22.raw SUBJECT_SAMPLE_FACTORS XB44 XB44_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=23.raw SUBJECT_SAMPLE_FACTORS XB95 XB95_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=24.raw SUBJECT_SAMPLE_FACTORS XB32 XB32_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=25.raw SUBJECT_SAMPLE_FACTORS XB59 XB59_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=27.raw SUBJECT_SAMPLE_FACTORS XB111 XB111_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=28.raw SUBJECT_SAMPLE_FACTORS XB20 XB20_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=29.raw SUBJECT_SAMPLE_FACTORS XB79 XB79_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=30.raw SUBJECT_SAMPLE_FACTORS XB54 XB54_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=31.raw SUBJECT_SAMPLE_FACTORS XB79 XB79_3 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=32.raw SUBJECT_SAMPLE_FACTORS XB89 XB89_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=33.raw SUBJECT_SAMPLE_FACTORS XB1 XB1_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=36.raw SUBJECT_SAMPLE_FACTORS XB68 XB68_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=37.raw SUBJECT_SAMPLE_FACTORS XB21 XB21_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=38.raw SUBJECT_SAMPLE_FACTORS XB98 XB98_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=39.raw SUBJECT_SAMPLE_FACTORS XB79 XB79_4 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=40.raw SUBJECT_SAMPLE_FACTORS XB54 XB54_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=41.raw SUBJECT_SAMPLE_FACTORS XB70 XB70_4 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=42.raw SUBJECT_SAMPLE_FACTORS XB89 XB89_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=44.raw SUBJECT_SAMPLE_FACTORS XB38 XB38_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=45.raw SUBJECT_SAMPLE_FACTORS XB107 XB107_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=46.raw SUBJECT_SAMPLE_FACTORS XB42 XB42_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=47.raw SUBJECT_SAMPLE_FACTORS XB33 XB33_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=48.raw SUBJECT_SAMPLE_FACTORS XB33 XB33_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=49.raw SUBJECT_SAMPLE_FACTORS XB112 XB112_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=50.raw SUBJECT_SAMPLE_FACTORS XB70 XB70_5 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=51.raw SUBJECT_SAMPLE_FACTORS XB33 XB33_3 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=52.raw SUBJECT_SAMPLE_FACTORS XB100 XB100_3 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=53.raw SUBJECT_SAMPLE_FACTORS XB38 XB38_3 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=56.raw SUBJECT_SAMPLE_FACTORS XB21 XB21_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=57.raw SUBJECT_SAMPLE_FACTORS XB62 XB62_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=58.raw SUBJECT_SAMPLE_FACTORS XB107 XB107_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=59.raw SUBJECT_SAMPLE_FACTORS XB6 XB6_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=61.raw SUBJECT_SAMPLE_FACTORS XB34 XB34_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=62.raw SUBJECT_SAMPLE_FACTORS XB68 XB68_3 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=64.raw SUBJECT_SAMPLE_FACTORS XB20 XB20_3 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=65.raw SUBJECT_SAMPLE_FACTORS XB94 XB94_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=69.raw SUBJECT_SAMPLE_FACTORS XB38 XB38_4 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=71.raw SUBJECT_SAMPLE_FACTORS XB79 XB79_5 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=72.raw SUBJECT_SAMPLE_FACTORS XB1 XB1_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=73.raw SUBJECT_SAMPLE_FACTORS XB44 XB44_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=74.raw SUBJECT_SAMPLE_FACTORS XB97 XB97_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=75.raw SUBJECT_SAMPLE_FACTORS XB20 XB20_4 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=76.raw SUBJECT_SAMPLE_FACTORS XB114 XB114_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=77.raw SUBJECT_SAMPLE_FACTORS XB33 XB33_4 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=78.raw SUBJECT_SAMPLE_FACTORS XB22 XB22_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=79.raw SUBJECT_SAMPLE_FACTORS XB107 XB107_3 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=81.raw SUBJECT_SAMPLE_FACTORS XB111 XB111_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=84.raw SUBJECT_SAMPLE_FACTORS XB100 XB100_4 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=85.raw SUBJECT_SAMPLE_FACTORS XB111 XB111_3 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=86.raw SUBJECT_SAMPLE_FACTORS XB59 XB59_3 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=87.raw SUBJECT_SAMPLE_FACTORS XB1 XB1_3 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=88.raw SUBJECT_SAMPLE_FACTORS XB21 XB21_3 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=89.raw SUBJECT_SAMPLE_FACTORS XB38 XB38_5 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=90.raw SUBJECT_SAMPLE_FACTORS XB6 XB6_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=91.raw SUBJECT_SAMPLE_FACTORS XB21 XB21_4 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=92.raw SUBJECT_SAMPLE_FACTORS XB21 XB21_5 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=93.raw SUBJECT_SAMPLE_FACTORS XB65 XB65_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=94.raw SUBJECT_SAMPLE_FACTORS XB20 XB20_5 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=95.raw SUBJECT_SAMPLE_FACTORS XB76 XB76_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=97.raw SUBJECT_SAMPLE_FACTORS XB14 XB14_3 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=98.raw SUBJECT_SAMPLE_FACTORS XB79 XB79_6 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=99.raw SUBJECT_SAMPLE_FACTORS XB107 XB107_4 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=100.raw SUBJECT_SAMPLE_FACTORS XB115 XB115_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=102.raw SUBJECT_SAMPLE_FACTORS XB94 XB94_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=105.raw SUBJECT_SAMPLE_FACTORS XB95 XB95_3 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=106.raw SUBJECT_SAMPLE_FACTORS XB107 XB107_5 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=108.raw SUBJECT_SAMPLE_FACTORS XB59 XB59_4 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=111.raw SUBJECT_SAMPLE_FACTORS XB115 XB115_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=112.raw SUBJECT_SAMPLE_FACTORS XB45 XB45_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=113.raw SUBJECT_SAMPLE_FACTORS XB100 XB100_5 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=114.raw SUBJECT_SAMPLE_FACTORS XB89 XB89_3 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=117.raw SUBJECT_SAMPLE_FACTORS XB6 XB6_3 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=118.raw SUBJECT_SAMPLE_FACTORS XB68 XB68_4 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=119.raw SUBJECT_SAMPLE_FACTORS XB43 XB43_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=120.raw SUBJECT_SAMPLE_FACTORS XB43 XB43_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=122.raw SUBJECT_SAMPLE_FACTORS XB97 XB97_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=123.raw SUBJECT_SAMPLE_FACTORS XB2 XB2_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=124.raw SUBJECT_SAMPLE_FACTORS XB1 XB1_4 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=125.raw SUBJECT_SAMPLE_FACTORS XB115 XB115_3 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=126.raw SUBJECT_SAMPLE_FACTORS XB43 XB43_3 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=127.raw SUBJECT_SAMPLE_FACTORS XB1 XB1_5 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=128.raw SUBJECT_SAMPLE_FACTORS XB65 XB65_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=129.raw SUBJECT_SAMPLE_FACTORS XB114 XB114_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=130.raw SUBJECT_SAMPLE_FACTORS XB97 XB97_3 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=131.raw SUBJECT_SAMPLE_FACTORS XB25 XB25_1 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=132.raw SUBJECT_SAMPLE_FACTORS XB112 XB112_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=133.raw SUBJECT_SAMPLE_FACTORS XB79 XB79_7 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=134.raw SUBJECT_SAMPLE_FACTORS XB114 XB114_3 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=135.raw SUBJECT_SAMPLE_FACTORS XB94 XB94_3 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=137.raw SUBJECT_SAMPLE_FACTORS XB89 XB89_4 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=138.raw SUBJECT_SAMPLE_FACTORS XB20 XB20_6 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=139.raw SUBJECT_SAMPLE_FACTORS XB22 XB22_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=140.raw SUBJECT_SAMPLE_FACTORS XB68 XB68_5 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=142.raw SUBJECT_SAMPLE_FACTORS XB115 XB115_4 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=145.raw SUBJECT_SAMPLE_FACTORS XB25 XB25_2 Sample source:plasma | Time:Baseline RAW_FILE_NAME(Raw file name)=147.raw #COLLECTION CO:COLLECTION_SUMMARY Participants underwent evaluations, screening tests, and metabolic tests at the CO:COLLECTION_SUMMARY CTRU after an overnight fast. During the screening and the omics visits, stool, CO:COLLECTION_SUMMARY urine, peripheral blood mononuclear cells (PBMC), plasma, and serum samples were CO:COLLECTION_SUMMARY collected. Some individuals had multiple omics visits to monitor omics changes CO:COLLECTION_SUMMARY throughout the study. CO:SAMPLE_TYPE Blood (plasma) CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Baseline sample no treatment. TR:HUMAN_FASTING Yes #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolites and complex lipids were extracted using a biphasic separation with SP:SAMPLEPREP_SUMMARY cold methyl tert-butyl ether (MTBE), methanol, and water in the deep well plate SP:SAMPLEPREP_SUMMARY format. SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Q Exactive HF CH:COLUMN_NAME Merck ZIC-HILIC column (100 x 2.1 mm, 3.5μm, 200Å) CH:SOLVENT_A 50% Acetonitrile/50% Water; 10mM Ammonium acetate CH:SOLVENT_B 95% Acetonitrile/5% Water;10 mM ammonium acetate CH:FLOW_GRADIENT Details in the attachment CH:FLOW_RATE 0.5 mL/min CH:COLUMN_TEMPERATURE 40℃ CH:INTERNAL_STANDARD Yes #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME new MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS MS/MS data were acquired on quality control samples (QC) consisting of an MS:MS_COMMENTS equimolar mixture of all samples in the study. HILIC experiments were performed MS:MS_COMMENTS using a ZIC-HILIC column 2.1 x 100mm, 3.5μm, 200Å (Merck Millipore, Darmstadt, MS:MS_COMMENTS Germany) and mobile phase solvents consisting of 10mM ammonium acetate in 50/50 MS:MS_COMMENTS acetonitrile/water (A) and 10 mM ammonium acetate in 95/5 acetonitrile/water MS:MS_COMMENTS (B). Data from each mode were independently analyzed using Progenesis QI MS:MS_COMMENTS software (v2.3) (Nonlinear Dynamics, Durham, NC). Metabolic features from blanks MS:MS_COMMENTS and those that did not show sufficient linearity upon dilution in QC samples MS:MS_COMMENTS (r<0.6) were discarded. Only metabolic features present in >2/3 of the samples MS:MS_COMMENTS were kept for further analysis. Missing values were imputed by drawing from a MS:MS_COMMENTS random distribution of low values in the corresponding sample. Intensity drift MS:MS_COMMENTS was corrected using the SERRF (systematic error removal using random forest) MS:MS_COMMENTS method. Data from each mode were merged and metabolic features were annotated as MS:MS_COMMENTS follows. Peak annotation was first performed by matching experimental m/z, MS:MS_COMMENTS retention time, and MS/MS spectra to an in-house library of analytical-grade MS:MS_COMMENTS standards. Details in the protocol. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS intensity MS_METABOLITE_DATA_START Samples XB59_1 XB45_1 XB100_1 XB14_1 XB2_1 XB68_1 XB70_1 XB70_2 XB100_2 XB18_1 XB95_1 XB14_2 XB70_3 XB101_1 XB79_1 XB38_1 XB24_1 XB20_1 XB44_1 XB95_2 XB32_1 XB59_2 XB111_1 XB20_2 XB79_2 XB54_1 XB79_3 XB89_1 XB1_1 XB68_2 XB21_1 XB98_1 XB79_4 XB54_2 XB70_4 XB89_2 XB38_2 XB107_1 XB42_1 XB33_1 XB33_2 XB112_1 XB70_5 XB33_3 XB100_3 XB38_3 XB21_2 XB62_1 XB107_2 XB6_1 XB34_1 XB68_3 XB20_3 XB94_1 XB38_4 XB79_5 XB1_2 XB44_2 XB97_1 XB20_4 XB114_1 XB33_4 XB22_1 XB107_3 XB111_2 XB100_4 XB111_3 XB59_3 XB1_3 XB21_3 XB38_5 XB6_2 XB21_4 XB21_5 XB65_1 XB20_5 XB76_1 XB14_3 XB79_6 XB107_4 XB115_1 XB94_2 XB95_3 XB107_5 XB59_4 XB115_2 XB45_2 XB100_5 XB89_3 XB6_3 XB68_4 XB43_1 XB43_2 XB97_2 XB2_2 XB1_4 XB115_3 XB43_3 XB1_5 XB65_2 XB114_2 XB97_3 XB25_1 XB112_2 XB79_7 XB114_3 XB94_3 XB89_4 XB20_6 XB22_2 XB68_5 XB115_4 XB25_2 Factors Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Sample source:plasma | Time:Baseline Glucose 9585808 8384202 14406451 11475084 10525600 10182497 11351969 10589591 12332924 10947719 10662058 11191951 12738224 9338759 9858272 10807867 12256096 12251018 13225053 10835947 11147089 11438039 11939512 11995241 10297959 9391424 10641334 12069413 11932762 9867844 12122680 8198783 9419717 9123136 10354664 10427923 8493519 10729123 10605837 13204667 12761898 8960674 10367972 12098701 11120403 9639023 9947909 9180255 9516018 10290653 10449863 9886288 9197696 10829253 10089907 9515485 10518730 11654262 9441415 9574361 9564966 12820552 8436632 11986866 10622192 11169586 10115573 9882220 9302182 9805989 9851521 9501731 9348000 10622992 10104386 9748847 9471910 10564978 10974273 9179743 9332166 10684459 10271934 10761416 10688409 10021833 8317356 12698366 10705521 10283668 9934703 11315836 11029815 9302208 9231171 10517387 10084535 10950791 11066169 10042462 9458831 9076455 8700568 10946823 9820948 10472313 12426562 9790671 11907645 8852673 10050889 9812732 9639834 15-Hydroperoxy-5Z,8Z,11Z,13E-eicosatetraenoic acid 42397.08 49748.08 56531.55 159808.8 44210.23 56055.04 57126.65 64559.8 44942.35 64628.52 63300.72 35845.19 69691.77 49625.11 45738.85 51147.77 23979.59 47914.4 54167.92 42306.71 41595.63 24590.35 42167.5 52720.78 37721.57 39715.15 59222.46 35460.77 16320.94 41336.39 23563.94 116575.1 66296.37 34949.23 6081.735 16327.01 34419.37 40120.51 10188.19 95325.8 63276.79 27729.45 37025.68 37906.88 30787.75 27861.59 22148.66 25588.14 33848.65 24891.86 33313.94 30214.34 32812.56 33866.13 26293.39 25120.05 27959.45 77658.5 61846.5 43919.91 31122.44 67013.57 28188 6086.085 82251.23 63967.84 68969.13 39932.68 42438.6 86715.77 8208.385 74804.11 66830.44 33180.04 56495.3 113522.4 172250.2 995655.5 296498.5 3506300 1012061 139057.9 90545.68 79528.85 27243.63 36219.3 39775.03 45345.38 48328.43 60962.54 41554.41 18937.47 17644.73 8798.77 19708.19 31295.05 37935.8 43339.93 29016.59 60139.41 42252.97 23991.91 28052.13 25884.01 50810.28 30739.93 42052.38 20925.73 12863.76 6655.878 32284 15912.89 30772.96 Uridine 10112723 6912010 7378766 7711438 7233325 6532533 7183719 7005568 7009224 8852617 7250206 6037925 7622053 6083187 6937895 5782251 5336595 6971707 5886125 8754905 6826170 9180274 6002365 7230192 7113108 8230571 7392566 5942897 9113486 6945065 8872355 6466344 6837570 6566510 6604785 8255278 5481118 7164171 4915441 7040054 7094599 8186485 8562906 8540532 7228113 4939753 6921780 5307518 7299068 9465645 8189591 5979380 7275656 6933887 6021743 6073723 9197839 8808093 11838481 7215911 7142376 8345962 8145658 6447179 7230592 6391789 6662454 7375867 10046079 7777957 6785419 8350256 7675557 7981759 6256124 7243554 8151346 7349892 7096929 7204114 6040348 8479873 10468982 6456174 8189286 7859526 6147837 6979181 8566321 8841617 5153687 7022995 6544521 8332464 7329558 8494890 8057582 6600657 6071109 4801168 6144529 7325966 8856205 8797091 6946892 6015745 7192184 8525111 7085175 8077897 7469196 5199873 8593235 Monastrol_1 697613840 568298137 615241512 555454288 621322889 503997097 519824765 487814154 601214260 561680220 644105165 567216761 589348328 535526728 547250498 544993951 521105883 541623213 527720086 586247165 546891941 627811369 575383895 520967609 677180670 571095549 542467851 536453326 610421501 568503903 575336348 510845521 599675872 511715425 488243507 489428560 501340299 533476593 389214214 557595786 459671718 496979043 507970194 468902721 492413412 473647399 472232521 494567251 488293659 494516401 477286272 476543742 470882138 507156597 574904005 514563724 514204379 498029624 664131.9 434589844 573020790 548343580 498470846 520737056 537829000 565204134 548225210 543478030 517781287 475235006 591929549 557082520 445642320 441672560 482144523 443769746 469489039 516657872 517681735 449943939 479599895 506676294 538037530 491761007 559915720 467265439 477196205 492037053 505016111 513320246 498073610 513205385 503367210 524640783 539354250 557568559 545325772 482918610 521086385 491664605 510115208 538009677 446917838 562980635 486682128 566456159 507900660 531146371 553702431 510183563 477432504 494774393 507159898 Butein 14043892 11676947 12562493 12974939 13561670 11210849 14384191 12356370 12984181 12355051 12201540 13761315 13694527 13319726 14469429 12981638 13389353 11676633 12712845 13504753 12848662 14572477 14696637 12336487 13789426 11874120 12878267 12720229 12978645 12374002 13412375 11842394 12096734 7966482 7037150 8004045 8867966 9311127 8769717 10273023 11140268 10482991 9970874 9777668 11054067 10295400 10315292 11456987 10734080 11022199 10390502 9334159 9684153 10966283 10806156 12015281 10753174 11238728 14119611 9107111 12345864 11840977 10151947 10935368 8162061 7294688 8196959 10118641 9515890 9467726 12011940 12444425 10995710 10950914 11406648 9683022 11613991 11807520 12353097 10034083 10202692 11333243 10915650 11039447 12710139 11159968 11108399 12049472 12265364 11039103 9976831 12215295 7462834 7177804 8524060 9353709 8753641 9362767 10394621 9874034 10071932 11884663 9580658 12742258 12667697 12014021 11930784 11058612 11152847 9319727 10418686 11771312 11103197 cis-Pinonic acid 87644.32 105106.2 101704.2 116951.5 68899.92 115389.1 109038.3 79422.32 84976.48 409608.2 90400.21 91648.51 119057.3 158610.1 72160.05 78701.12 96985.57 77403.98 92897.8 67461.94 77718.46 90588.36 74501.39 124104.4 77286.46 117349.7 86945.57 93230.13 31773.58 58404.33 65242.76 157700.1 142119 88789.44 100830.4 94938.81 142508.8 38888.5 73821.78 127193.4 158327.7 88128.89 101385.5 130029.3 93635.4 94567.96 126256.4 67528.76 57794.1 67943.44 108033.8 97884.1 89228.21 93726.4 120944.7 85625.98 136305.5 120065.7 190557.2 117530.4 74340.09 152958.3 52816.77 66585.06 90506.74 100956.4 110749.8 86971.61 74886.29 128370.5 60746.72 92215.01 212778.3 144695.4 55904.55 72379.28 129219 147693.4 98499.44 129761.7 157645.9 90416.13 147782.2 105143.7 73908.49 96977.85 56706.09 80602.31 95513.37 91104.35 113548.6 31660.71 72447.75 55781.49 67923.59 63373.71 106120.1 95959.64 55557.85 104902.8 174222.7 48845.23 85450.12 93981.58 105963.1 76309.69 87535.96 81971.25 52288.14 55292.4 125576.1 33337.51 55521.79 16-Phenoxytetranorprostaglandin E2 48516.09 46119.25 72146.11 30256.14 10018 66273.41 65356.67 40755.68 14797.45 121100.8 63194.42 23802.5 112786.4 46985.78 9131.91 47767.39 35901.37 25012.63 61111.3 56188.85 49094.67 22963.68 7249.533 73522.24 26579.86 71105.54 35550.61 96157 44614.14 6286.745 2721.025 233185.4 96746.2 363070.7 402616.6 624480.7 299748.5 904.2431 124185.9 255005.2 295340.3 393634.7 527378.3 226388.1 233873.7 295639.9 78457.24 334099.2 81854.39 103301 267352.2 414446.7 304158.8 396248.8 526399.4 217294.1 1053615 375205.8 282310.4 341514.3 1831.575 254045.1 31267.91 30862.13 16977.55 13985.89 90655.51 94052.47 86817.24 49025.75 12084.12 89307.31 90339.45 33062.26 22490.34 57755.1 212552.3 92911.03 67725.28 47761.62 149814.8 232081.1 121814.5 62623.33 54056.44 210878.6 32846.96 106455 204560.9 64836.59 182485.4 13425.24 253629.1 60156.1 5924.804 356698.5 157417.2 318091.9 545502.9 103905.4 41672.96 9060.842 55129.19 190786.9 98135.03 10148.54 134936.7 282188.9 17681.48 161483.3 234727.5 12745.63 4464.973 12-Ketolithocholic acid 49584.22 64454.55 167976.7 59409.5 83480.86 70537.01 125526.7 143986.3 93018.43 79324.59 135568.3 37233.72 128199.1 58147.19 95316.76 39052.83 13561.12 100972.1 150136.3 92660.69 56006.81 19615.63 35773.78 94648.63 93403.71 54254.38 117121.6 55527 60343.65 18846.66 2167.582 73198.29 106632.6 149932.8 185946.6 72017.28 67040.71 78040.11 82285.37 186640.9 233727 118889.5 194239.5 200507.5 150219.8 109699.3 79029.63 110892.9 138290.5 172403.4 176549.7 80691.94 181178.1 310986.8 82002.56 204208.2 223085.9 262391.9 196779.9 223501.2 72280.87 238295.8 114669.1 49164.23 94835.44 139364.7 101807 42123.72 135744.5 48012.04 6905.118 149103 85284.64 50767.47 143489.8 142457.3 168733.1 79806.05 133453.2 153385.5 127445.5 249664.8 168085.4 90783.93 23232.23 101089.8 36701.53 84018.45 42119.1 119386.4 33617.67 21335.4 53418.59 26795.3 65300.09 109393 64074.35 79808.6 65173.82 112381.1 62095.49 33203.95 54146.25 55402.45 101194.7 54014.71 124051.4 29676.33 33386.67 28223.86 36502.08 24320.81 53392.79 4-Hydroxybenzaldehyde 672330.8 656278.8 596024.7 546247 578075 838447.5 520286 536735.1 561108 509335.8 475648.1 582774.1 487544.6 760254.6 557747.6 580164.7 547501.6 586676.5 483892.9 544464.1 976764.1 542649.8 522334.3 478601.8 556262.3 1276404 603105.9 603936.9 689992.8 568721.1 677757.4 618650.1 556625.4 1268980 641348.7 603933.1 520273.2 558395.9 547752.7 526158.7 542735.9 495708.9 473940.5 493993.1 565337.2 537354 986842.9 464807.8 453050 441035 503368.5 510433.7 387229 526828.1 400755.7 509466.8 437397.9 445339.2 654671 380272.7 536259.8 550824.9 446141.2 785072.1 780162.4 841191.3 814815.2 929348.4 880410 873891.6 839789.8 721767.2 664596.7 650547.3 610363.1 567629.3 823619.5 805703.2 942861.3 689764.8 636742.8 1014798 561585 794721.6 862163.1 542757.8 803956.3 882425.1 718903.2 717973.4 678309.8 752931.5 705258.5 760368.6 658985.8 733427.9 558897 712642.8 682366.2 624177.8 629521.5 662114 508880.7 509533.9 808072.2 668071.2 612051.1 631655.8 553854.8 664679.2 626370.8 719277.4 530972.3 3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid 1634783 2458772 670775.4 5406412 2211809 19745532 2745356 9794459 638400.7 26231376 2140868 4147541 34842837 275640.8 4046798 7315772 7120880 4490265 1300980 2880929 5569776 5192714 3015889 25106812 6035511 10005713 6790740 8370649 3330775 16813862 21011485 275613 7002167 9101171 9866490 17564564 7565076 3407507 12605862 916924.4 2029565 6074720 22571631 807177.8 1859624 7398882 11293231 366650.8 3114349 3341839 4117260 14612389 4840199 1354632 5880235 7143534 15076836 138821.6 7625262 5629891 1306938 870662.4 8375765 2129163 2918271 365368.1 2085258 1389687 4437215 14166321 3983825 5261778 17197985 12608049 1932738 5327397 3005142 5983225 3547796 3439200 9114479 2886968 2921410 3907952 2627347 4797865 1377501 1308326 9050606 3867199 14970382 7750431 3887140 3582785 2843203 1442794 4123459 4043855 4682534 1170561 752928.8 5684090 1881852 1982792 2521628 894887.8 966816.2 6518503 2808888 3787927 11936451 4841201 3446395 Rhamnose 5489146 4500343 7642697 5840945 5328810 6506210 7531358 4417089 6855190 7329472 6534251 6297700 2524885 6188333 7898070 7510992 3715359 6470727 10151694 7411864 1786872 5904541 11168132 2510496 8533511 6040485 9253075 6602640 5248248 5848405 6163885 5643079 7253207 5232949 3434489 3671272 5740496 7282791 3598230 4017812 3985713 5268663 2325850 3939216 5971333 6501029 4520550 8622565 6292487 7190547 8318724 5660717 5175976 7757419 7672151 6638253 4277764 7555213 5065804 5566926 6987236 4301243 5582823 8927038 9961641 6049900 9038449 4819695 4319810 5196590 9585213 6463652 4671010 5860432 12075523 6295722 9373900 6310397 9098641 7717858 4613927 9649693 6678830 8268668 5856250 7071269 5657652 8444217 5531815 8241989 6513891 7492449 7036970 4941806 5501660 5171724 7149210 6590776 4752646 11440956 7845589 5739510 5437743 6295104 9192635 9099816 9453956 5461948 7476198 6486939 6542962 4587739 6572545 Indoleacrylic acid 7813.055 11108.28 3442.779 19881.32 5521.686 14715.14 3094.126 2237.661 2271.43 680.5727 4007.316 18810.36 1502.004 15213.15 27275.54 15907.43 2168.568 6328.041 14259.16 11457.87 5678.904 8840.898 2435.994 1290.493 12152.06 9076.881 24065.21 2697.439 2538.869 20749.31 3704.422 6546.698 14923.47 5534.095 1965.25 1825.738 5395.246 7031.856 1016.584 5811.906 12935.98 1811.514 3662.309 8707.261 4287.783 16733.24 3194.042 10888.18 6905.085 12763.09 3956.025 16873.04 5142.636 3520.613 4992.036 14245.15 341.5017 6112.26 6653.862 5456.906 6975.864 5801.93 9051.759 10788.53 2791.281 4096.498 1362.661 9003.257 1209.856 1721.658 9005.097 14955.07 2523.297 5609.454 9113.257 6797.54 56704.22 21734.46 20771.42 11105.39 31694.94 1918.641 11276.4 9550.888 7501.238 33820.35 10311.04 2306.522 3021.569 18977.03 26669.57 2171.375 627.8011 5816.526 4526.897 649.0982 31497.14 1420.985 2109.071 10488.84 9483.59 12441.55 19483.19 582.3006 25567.15 7779.399 326.4771 1643.301 5712.729 8183.574 16485.46 13821.42 13168.91 Glycochenodeoxycholic acid 3-glucuronide 76364.69 17158.8 403305.5 5384.266 24004.97 38327.65 29346.48 118831.4 200164.9 134509.8 23045.65 7883.857 86191.83 30261.07 73489.98 314.0039 6279.112 772851.4 9222.953 58133.84 30565.57 26961.57 42188.34 124427.1 63601.79 2437.237 51724.49 17405.56 10057.79 16563.72 1061.314 21115.5 77941.43 70461.54 163970.4 400.4068 491.5731 30124.9 2838.493 2236.334 1827.463 131186.1 104212.6 2926.859 212554.4 506.8722 16568.77 57368.88 35443.17 1420.018 46917.82 45831.27 442951.8 4513.013 366.0185 123477.7 12332.09 6191.749 27125.74 308847.8 96075.06 5175.386 5648.706 282.2386 45123.41 248182.9 29612.67 7806.622 4917.001 683.9032 451.0574 5188.218 23552.68 1100.575 528166.4 295174.6 3084.136 175.4181 25411.24 4792.775 152466 12401.45 22156.75 929.8376 9564.347 528687.7 846.1603 179868.7 972.479 15601.32 39606.92 2516.792 1550.867 9654.814 18975.17 1412.056 143095.6 2922.8 1279.838 635365.2 43554.62 21840.08 136252.7 249771.9 22424.45 64996.08 946.0593 581.0523 222709.2 5548.797 20489.26 436721.1 213227.1 Uric acid_1 21333727 17821807 24848962 24220375 21703379 25189124 21669222 24194942 29513033 25835702 24739114 24050276 26291942 20618242 21288038 23433888 20821945 22888233 25425067 25198338 19587871 25315010 27737092 28428961 20368666 19829017 20940130 23458551 29189013 27338901 25367285 21408323 20871575 18564145 23123966 20882582 21250523 20049060 16623732 20001323 18680756 20866636 21307119 17419923 25025227 18873770 17344324 17886102 17680516 20194928 24877605 23456377 19082652 17158003 22376253 15821564 24281075 20758876 31114136 18488957 21369190 17714233 20136092 21406132 23313307 26035805 22510516 17226769 24290358 18828975 24156031 20696451 19919984 19485569 22253783 21491612 21103925 19349194 19228707 17337310 23912524 20617929 22505263 22730593 19280073 23490470 17021709 27805611 23561448 22467220 25381377 29813223 23904678 20339758 20628697 24169216 21973233 24640480 25434191 21756318 20966583 21605190 17121207 24427566 17798906 22212383 19129790 19447451 19682822 20111034 21505734 21330727 22114000 Malonic acid_1 1531429 852340.1 317681.5 1530458 1505387 1378717 1104196 707168 364647.9 924737.1 861615.3 1140762 768600 774996 988503.7 500864.6 1760107 741078.6 446199.7 645215 1407418 1605516 710804.5 895572.4 1436971 1162882 956435 638061.6 904855 502774.3 1360405 823923.4 882624.3 1280325 507520.5 812147.4 341975.2 1688093 4450172 304934.4 384808.7 436484.1 646977.8 308914.8 451614.4 819175.2 1350997 953708 1387760 737639.5 663788.5 1254479 701575.3 873401.2 289251.2 1584590 840429.9 590114.9 1405632 733720.9 796424.7 286778.6 593714.7 1086891 689371.4 256116 670615.7 1563615 486683.7 1560162 646665.5 1108857 1248190 1502324 406546.3 749449.4 742057 1019916 966856.8 949522 949365.2 707302.3 362286.2 1416228 1513130 1319193 976665.3 329415.8 933534.1 817282.5 1369223 734659.6 535903 913295 1336996 1070295 1311493 727512.8 870740.6 555856.9 630781.8 681281.8 782854.8 539581.2 1132956 731166.9 527840 923584.4 835067.4 631492.8 957017 1050965 1191662 Quinic acid_1 1306057 1156065 303821.8 3076104 357753.5 1680421 836977.6 587045.8 302385.5 419303.4 890462.7 2476375 423328.3 1793652 875723.3 1665252 1118672 1402265 406876.3 735065.2 966708.1 1432667 390433.8 497881.9 1856234 404536.7 1847281 2276778 2444823 2160404 1920630 4686137 1295320 381810.3 528788.3 1681057 889169.2 309998.2 749815.4 270265.9 283760.8 713104.6 384031.8 248545.9 323979.2 1094282 1771987 897440.3 279846.8 387479.5 318357 1727923 1202225 757405.6 2189299 916776.1 1113272 303322.7 916454.7 1296108 1594187 276313.2 479012.6 305192.4 361489.4 320589.8 309463.6 2624694 883446.8 1493391 1610928 1693055 1837353 2056991 426289.6 1262737 322837.2 3740066 776991.5 342557.2 1231816 2456018 675204.9 351915.6 2335869 563862.1 1811834 337804.8 436280.2 755538.2 1618723 1970165 830485.6 1136545 445341.2 2947494 3105386 1139999 1570904 472122 1302463 1265597 2815603 1431789 1205044 3269369 1801539 3311673 1298688 657310.9 2378226 2238469 1290551 Sucrose 11229.53 19659.21 37799.74 14866.61 10986.19 6631.368 9945.875 7902.112 18189.39 9150.804 9892.202 7641.597 11538.9 18507.36 21998.61 21738.85 9495.706 9151.218 8978.228 11745.4 12601.32 22913.07 18898.11 8789.276 14345.48 9757.952 13756.75 15785.29 34662.49 15573.04 9202.662 24441.95 7428.484 7034.924 6916.684 19474.37 15313.32 13974.28 11795 10380.25 9641.837 10886.2 19562.86 14244.77 21063.34 25651 9360.054 9651.86 8407.489 10544.52 8926.12 4759.223 9889.128 14529.72 33535.74 18120.99 4886.471 8873.702 7971.585 16421.94 10022.98 5156.65 6798.354 6568.385 42806.77 8669.282 19224.16 18026.26 10170.87 11330.09 35305.73 13898.69 11442.6 6472.571 25872.77 9633.607 24393.42 19757.87 11849.57 24537.44 39017.54 5270.922 13047.66 16062.56 16240.28 3919.514 12713.71 11922.46 10210.56 11935.55 7251.297 20679.69 6980.137 31296.29 11929.56 6101.05 14623.11 12864.16 7779.816 36707.6 5639.222 9244.036 4306.386 6389.723 11516.62 9142.618 24648.28 6781.337 8000.064 4646.898 4475.917 10982.13 7640.818 Threonic acid_1 466402.8 397595.3 239779.3 516180.2 492973 442746 517571.2 333414.3 264125.3 407359.3 347474.9 430798.1 320561 356661.5 449005.7 333379.2 683236.4 347219.2 256423.8 341016.7 469977.8 562347 417638.7 338262.9 397455.3 374738.1 382736.5 322908.3 354603.1 416497.1 495803.4 378096.4 312370.3 369134.6 279373.9 321208.3 256807.1 499349.3 861828.3 205762.6 278396.4 264776 262654.4 214886.1 265172 351608.7 466862.3 392438.3 511454.7 383127.3 282313.2 409907.6 336514.1 400916.9 243181.4 508474.8 315000.3 335982.8 1151849 346701.9 413174.8 224357.6 333103.3 365549.2 347444.5 196182.4 343350.4 585331.5 296834.2 531337.7 336035.1 383871.7 464890.4 499856.6 255869 323268.8 359171.1 371428.6 449466.7 407395.5 344902.4 358851 238883.4 454495.6 549381 416122 349873.5 236819.3 340789.2 309496.4 338294.4 329962.9 251987.2 292458.3 441672.5 301436.3 264327.4 302857 262011.8 244208.2 286740.1 353448.3 373680.9 197132.9 340425.8 271378 288857.8 315889.7 324793.3 274571.8 294659.5 393535.3 379724.4 Glutamic acid 1949431 1722274 5339009 1193007 1063320 2449798 2388281 2784651 5034511 1840736 2203450 2169706 5582400 1897755 2206105 4799512 1883100 4266290 3568565 3875192 1956342 1494609 5048905 5880316 1907740 1208991 1458031 4407977 1738138 4821236 2638579 2279961 2766551 1565147 4140714 2718051 2002070 1402578 3165332 2406313 3472153 4536853 3027260 2301769 3855045 1760801 3630129 884226.7 1277037 4090784 2785981 3411434 3141222 2409115 3658391 1396111 2469281 3625968 5167754 3723701 3528348 3105616 1881626 2362268 4315409 4812572 2047183 1539019 1787032 2540312 4039336 3463929 2460483 4092705 4452367 3566024 2727520 953120 2074888 1415974 4152649 2570340 4808909 1395426 1977460 2693975 1537373 5641947 4213121 3253213 1690129 4615521 5016073 1057829 1160636 1999360 1833525 3455473 2080845 2610330 3788592 2655851 2859443 4279483 1551719 4485721 3379146 4470308 3666699 1877350 1676921 2277862 2996212 Nitrilotriacetic acid 22577.05 1371385 1285350 39260.65 20861.07 15715.34 94542.56 70695.7 21059.14 30522.43 29300.24 12443.4 1349356 12920.87 1321522 23177.88 28611.74 128778.7 25713.83 11608.09 9153.96 13717.94 1427708 33992.98 1237918 14872.88 15518.84 155694.7 18643.58 14640.76 12419.94 8088.002 1466747 1034634 943111.4 1116276 20125.11 15810.9 13286.49 11224.45 19695.67 1295182 12862.96 8130.003 154729.2 8789.189 12756.11 21458.68 10891.82 24616.42 11741.96 24449.01 1008444 25731.44 1343274 15248.44 11776.59 8871.654 2828.276 6731.968 1410870 1243897 2370860 18268.96 23020.69 10023.78 9017.308 12201.11 11107.52 6976.549 11554.49 14323.6 11638.66 1193365 2380135 39477.32 11618.94 9671.331 6804.62 1078733 1065227 1451170 1430295 12319.14 11415.45 12998.01 13635.69 7718.939 21991.48 1378037 26586.2 7920.623 2901.95 12268 21488.62 10651.12 11745.63 5447.334 7200.497 1672446 32212.12 8391.275 18249.09 8079.365 14829.38 7848.479 7622.227 937026.5 12766.69 12155.49 10057.11 23593.54 1060372 Monastrol_2 256079110 231789394 247540228 251461282 269660453 229045077 251406035 229306077 259475642 245735328 245276343 256765522 239995115 252732184 262285018 264889793 261265800 237237129 234913865 255789737 263901934 285335805 273040742 234743155 259139851 247519211 259853206 245340452 268758871 261725066 276279841 245726531 239405089 226595698 215346903 235075685 250833380 259196480 225368110 236534505 236553059 228798808 222139210 214902948 233631902 230229838 228432935 251015939 243323428 229512403 218490378 222848562 206531329 247818779 235412365 243546088 222470623 232806091 694019.8 293908951 262216982 234635174 218514347 256151465 183459542 172638331 189600476 223612569 202760597 225277768 257386569 255335144 237195009 244704038 243603259 211491085 230484069 247794484 263421538 230753957 221915650 241666752 226522756 247793092 269087809 228976271 232287602 247955180 244029972 238331598 220893905 344102469 282555682 236817247 273594293 252542824 237818031 247073724 248504867 230056384 248775931 260145833 225520967 259308372 248037341 267539324 252270914 243430786 252864124 229612411 231326150 247466180 263947534 sn-Glycero-3-phosphate 159817 173728.1 144486.4 147570 179171.8 193691.2 164802.6 144420.3 143154.2 122029.9 115688.9 126883.9 111599.9 167898.2 179713.2 163473.5 161898.8 138000.5 162044.2 148447.7 119033.8 173367.3 154829 129326.1 165764.2 158949.7 210528.3 163587.4 164882.3 188364.1 125937.6 192106.9 187056.7 137864.9 122833.6 130707.8 128576.6 159711.1 173031.1 150261 122452.2 128679.9 140748.3 139218.8 130393.1 158889.8 130947.9 159743 143263.9 153314.3 163274.6 189401.9 147308.2 144227.4 144274.3 183998.9 146061.3 202246.8 156814.2 157062.6 163516.2 151070.8 144209.1 165403 164346.1 144751.8 173625.9 157271.5 169304.5 133014.6 181873.6 125062.6 149797.6 156569.7 150037 139602.6 140530 183260.6 161166 127032.2 141565.2 135432.3 136736.2 177731.4 199377.7 147081.7 213975 138197.9 128268.9 149819.3 183579.1 161269.2 137830.6 177794.2 230986.6 164483.2 151306.6 139440.6 129502.2 149895.5 162634.7 192004.6 153012.8 149732.4 192754 150691.5 174995.5 163792.9 179557.2 144559.8 173292.2 158298 154225.9 Beta-Citryl-glutamic acid 916450 565676.4 439469.8 359402.6 393988.8 396240.3 280473.7 339434.5 263658.4 267020.7 444489.3 271978.1 393369.7 387218.1 454834.8 473381.9 375001.4 627548 507504.6 487275.2 471969 599890.3 489584.6 490719.1 397697.7 292603.5 341003.4 423910.4 611758.1 402521.1 543573.7 403839.9 450433 420297.2 409641.6 383112.1 422234.8 265921.8 497595.7 384015.1 390977.9 394346.5 426137.4 366902.1 245104.7 381928.9 455930.2 234259.3 328014.1 571081.1 400051.8 424868.9 530212.4 312545.6 451586.4 422518.8 495066.4 560768.7 170302.9 546826.5 775872.6 462410.7 425229.1 342035.4 479970.3 302501.6 528183.3 577870.9 453846 488991.5 498937.6 574260.6 529114.6 639465.1 670214.2 595363.4 475431.4 392344.5 385626.8 432832.1 582980.3 475119.8 554942.3 456973.5 753076.5 669327 432958.4 273000 448915.1 650242.7 521913.9 689129.6 678764.2 371462 496648 494560.7 637748.4 826298.8 611126.3 725966.7 797198 311910.6 487208.9 485314.7 385501.3 814019 328685.4 494579.2 638391.2 433010.9 394104.2 774298.5 662538.9 Dehydroascorbic acid_1 259829.4 362653.1 193026.5 255313.3 363198 285820.4 228247.6 248118.2 219532.4 199147.9 291463.2 252847.1 238474.6 254999.7 210594 290738.3 311348.2 227948.2 224787.4 243445.4 266339.6 293150.3 227050.3 226588.4 237874.2 262611.3 168809.7 206942.6 384954 367016.1 397334 349518.9 227538.8 289263.9 289907.9 352698.7 381366 268689.3 477401.9 264973.9 291385.7 245233.2 332738.9 238752.8 222476.4 292884.6 363335.1 241707.7 253326 303893.9 238708.3 249877.4 278149.1 297365.5 316619.9 227241.2 292198.7 276271.1 184215.7 262008.2 284260.3 259905.5 324048.9 243278.4 232875.9 290795.6 238059.4 230453.6 321450 293986.7 312102.7 319445.7 357824.8 325202 303966.9 256728.2 322398.6 252936.9 195977.2 236024 249681 428679 256984.5 256799.8 283022.7 311839 367969.5 280402.9 269917.7 267154.3 292189.9 316132.4 258353.7 219576.9 463517.1 370837 285608.7 320787.4 403716.8 341778.2 259679 279452.4 446755 248941.6 250440.6 281452.5 320718.7 294771.5 276083.9 379707.3 386160.5 448175.4 476362.7 Mesaconic acid 18081.18 15841.47 4682.558 22592.34 16524.47 14828.53 11507.42 9208.789 4258.91 11051.82 11836.85 14141.05 9120.03 6927.389 15484.93 7382.378 22212.22 9945.188 5483.54 8053.921 15614.02 19260.69 9201.672 9000.776 15406.67 12538.63 8037.733 8503.657 6980.658 9309.813 15863.25 10066.91 9520.557 9631.26 5616.307 9406.822 5306.853 13482.48 64853.45 3988.592 4413.203 5523.419 8166.703 3771.617 3641.243 7641.329 12214.64 9882.353 14287.03 8718.595 5855.321 12463.41 7526.795 7944.558 2826.068 16069.58 7202.729 7363.073 11465.1 7964.601 7489.849 2595.428 6382.795 9577.043 7208.335 2696.594 9097.283 19834.94 7060.85 12416.24 6339.642 8334.019 12855.57 14098.4 3642.903 8150.471 7810.288 11071.77 10834.28 11616.97 7753.776 8236.811 4008.645 11990.17 20705.15 13926.95 8320.847 2711.859 7955.981 5914.117 8939.726 6208.337 3596.165 5578.068 11231.89 7002.882 10448.39 7678.86 5368.637 4484.39 6360.824 7716.94 12846.53 2602.038 7477.732 4156.69 4239.603 7117.932 6103.934 6201.907 7194.677 7544.289 9792.857 Sorbose 786889.4 989869.9 687979.8 864330.9 824201.5 1218418 864475.3 679553.4 589529.6 685021.8 635348.2 702249.7 756028.5 881916.7 721248.9 910973.7 1286396 873411.5 658888.5 654783.7 622360.7 990766.7 911450.2 645760.4 446080.6 497184.4 558053.1 664417.3 1121123 1272152 1194432 954177.5 571051.6 746396.4 779371.4 842701.1 915336.6 704622.9 1069960 679364.9 890464.5 628412.7 657334.3 740063.6 651390.2 656173.1 917680 670184.1 687479.6 605921.9 945359.7 885585.4 766607.7 599541.6 518086 606390.6 854115.9 832932.8 1508340 782960.6 653159.6 676040.8 744072.2 788499.7 754063.1 713979.5 667252.5 853651.9 999624.3 790163.7 799802.6 460144.4 1035830 974245.3 752834.3 775837.1 759049.5 887826.5 576798 784241.8 801023.8 771724.6 701452.2 825353.4 877990.6 641979.4 805945.2 640862 731185.4 673150.7 731311 845014 766101.4 655924.9 932136 1141420 715095.5 839263 759669.9 803566.4 619443.7 835469.4 907881.3 578694 628002.6 762501.4 734444.7 792415.7 898857.6 780541.8 866256.1 746821.7 987784.8 Myo-inositol 698703.5 658289.2 447483.2 3588547 518320.9 826192.9 558083.9 445994.6 451113.1 607684.2 591456.1 607421.2 381638 1252427 472637.7 562881.9 717606.7 887898.5 470962.1 644558.5 574149.6 828448.1 587061.1 461477.1 732560.2 320492.2 660990.1 698410.8 967167.4 1005572 797334.1 1542588 576289.3 293489.3 387949.3 642574.4 480917 449835.1 548791 373451.1 391341.3 433869.2 343951.4 426110.7 411298.4 525156.6 696169.3 475893.9 386503.5 332635.7 440740 734722.8 658365 513025.7 628377.5 517265.9 605307.3 517465.1 535635.4 1196044 545602.9 403730.1 422264 485656.8 422205.9 472733.4 463627.8 879713.8 585340.3 665333.7 684502.1 290865.5 827335.5 879500.7 695797.7 783367.3 438262 7066925 485884.2 593868.7 863221.9 788362.7 624045 477302 1005599 608970.1 771373.9 420423.7 483958.5 312575.4 800590.7 963790.9 454045 611807.3 557770.8 834698.2 1018780 565176.3 624757 871180.7 737879.8 541535.2 1028711 458101.9 680365 4689165 852636 884950 837676.1 525517.6 841107.3 774195.4 615961.5 Taurine_1 459097 371445.8 370342.5 274203.6 207498.1 404769.3 335103.1 316935 253161.9 251680.9 233170.6 314578.9 356860.5 160857.9 312767.4 317301.9 194284.2 325510.1 200048.1 234511.2 322071.7 256764.6 326599.8 290206.7 220756.9 356296.7 274010.1 196876.1 375402.1 436593.1 301829.7 135354.3 216454.5 326968.3 302093.6 226498.4 348477.4 248462.2 205997.8 228663.3 184023.4 248855.8 266915.3 165510.6 260852.5 238231.5 223053.5 280989.8 217591.6 279767.4 232609.6 313492.7 245718.8 225708.2 221721.6 215343.1 269915.8 180240.6 909911.7 209557.9 326212 255874.1 188580 284172.4 181814.7 310628.4 258990 272550.9 290916.5 264913.4 326195.7 349555.1 258824.8 304223.6 510083.8 224396.1 174706.5 207059.6 237121.7 367139.7 247501 408900.2 210625 302414.4 258225.6 223657.1 320258 294427.6 256449 327735.9 314199.3 264426.7 245242.5 266869.4 292807.8 342434.4 179704.3 230377 269569.7 236580.6 335680.5 231030.7 334732.1 243358.9 250898.8 316341.8 331417.1 265896.4 239761.1 216940.8 360616.8 206566 372050.3 Ribose 134066.9 133343.1 93364.39 231793.6 168909.3 107739.8 83462.09 89138.87 106727.9 210091.2 77322.6 69870.22 63479.8 339918.5 80140.78 102020.4 93251.36 180209.1 154265.7 95071.46 94251.74 113519.1 96681.27 86523.02 154502.5 86323.18 99180.87 93664.61 90770.98 153535.6 100036.1 232691.1 94132.35 70517.59 63658.28 97757.56 80391.54 100575.8 82536.62 89890.19 80328.8 64861.77 71854.85 90148.67 107536.6 87432.31 86014.88 46785.91 95161.36 93614.41 114938.2 94079.25 128681.5 75335.1 100597.9 98498.59 77198.93 136562.3 115666.6 242952.6 98396.82 102285.7 87435.02 93802.97 79008.79 87368.79 86674.89 81661.69 87190.39 70037.42 110691.9 62227.8 98412.22 103163.1 146059.9 139619.3 59242.55 365973.9 60807.25 199905.6 97842.74 88632.27 75876.94 137042.3 119612.6 118009.9 107406.3 111571.8 69150.08 90741.83 99573.78 143195.8 112269.7 90684.68 130895.7 85841.73 97931.67 83004.82 63797.66 162301.6 98590.32 121518.4 98402.92 55548.97 92563.62 246115.8 87738.85 129312.5 136262.9 82710.18 95689.46 100317.9 108507.7 Uric acid_2 1118334 863723.7 1537846 1483202 1129503 1476856 1061682 1406003 1748854 1527966 1349127 1234432 1604660 1022986 1000728 1285661 1039773 1267746 1410265 1343499 902762.1 1327105 1559930 1690228 990412.1 940144.8 953631.3 1317261 1636185 1615630 1432026 1132334 1115394 865216.2 1338826 1154220 1076176 898511 770257.6 982833.5 835524.7 1134425 1185425 816027.2 1447223 921079.8 825128.3 732186.7 717467.6 1031942 1464243 1386627 1047329 752495.6 1322511 673510.2 1373525 1145295 1657392 1143587 1054730 807388.9 955801.6 1232330 1422363 1774626 1349702 800823.3 1611336 1002380 1527263 1089699 1145345 1138441 1448071 1418820 1234720 1146274 935385.8 893627.6 1599749 1025896 1334347 1251142 900906.2 1542334 797987.6 1697726 1374698 1302503 1484869 1744133 1598718 1441071 1233385 1627629 1697953 1701769 1711873 1594477 1290379 1265985 835506.2 1533458 922626.1 1433382 1046038 1215275 1120292 1356797 1534453 1436144 1269137 Pro-Gly 89782.71 116887.9 115679.7 107075.8 117473.6 93629.68 130008.1 137488 110396.5 122840.9 129100.6 129866.5 154936.7 127355.3 115715.5 100628.4 119459.1 97962.89 114860.4 117600.3 120114.7 136401.7 132160.2 108428 152923.8 97807.49 149276.2 143060.9 181863.9 89979.62 130911.5 89867.63 130005.1 158312.5 113924.3 113428.9 92119.14 121309.9 106841.2 112457.3 117434 111968.2 142738.9 107311.1 129784.5 122736.7 120281.8 108280.7 132027.4 115023.6 125705.4 111668.5 147730.9 105676 146012.1 136849.1 144429.5 114220.2 103624.3 117244.9 127035.2 131656.2 155316.3 165714.4 104578.6 117651.6 118854.2 130691.2 163677.4 113904.5 157989 134825.2 151889.3 165047.9 190431.2 117758.7 136248.5 147800.5 160917.7 223578.9 142862.7 152564.1 170897.7 187620.8 139987 279907.4 171400 142069.9 166656.3 192836.9 162062.6 153330.8 127835.5 165866.7 162814.6 168213.9 197491 176486.3 195439.9 169178.6 129912.2 162491.4 210172.9 191485.7 210965.9 174336.1 160355.8 195675.9 140802.4 230703.5 210205.3 176132.6 172057.8 Glucosamine 6-sulfate 29391.93 37700.02 43061.85 31488.46 45069.95 32003.61 37986.37 36504.25 41496.86 27256.52 33602.17 30085.33 33344.42 35230.36 32814.31 28830.42 31723.54 35241.12 37397.88 31740.34 31216.69 29707.44 43700.8 30003.19 29753.22 23193.26 28328.35 23377.32 53494.56 23400.17 48099.86 36779.61 22932.52 25483.31 30923.65 23435.08 31471.52 17286.29 17388.37 12860.82 27706.93 32731.61 16357.65 18343.13 28634.46 27500.26 19359.91 20813.78 29447.56 11206.36 17072.15 23664.51 25487.99 20745.06 30109.09 43231.4 36982.39 39511.57 52896.16 30986.16 39366.74 8415.423 29093.47 32942.21 40549.06 43721.85 40148.6 21885.28 9123.392 34274.68 38577.41 30828.64 42543.69 39980.28 33099.89 33694.62 32179.53 29408.74 33388.79 29931.64 43453.92 25654.12 26013.51 32429.67 23858 37417.93 30959.75 28843.77 28605.97 28213.1 29266.67 33520.25 33398.2 33780.34 41519.79 37314.29 45536.88 42101.84 50566.77 25407.81 42685.66 35444.97 35431.33 12764.07 34411.28 45759.57 12449 24220.63 32941.51 41867.09 11722.35 65970.54 42496.62 D-Tryptophan 988118.5 848198.4 812158.6 1099607 523869.5 846637.2 724311.5 819892.1 822232.4 1219417 931818.7 1017970 1204596 857444.6 848030 869611.9 746845.1 865496.5 925510.1 960758.8 824958.1 915586.7 993069.5 1150455 907260.3 1008108 1043878 922697.1 1090756 706241 904319.8 692532 896915.7 757499.7 762346.9 704890.1 621939.6 741490.2 764167.5 682978.7 677367.8 680535.6 1006317 664816.8 676248.2 756933.5 449402.4 451483.8 610470.1 696941.3 633058.9 723117.5 573005.3 534966 695943.6 860873.4 781593.3 638166.1 797792.5 653207.7 640348.7 728333.5 755665.4 963973.4 639321.2 817461.5 828029 840157.7 787027.2 702393.1 1149007 774362.6 554485.9 676746 636529.3 693603.3 704338.3 852881 913098.9 735034.3 821876.5 673915.6 825747.8 1032056 809901.9 1038188 711211.1 752843.7 973764.5 971569 846041.4 1065133 1006895 945184.9 646764 990696 956842.2 985990.8 890567.8 640401.1 721177.1 893914.2 664701.9 618128.6 1035507 863695.5 787124.8 1081866 798683.4 968075.8 840771.6 719767.1 737470.5 16,16-Dimethylprostaglandin A1 24362.79 47790.43 138526.5 59243.59 78913.86 52200.15 103211.9 139385.9 102202.4 61267.04 102714 46247.82 144727.9 55159.5 106971.9 41294.01 7606.306 86854.97 171371.9 74839.89 30105.3 11246.03 23986.52 101780.6 87262.7 53302.1 86288.3 30636.67 37382.43 27277.4 2569.949 60341.45 91867.14 89524.47 123502.8 46070.72 54939.82 27588.95 44040.83 158504.5 177008.6 79664.2 150039.2 170149.4 105941.9 56986.8 45332.93 82503.65 91123.4 114433.4 98871.12 49103.24 126587.5 263150.1 56642.77 123176.7 102606 151947.8 104824.1 146394.9 21905.83 178154.1 54532.14 18637.93 71398.82 102275.4 88143.05 22471.07 51200.7 33645.15 13462.05 121488.8 43671.14 33254.1 92613.41 99530.57 106846.6 39636.04 92554.37 65829.82 79666.54 189830.8 80645.48 75428.71 11967.21 52131.52 23268.79 69069.29 31185.43 100017.5 22294.14 24628.93 37063.82 20542.17 24077.2 44765.51 44986.55 60334.3 53664.88 92702.17 36253.28 11884.74 42972.66 38037.98 72738.18 21584.75 98770.96 24282.97 30273.92 25525.2 26208.98 6373.869 6040.699 5-Acetylamino-6-amino-3-methyluracil 1476003 906694.8 943232 554164.1 268505 394585.2 328146.4 285267.7 1045455 112793 226405 524903.4 335440.7 926105.6 196090.1 774756.1 426980.6 347970.1 156453.9 193312.2 671587.2 1629079 327914.3 566587.8 167084.1 499109.1 194568 683896.1 467898 915552.4 322132.7 1326951 260066.4 231159.6 255178.4 1698874 1520897 121639.2 476152.1 173224.5 331813.8 302666.5 290467.5 660015.3 427882.8 460849.9 423309.4 101669.3 64482.52 154824.3 1307013 312977 388003.4 414385.1 937187 103579.5 1196929 292674.9 384479.2 886377.3 289238.6 191137.5 307342.1 363545.7 409018.2 404203.2 620965.4 1712476 1594383 1068003 764105.6 400119.2 290742.2 303775.9 299692.9 430271.6 337073.3 418138.9 86254.96 107685.3 721607.1 341075.6 184380.2 169151.7 1369330 242750.7 503100.5 588487.7 287511.7 185399.8 361998.6 884312.9 982659.8 854491.8 1254578 798652.1 601669.7 573882 315042.8 371291.7 278276.7 496850.5 562107.7 283045.1 119348.7 519461.2 739658.8 536507.1 459167.8 391912.3 573663.6 490436.4 440496 9-Hydroperoxy-10E,12Z,15Z-octadecatrienoic acid_1 1107214 270070.6 224027.7 1329794 287387.2 442456.6 493481.3 681572.4 277458.1 291123 1701862 199991 912160.4 431045.7 376332.2 292954.5 445917.8 417550.5 417966.9 237972.6 446669.5 271536.7 188994.4 364744.9 295166.8 256723.2 364779.6 240919.5 283582.9 324475.9 156579.5 7361910 1458808 609075.7 1462154 1467781 693573.8 903623 506914.1 1232355 650357.2 653488.7 838002.3 1080366 454977.8 490681.1 737872.2 516123 344912.7 512696.5 932057.6 405116.8 591406.9 896868.7 429211.6 1012715 530567 503924.2 1527684 801262.6 242596 1287477 661354.7 235993.5 270457.5 459586 434334.6 277675.8 491648.5 222144 212316.8 711688.1 834950.1 377938.6 579665 667830.8 602618.5 369107.1 526610 382190 863626 345032.6 421882.4 1151243 416124.3 1252191 181241.4 206885.6 482482.8 607536.8 989716.4 692873.8 461179 235480 130213.9 454146.9 857748.7 364774.3 179126.1 299410.4 91772.42 169355.8 289330.2 139292.6 203509.9 128824.6 201500.8 127868.4 152007.6 190175.4 114610.8 241530.6 74421.61 2-Naphthalenesulfonic acid 1113.119 821.6672 191.8899 383.5459 855.7548 201.0071 1690.689 126.2154 280.0448 700.9254 76.99828 543.6909 687.1795 273.7674 92.83729 202.424 612.96 101.8923 57.69162 401.1963 273.3039 791.826 426.9246 406.0597 409.6769 282.7334 471.7807 568.9709 243.163 151.8531 72.85012 723.2844 1179.057 3139.477 2328.251 1055.777 818.5346 33.41849 435.4943 1429.655 2316.174 673.7031 623.5573 1876.517 1924.379 1307.608 680.2667 1735.795 1678.087 1061.094 394.4778 1161.168 3100.385 3044.684 2275.307 2869.917 1871.251 1064.333 2667.535 1221.994 32.11442 1224.323 75.67226 2904.894 5572.767 891.6144 3578.251 2215.404 715.2551 5770.31 105.9596 6025.627 6539.964 2147.476 1826.469 4278.814 8302.941 13869.42 12674.59 46906.32 17057.21 7262.511 4715.333 4889.628 4481.561 4222.913 2097.848 4181.342 2692.419 2610 1300.384 432.802 3605.57 67.69679 121.8724 2901.18 1417.479 3038.918 2172.791 3904.901 4656.567 83.02782 2925.109 8762.643 6721.436 1596.144 3785.023 2738.461 484.6262 133.9769 2383.162 331.6627 105.6304 2-Aminophenyl sulfate 100832.1 175130 118655.7 148976.9 86987.64 207486.7 119631.9 91395.94 60377.56 359634.1 94057.96 57339.57 20407.38 790502.2 49056.49 33148.26 183491 352487.5 731684.1 141052.1 209872.9 83254.89 59895.61 72624.42 112324 115470.5 192550.2 271500 41818.69 271990.4 102741.9 1055918 223852.4 77422.52 109235.7 318903.2 43528.2 54398.54 283289.1 167338.2 109178 127667.7 10816.1 89905.7 66594.1 55440.49 46983.44 240522.2 40153.46 50347.53 239304.5 439972.1 158320.8 58712.31 163413.9 64048.92 99968.77 772803.9 71279.22 1072568 187217.5 311641.6 50737.14 108583.4 55742.3 34228.85 69377.63 497533.9 48656.03 25652.35 20221.15 57595.12 21583.74 47660.82 187169.7 466615.8 65199.91 155907.2 80637.58 215748.4 114689 8910.362 127558.5 35346.83 164326.7 422245.1 94857.25 43350.63 29626.37 260887.2 294299.2 2227.011 37814.32 726538.6 46055.63 34370.09 100140.8 22383.65 16288.17 216223.6 173635.5 58467.73 117960 10696.29 79202.76 258956.3 73097.35 196761 142903 49560.86 396655.2 1483544 20370.4 Testosterone sulfate 61810.65 74782.7 169679 225049.9 138268.6 145805.5 171575.5 176316.4 118045.3 84893.95 181010 227685.3 257777 66716.46 264885.7 118639.6 90739 130723.9 183429 147114.8 131198.8 59421.97 30998.75 255766.5 252473.7 133334.6 290212 118274.7 39570.31 107834 16310.12 71821.68 228318.5 117601.4 174534.5 67583.77 82218.34 22683.81 30555.57 38496.57 41281.65 262396.8 211345 37657.59 127200.9 91726.28 25821.74 270608.9 34163.68 67179.29 222402.7 121145.8 127904.6 62767.37 90551.03 232354.3 65466.49 163646.2 343183.4 168950.9 88041.19 57515.39 278575.9 34565.74 13736.47 120752.7 39242.71 56340.86 41894.18 32908.79 11835.68 68113.4 32607.71 28172.91 61518.83 146979 403910.7 272385.7 349305.7 31888.8 260103.4 100500.6 146944 45082.37 83925.69 262792.1 64690.75 152610.4 107644.1 122066.9 164643.7 417634.6 637390.7 283909.7 42980.36 72451.55 278215.4 652597.6 74336.29 83745.17 89207.74 134722.7 136137.2 468039.6 323943.3 92592.84 67331.3 85461.76 162437.3 274674.8 156789.7 111159.5 76575.84 Octadecadienoic acid 395172.9 482390.9 968148.5 576788 1293152 771863.6 1195620 984139.5 1006637 456607.8 882942.5 1009280 526453.5 530219.3 571312.4 816863.6 800507.7 778362.1 625542.3 846139.8 533955.7 1161540 867651.1 549655.6 461782.5 762709.3 472732.5 691323 647436.6 979289.1 547657.7 701761.7 390126 1106697 1168849 778037.8 1412854 967453.3 563035.4 1333225 1355621 874406.1 671614.4 934746.9 1131635 582902.9 1488718 2087783 1612941 823336.8 888063.4 900989.5 825500.5 1487268 1046590 625611.5 888738.7 584558.6 983099.6 459136.7 1362516 1330779 1159054 515032.3 724723.8 845327.4 603178 349275.4 615087.9 929082.9 786930.3 785686.9 1097031 787949.5 758044.1 683044.1 754097.1 537277.6 696510.2 386743.8 876489.7 1322329 520955 640656.6 704983.3 323478.9 620341.7 985641.3 539729.9 575787.2 707743.6 575271.1 878906.9 596782.3 771140.9 473601.4 624334.9 1155763 788738.6 819837.3 769415.5 501130.7 590292.8 1105870 636776.1 731651.4 1026903 402835.2 720232.7 534167.6 476563.7 602015 459410.1 3-Dehydrocholic acid 261.4231 141.1666 2681.052 142.2198 965.5702 153.542 747.3728 1526.863 876.9326 1235.93 1909.261 196.6697 1355.924 703.9042 791.7704 247.1211 150.1009 657.8921 1987.233 947.677 360.7467 330.8797 599.7417 1254.735 399.6836 286.3936 1009.616 291.9959 893.827 384.5899 209.4607 293.487 446.8895 2290.802 1481.748 205.1268 366.2674 531.1207 199.7996 3292.704 2816.069 384.0248 2506.696 707.6117 692.6577 2737.238 178.3192 1341.13 723.5127 792.0782 945.4244 633.1919 939.0188 3077.094 648.8719 1646.703 261.7581 963.1586 168.045 601.9078 250.1295 732.2218 195.9787 337.9441 230.8587 1523.292 143.8159 141.3774 789.5951 385.5619 1448.072 973.5312 896.3526 280.4277 2327.013 6934.348 758.824 215.9684 1280.057 123.6627 344.7182 866.5206 532.8781 652.1513 228.2399 1286.214 401.2191 800.3864 135.9588 213.5297 245.5301 107.7982 234.9532 3366.613 452.1598 195.0963 301.1442 902.8641 488.0687 206.0021 1177.033 492.6502 469.4098 610.7198 5548.59 914.4711 1718.595 574.3447 105.6671 228.2505 576.4371 114.1138 144.6363 Ethyl sulfate 118634 477429.3 124952.5 106365.5 124177.4 1293999 154590.3 123686.1 104953.5 99293.61 105010.8 106568.7 101569.4 107166.7 140196.5 144171.1 1302869 363607.2 109563.9 145568.5 243594.4 582115.7 111758.5 106742 111678.5 108085.9 117589.2 122995.3 93835.69 918407.3 308561.4 102868.4 308177.6 92926.61 89665.28 109293.9 475935.7 140968.8 111441.6 104846.9 107157.6 125659.2 118522.4 131421.2 97385.79 202260.6 548529.8 151580.3 117310.1 114619.4 92343.48 555448.2 105273.7 105976 171638.3 114704.1 98315.55 102782.9 112435.2 432307.2 80803.27 101414.5 322195.6 125955.9 82426.69 89212.51 92306.57 110431.8 94489.02 557788.8 139992.4 89792.2 624499.3 563045.8 144332.2 214781.7 91865.05 138041.2 118806.8 98185.99 74765 91962.45 87042.11 103660.9 130522.6 115945.8 214577.3 96361.75 126927.3 94611.45 851992.7 104984.6 89442.19 78171.66 72899.36 94870.85 114028.1 102513.9 111822 178531.1 133343 100924.5 120534.1 95990.03 83759.88 83520.26 129906.5 80348.44 164209.1 277310.1 275501.9 78842.64 55826.08 Fumaric acid 19607.08 19268.18 22325.53 49516.56 21516.37 23772.22 21159.96 18691.93 23247.51 17853.94 18961.79 20499.29 17740.36 20866.52 17990.68 17656.02 19487.79 20847.07 21835.18 17025.71 20337.36 18948.96 22248.24 17977.79 19510.28 16874.3 14994.74 20871.68 23503.96 25193.57 22081.17 11465.35 4736.588 214.3827 263.3729 126.6778 19511.41 19287.09 25946.98 222.0325 19632.26 16866.95 172.5476 16241.8 23413.92 17811.37 71.70981 17907.75 15422.39 15478.63 17824.91 17932.77 17027.93 18924.02 17225.36 19301.04 18277.66 20498.4 23265.33 16832.82 4681.894 282.5198 22776.79 163.2494 2049.736 13408.42 15440.96 7189.157 6014.5 70871.85 2267.498 13786.3 162980 3035.831 3995.449 128588.1 136648.8 606926.4 989.8139 632.8601 93444.44 2428.126 4281.094 3714.567 439.1816 170.3761 24492.91 1901.033 4297.673 10521.21 5643.557 8295.82 362.3157 565.3933 28014.95 143.3131 221.1008 244.5015 24016.46 192.8725 179.3278 18173.65 1461.665 20987.25 23670.34 3947.284 23779.95 19932.9 20735.41 138.6638 26582.66 878.6266 6478.92 Ethyl dodecanoate 96335.79 95796.31 111198.9 111765.3 126410.2 97905.88 129498.9 104144.2 110007.7 103054 97210.76 120495.8 105507.7 118406.4 109505.1 115456.8 130154.3 106165.1 96848.71 109928.9 91336.97 130536.9 105166.6 101187.9 99761.25 109176.8 115206.2 114823.4 100032.6 112619.8 111819.3 109251.3 114470.8 78804.64 78235.69 102950.7 82812.37 86621.92 64769.68 77214.62 70163.85 65744.72 65952.96 59466.24 75127.79 68978.19 95269.9 90476.93 118429.3 70289.62 63034.57 59094.83 50780.13 58059.71 60164.52 60977.59 50114.78 51067.3 60928.34 39236.19 48373.57 60558.65 61350.37 143836.9 111889.1 87046.12 111635.8 105642.9 104306.1 90098.75 128227.2 90596.58 76903.68 97425.8 86084.64 57590.49 65610.2 77399.7 107369.9 87376.4 64100.05 98740.89 82609.03 87313.15 111478.4 87791.1 92945.19 120843.9 112415.4 98943.7 93152.94 108966.2 131519.4 97020.34 82361.68 146723.1 103984.1 114350 111446.3 124155.1 114570.4 82697.24 102128.1 88434.94 97963.93 109122 110962.1 91681.25 94655.68 126707.6 85710.24 99019.55 67880.46 Undecylic acid 74242.3 75325.03 80100.09 86947.42 87142.23 77315.43 91111.61 77573.11 83260.94 93674.31 77919.62 89058.99 91210.04 92462.93 89950.88 79116.57 100574.3 74127.39 73229.47 94380.56 71389.2 88094.44 80789.86 84427.68 86384.25 79345.33 101448.8 94019.87 85477.91 79131.22 89302.83 97542.96 112257.6 88431.1 91959.28 114061.2 83793.74 106560.6 95361.53 110982.8 96890.35 88869.44 94494.35 85449.41 87570.43 90500.71 114624.1 89786.76 109208.7 87622.76 89653.04 78813.88 67744.02 68536 63230.76 83389.54 71519.88 71519.68 85552.23 55309.76 57958.82 84153.28 67676.2 118850.5 96698.15 67992.97 90088.34 82809.67 87220.17 74107.18 106090.2 75556.63 60572.45 79756.64 72066.48 43102.12 48716.17 58652.25 85271.99 72384.01 45222.6 76164.53 70105.83 77231.76 86079.75 79398.55 72036.9 100442.2 91791.8 82815.24 80531.06 91907.82 116575.1 78899.18 60946.78 126913.9 85804.3 94008.34 85891.26 100965.6 93794.34 67356.69 81077.72 65243.12 83357.69 91318.99 87720.32 74238.86 74880.73 105385.8 69502.69 81645.51 54845.98 Cholic acid_1 44698 75946.57 548925.3 104782 89168.13 155067 226545.5 229458.2 272494.1 57453.87 437314.5 70225.9 258675.9 97580.98 92218.88 114422.7 37316.39 203362.6 925051 209785.9 421424.7 65094.34 49106.01 98397.33 66755.92 58021.16 120417.3 889549.2 1499658 80146.98 87591.76 74920.7 207541.3 308818.6 352097.2 62305.12 1465278 431102.6 861429.7 235377.5 248214.8 262585.5 212538.2 590659.1 684184.5 3327342 3021803 149334.5 118055.5 114318.1 187307 53798.08 174107.8 143199.7 237603.6 127423.8 2700889 804628.4 72650.28 124978.6 35933.71 219230.5 252703.5 6247916 81796.17 746521.4 86969.43 56889.18 3679057 674515.4 178334.8 111585 2728823 455037.5 160358 101869.8 255802.7 439426.2 102922.4 2600908 57489.88 170831.7 1343624 99932.62 18300.56 70177.29 66551.91 303976.6 81285.5 92073.85 150034 146684 920868.2 35177.6 105615.2 1561455 49974.64 130797.9 253867.8 475223.9 30552.03 46181.36 187475.8 53303.54 77342.6 32704.84 92003.25 28189.56 61034.49 61430.01 45772.12 91562.87 40946.88 8-Amino-7-oxononanoic acid 119462.5 130267.6 122470.4 113510.4 85772.54 70434.4 87733.93 75994.91 80657.34 86599.93 72462.06 108826.3 82582.19 71500.23 82820.24 84482.33 83826.08 76588.8 69939.89 68663.53 61912.46 89677.94 73210.46 87551.19 75787.97 67962.68 90530.3 78269.79 101794.4 80024.26 83986.02 73770.49 135343 88110.07 78148.32 102566 82681.27 94870.16 81524.8 148583.9 83685.25 88259.17 80815.34 160402.8 85490.36 84711.86 81783.29 87338.75 83476.27 108232.6 95593.64 150695.6 175402.3 73095.86 65111.89 75136.55 66158.93 68358.41 92001.41 61563.75 56574.02 77600.63 72151.76 120966 127918.8 99415.6 84871.26 91622.69 83909.4 99601.16 113841.9 83570.76 68249.85 72506.89 70388.36 49792.91 67222.75 71745.65 74731.48 78946.9 75251.58 67500.26 63553.3 81907.15 79409.45 85311.53 68492.19 102976.2 78302.14 86115.76 114894 90141.85 79127 75523.72 64914.97 83211.15 63354.41 62560.9 76557.95 71721.54 66072.97 62409.28 55059.23 116919.6 65313.4 66185.38 72931.7 54911.5 178412.2 67389.38 52313.89 132209.8 43259.12 alpha-Cyano-4-hydroxycinnamic acid 63920.98 76580.12 77358.35 81850.37 106425.1 68835.71 93286.07 96186.37 106828.7 101020.2 102421.7 91432.87 111562 108485.1 115127.7 126718.5 128948.3 106308 101373.9 118651 116926.2 106309.4 129810.2 120674.6 111546.8 98970.65 114716.9 100438.9 98379.23 76747.69 117459 94211.17 95244.31 15117.01 18573.05 31336.47 44621.93 48930.05 53004.84 60756.26 81950.02 70392.49 102433.4 96512.14 37680.29 50183.39 55309.38 54241.6 63406.09 57479.45 65887.74 80266.68 44913.68 85452.8 71451.45 80179.66 69868.35 84214.39 103566.1 80378.97 92550.44 69929.96 73595.02 24695.58 21284.93 28638.57 30834.31 43921.43 56930.93 22471.15 17369.11 15211.32 13255.53 12963.4 11805.58 17124.33 42355.17 50021.84 68454.48 72997.05 18008.15 27014.35 28612.97 34613.17 83505.66 91365.52 30978.11 19933.05 36286.55 34160.55 25123.01 38421 38481.5 45907.87 47795.27 53409.54 55481.58 57098.35 58167.09 68550.15 70724.85 78964.58 84191.12 57129.25 54676.5 53138.2 56917.96 44949.1 59703.87 36309.68 50161.73 68995.94 78146.17 2-Hydroxy-3-methylbutyric acid 3819021 5106969 3129201 3215545 3404306 9260062 3334593 3307999 3106551 3485788 3561093 3811459 3791529 2465570 2872833 3002327 13787932 4061529 4884457 4386965 2684018 6267284 5881385 3902006 2423978 4667074 2508345 4322255 4299500 7308186 3358181 2848287 3106840 3506534 3310084 3888762 3192429 3930499 2408635 5646445 6719698 3155549 3460195 6159860 3022923 2309981 2851602 2870352 2992845 2811707 6205099 7046496 2592931 1934548 2608331 2128982 4186711 4438009 4710436 2850948 3035842 6064938 7754827 4589090 5054296 3301725 5225125 3259181 3286524 2996979 3524593 3135953 2588460 2615313 2956788 3151440 5931866 2803245 2680506 3283882 3321436 2716962 3896502 3852517 3470348 5035957 5044610 3412008 5330608 3016882 8846721 3552852 5010707 3978821 3489580 3940225 4266708 5176796 4989912 3407277 3041024 3355063 2675887 3838725 2785407 3123404 2641735 4312864 3380486 9359873 8334648 6312751 3413994 Creatinine_1 2404789 2338284 2273383 2599028 2414047 2879643 2429678 2710296 1963253 2794178 2531309 2596123 3063548 2670255 2383314 1731556 2043416 2900752 2670341 2589508 2351873 2340755 2234548 3208062 2281757 2871384 2409112 2908145 4249331 2818914 2886653 3189595 2418892 2621854 2845200 2690539 1512943 2309310 3152849 3088494 3005579 1838071 2961620 3226916 2106909 1642200 2085087 1843935 1896347 1662589 3529689 2492917 2528419 1842404 1783057 2299821 3216435 2174251 3570985 2563318 2719895 3343273 2835352 2215756 2253137 2288113 2407239 2387705 3707159 2645698 2119327 2037781 2573137 2715322 2671959 3126323 3169658 2811232 2475385 2067202 2574097 2621243 2383677 2425177 2692509 3036020 2577792 2242915 3081936 2056562 2821699 3341786 3171261 3693938 2959207 4120300 3388878 3591911 3822982 2782626 2764124 3512628 2466232 2501860 2678539 3081109 2266368 3068696 3441860 3115214 3263901 3243249 2804738 3-Hydroxyanthranilic acid 2259.001 1197.385 1434.611 2044.431 1765.102 557.5206 1524.314 1527.468 1563.925 1749.857 1387.049 1501.282 1934.59 1049.902 1309.338 1041.621 641.798 1431.362 889.1488 1702.683 1282.417 1519.451 859.6815 1286.778 1162.11 1244.67 1507.811 822.6088 1869.991 1294.031 3352.283 2353.994 3733.383 8739.614 6757.255 9515.625 5080.992 5025.772 4367.967 6703.656 7059.707 6453.44 8278.07 6825.932 6762.388 4012.03 5231.719 5578.862 5878.673 6122.855 6075.212 6625.592 8146.104 7808.612 6215.725 5954.753 7715.186 7282.146 14908.25 7618.993 5530.521 8618.156 11338.79 547.708 768.2435 974.1212 767.2453 837.5813 2383.387 1634.413 1316.418 1511.446 638.826 907.1672 428.5922 614.1117 1351.924 614.5485 713.7406 646.3298 747.8368 671.3091 1554.508 684.3785 1291.691 908.1553 1562.206 700.3183 1497.201 1477.645 505.9014 593597.7 540767.6 581.7948 1140.563 1764.854 1602.795 627077.5 1431.845 1393.128 1096.424 1787.166 2509.427 1801.177 805.1265 474.2054 686.7534 834.9769 655.0853 126.21 542.4169 475.4734 2046.999 Hypoxanthine 1092428 717747.3 1437218 587718 797282.9 847770.8 1265021 960525.6 937126.4 1524559 1570210 1209373 1533536 2049989 1599584 1479610 1137280 1392635 2003083 2288669 809667.5 1152307 1848738 1702559 1254708 345440.4 857835.5 1126733 1432790 1204732 1251484 1424000 1093870 1277707 1657551 1515339 522455.9 1200055 918968.9 1142017 2223592 2662620 1702434 1157493 1385402 914220.4 1645104 1382764 1166578 2179552 1259667 1277470 1439624 712721.9 1716873 1586764 1046828 1670269 3845107 1687381 2086368 1918034 1087377 739251.8 2251402 2127140 1013533 1137590 2076515 1461750 1461566 1628973 1323764 2579225 2326376 1811095 1757084 838664.6 575396.2 922326.2 2199595 1138464 3111039 1046451 1160833 1559865 1401365 1563901 1626549 1493512 790156.5 1857562 2476016 647215.3 1130862 1318730 848336.3 2712873 963260.6 1435366 1800561 45634.13 1323964 2287656 1297338 1727197 1487043 1632907 1019400 1422151 689787.7 1044109 1022369 Parabanic acid 23674.4 20744.3 36588.79 32184.09 23015.83 26344.71 27937.27 31942.99 39970.5 29846.28 23146.67 27070.04 32884.05 24133.79 25621.27 29752.57 25251.82 27701.16 29431.93 26508.6 21686.65 29755.73 33551.15 37674.38 15266.2 21770.28 19701.36 30641.7 26735.17 27026.54 29717.59 22206.09 18664.75 34979.99 49759.64 51507.58 55681.24 40720.65 38720.89 42692.19 44033.23 44510.29 36378.73 26837.23 53481.76 36528.93 35749.9 35533.13 28883.29 35766.32 46327.03 32035.24 34866.97 31316.9 34017.81 26147.23 40724.19 35690.72 55023.82 23493.54 34487.68 24611.05 25327.75 31342.89 47859.92 52262.25 40314.21 28584.75 38119.02 35565.25 39708.33 34749.28 32174.85 31401.98 40189.83 32345.07 28603.21 27677.85 29109.53 25411.93 37354 27918.13 27975.8 30608.02 23701.39 33121.8 27781.33 47750.85 37054.57 30163.75 31647.22 41513.39 57842.54 18372.95 40617.6 50659.15 47678.1 56391.55 55390.61 49676.66 48576.52 34421.1 36713.58 48342.61 32359.09 48301.72 41286.44 41712.13 39225.55 36424.87 45715.22 56719.29 43274.41 Xanthine 336936.2 303434 393321.8 244184.2 271992.8 326808.9 364656.1 454407.3 306997.4 334659 352840.2 279205.2 511283.7 300457.1 306199.2 280087.3 253962.4 299590.3 358214.9 367378.9 224447.3 310177 444327 478162.8 261869.8 278595.2 243936.8 279985 322392.1 351962.2 666707.7 400140.4 287022.9 316514 545083.9 476942.5 216851.8 240348.3 166303.4 401821.2 432616.7 462701.1 553227 238675.8 322908.4 179860.1 305536.7 222581 180482.4 484579.4 202300.6 269276.7 273455.2 261311.4 286117.8 236106.1 267019.2 337232.2 909353.7 273770.3 377947.9 351156.6 203994.2 187956 386621.9 335029.8 312013.2 269266.3 396408.1 264376.3 479038.1 466499.1 273514.1 352608.7 435430.9 349889.3 312734.6 245593.6 238658.4 206649 407593.8 452444.7 479272.8 302122.1 310160.5 361202.3 297006 371842.5 366594.6 448609.4 329114.6 2640044 2585802 401350 429135.8 300710.3 308152.7 1810160 278871.7 376917.5 415424.3 237233.5 360129.1 388067.6 320693.1 434599.2 445823.1 410041.6 314261.9 347725.8 302588 316368.6 333732 PE 36:2_1 273868.1 283567.7 271048 249306.2 423146.7 234812.9 254854.4 188200.9 324874.3 150010 300528.9 296370.5 80032.08 236143.4 204588.5 448789.8 224989.5 222682.1 210260.5 265842.5 386668.9 333401.1 178844.3 105431.4 229381 347382.3 217149.6 244984.4 119062.5 276874.3 137583.6 181134.7 231476.7 221843.6 173237.4 237972.1 235679.8 247656.5 182703.8 173375.1 136137.3 215527 127454.1 157869.8 297942.8 366101.7 240999 304233.5 303201.1 215984.5 143008.3 294677.7 238992.6 403578.1 237333.5 225305.1 96009.24 193637.3 333595.1 184848.3 302795.3 148598.8 297741.8 82182.8 315867.1 386135.7 340055.2 367756.3 147137.8 325087.4 4201.67 178693.6 167144.1 213341 276855.6 182820.7 77569.99 218431.5 196492.3 273976.8 83509.22 131367.3 188267.1 174828.5 134536 27274.72 104067.6 232481.5 58786.81 94430.08 41010.48 36433.7 3172.339 28432.14 35927.68 2633.236 10571.98 6762.882 24991.9 25775.4 46023.68 188762.7 96965.93 14437.69 750.2382 33425.44 23242.71 22968.23 21125.69 153352.9 38996.05 16193.75 19622.11 PC P-40:7_1 403844.9 333039.7 327617.4 320191.1 442194.4 416733.6 384062.1 279709.2 479680.1 250620.8 414811.6 364358.3 246895.3 364246.7 312372 645121.1 630650.4 411351.2 355588.2 359941.9 654756.7 780240.2 477508.8 501307.2 315351.9 407491.8 424649.1 490138.2 151551.9 684613 490956.7 472180.4 472457.4 300466 250598 218528.6 410222.8 424497.5 267579.3 195153.9 137236.9 223759.8 338214.7 170011.8 358682.3 438029.3 307301.8 272351.5 377645.8 354832.9 183765.2 430441.9 336718.7 480234 442887 258570.2 79744.23 339231.8 362676.1 324535 359720.5 219373.9 365161.4 308723.9 489041.4 556527 512242.6 595679.3 172754.8 564527.8 125790.9 292023.9 344633.6 489747.8 569569.8 472900.3 135734.7 255233.3 340930.8 635655 185074.4 306927.2 295926.6 599008.7 339359.3 119513.9 315887.5 364310.4 150245.3 344788.4 176557 151050.6 38722.71 76765.65 104674.9 19309 67371.22 57214 19005.95 125080.7 172634.6 384975.3 184553.5 4730.264 7877.449 192423.8 83339.26 65837.17 95770.82 410948.8 159972.2 66637.96 1386.546 PE 36:2_2 4951.842 9078.02 3196.963 6972.435 5419.219 949.3 7869.799 6970.916 5433.281 5739.825 2222.185 2635.564 7514.169 4747.917 1021.664 5160.722 6141.838 6503.049 1839.311 6968.827 9382.481 6759.644 426.8929 11437.78 6094.077 14110.4 12233.61 12456.1 17162.74 2632.458 3407.729 1393.568 7733.889 11657.91 2612.439 6450.892 778.2969 7536.77 2024.412 2522.23 893.4993 22214.1 7401.801 619.2923 14535.9 2227.071 2786.486 1396.765 10727.06 391.7702 672.7393 626.4025 6123.615 11886.63 1277.775 509.7217 1323.872 223.2703 2298.617 2978.14 778.7346 721.8214 3211.588 73412.06 359.391 1876.634 724.9503 744.643 3294.908 4171.474 11375.65 714.5432 1904.06 6879.372 3626.285 623.2699 207.9299 619.2027 1406.298 25256.87 2177.265 11117 6682.099 12887.77 5329.222 522.9944 11488.38 575.8701 1640.364 1724.979 3184.162 8297.596 22672.73 761.3337 2325.944 12732.99 300.1511 16274.92 4981.698 7395.758 2648.63 398.053 21059.14 10232.55 1304.016 4319.228 59688.32 1565.742 11671.04 22421.81 4851.855 1095.8 15176.27 PE 38:6 9708.653 9523.589 11696.93 9927.308 46512.46 19032.26 10504.47 6604.587 7937.931 22371.89 8506.676 11717.91 22651.9 1537.452 8179.72 20622.33 22732.08 15305.27 2371.435 7086.558 19273.9 72890.85 22210.07 30076.42 18762.02 8579.61 18492.76 17994.37 578.0871 31739.68 21057.81 845.9641 6558.94 11881.81 9927.501 528.0456 24865.58 10959.55 5793.167 4730.506 4383.801 3607.891 27448.99 2687.833 10350.26 16350.3 7571.419 883.6626 6785.161 3219.531 700.2568 23576.19 11341.07 12096.38 10570.47 9371.477 643.2815 984.7768 9014.622 9862.329 12678.37 1265.595 5306.452 49472.38 4587.467 4588.776 1367.856 2222.604 282.5304 11690.21 74678.25 1606.792 4968.096 4814.043 370.8626 10346.49 1184.954 3073.973 11082.71 6960.238 8823.393 11509.93 2405.29 8141.845 14752.39 9510.212 8806.353 5380.662 924.3251 638.6417 26591.79 7531.173 4832.955 2432.652 51141.12 255.9426 7928.231 7030.544 1244.915 770.3703 24128.48 5592.6 17869.88 27139.55 7326.584 36548.86 14807.93 1988.098 18311.82 33021.77 16924.81 9029.526 21428.49 Cys-Pro or Pro-Cys 602961.4 556797.8 393388.3 544532.4 733286.5 589495 409860.3 522309 451713.8 385903.3 591140.4 581754 481222.2 580984 787308.9 408767.7 471532.3 531120.5 728925.2 639392.4 683790.3 898452.7 774372.7 459592.9 841353.4 635272 893475.3 500978 565498.8 914923.8 578711.2 718754.3 952206 459265.3 321705 404999.8 387892.5 438389 247654.2 453640.6 409950.4 512045.7 521089.4 470180.1 381865.8 475392.3 517739.3 615521 536679.4 605479.5 470123.8 557770.8 478322.1 446617 498354.3 817691.7 415906.9 603337.9 546808.7 580331.2 524197.5 524686.1 673654.9 398999.7 345400.3 270380.3 411668.4 360849.1 335243.2 419875.9 500018.9 729729.5 574721.2 470958.5 568271.4 518763.9 692380.1 652772.1 714687.3 435320.5 511346.4 472755.7 545770.4 590609.1 683807.4 639916.1 635647.8 421993.3 489728.8 825881.4 806285.3 631732.9 340435.1 553356.2 789754.5 423704.6 478587.9 421800.6 455558.9 627872.7 591167.7 847216.1 723114.5 536347.4 841686.1 642683 509567.1 543893.8 667395.3 827343.5 819186.7 483441.7 749536.8 PE 36:2_3 265400.6 231323.3 213190.4 223315.4 311792.8 222162.7 220521.9 169377.4 306615.9 126078.3 263804.2 248087.8 90748.97 190923.5 154422.9 372697.6 350112.5 231045.5 232795 259712.9 305763.5 516560 225674.7 136837.5 179184.5 204536.1 313621.4 291208.6 103337.7 321471.7 133188 176807.7 188820.1 194415 167752.5 109569.2 237551.5 218163.3 168237.5 165462.7 122222.8 160482.9 138552.2 143324.8 237865.4 299220.5 179146.7 189531.1 195073 140425.1 90399.11 245265 205646.6 303740 259253.7 170386.1 68468.14 283476.8 225135.8 204003.3 167172.7 117654.7 152243.7 276679.7 134539.7 205822.8 167862.2 333359.2 68536.08 190664.5 484344.8 92240.18 136265.9 179650.9 124424.9 161210.4 62265.8 149655 176316.1 205441.3 71725.9 177912.1 194207.8 228561.2 359212.1 58711.28 166226.6 213316.5 56961.49 75413.62 133295.3 106340.3 48186.92 83819.87 185011 28708.82 37502.23 79827.04 50315.1 72931.28 142222.8 179468.2 160277.6 68708.49 34809.88 147628.1 179747.2 74954.28 135015.1 178107.6 107262.7 72809.31 59443.1 Hydroxybutyric acid 1299386 2069102 3710168 1391557 2149872 3565720 2751261 2385547 3253052 1989123 2733092 3413159 2358702 1150018 1650251 1961682 2089096 2224874 2300449 2372820 1440275 2281228 2461487 2487626 1248621 2474496 1208158 1812203 3303782 1886327 1514227 1219759 1347483 2238083 2630800 1842324 1434607 2382587 2790442 3034289 3257900 2963059 2059274 3441240 3561297 1259916 2173673 1229230 2621489 2160302 3085086 2041153 1934429 1668456 1543898 1179030 3782745 1742885 2697932 953086.8 2320973 3134027 4319297 2624885 1810727 3765704 2122506 1028229 1880303 2443372 2132332 3025243 2365869 2411942 2369687 1924372 2679555 1698964 2229541 1718020 2557968 2963824 2285385 2600371 1429200 1889048 2311102 4846323 2984562 2268183 3119609 3705146 3103076 1075647 1056611 1791828 1933821 3840797 5263884 1760406 1820620 1431441 2505545 3491261 1615216 1864730 2200459 1811903 1698851 3566980 2594838 3543613 3093235 PC P-40:7_2 9573.496 6318.198 8043.092 7183.002 10796.76 10165.65 8811.402 6939.516 12332.84 4340.759 8688.212 7826.176 3886.789 11151.69 5849.36 14308.29 15878.69 9332.998 10308.72 7229.129 19160.76 11247.53 7097.447 6671.004 5254.633 6424.001 6145.729 13201.13 314.7574 2448.441 6652.424 4092.942 5361.414 2317.299 6638.785 1029.196 11997.52 15075.65 10364.94 5067.913 4361.46 5966.153 9908.44 4757.891 6075.1 5330.593 1321.228 964.8491 9254.8 6134.843 867.9518 4208.13 2219.581 18200.82 4158.872 2423.586 413.4962 13260.91 12951.67 4526.037 5827.397 2688.896 1805.53 265138.6 6250.968 4495.882 6199.408 19522.36 383.825 10771.98 69565.9 2459.865 13158.35 17246.56 18413.55 12153.13 1004.416 9025.526 7709.842 26145.13 5809.646 5848.288 3406.233 30258.8 20706.92 7496.541 21051.54 14098.17 10201.88 13871.42 15090.22 7015.198 4824.538 1194.198 14320.79 2355.174 2839.234 6100.79 811.8081 10938.78 15788.64 16113.69 12867.19 13989.3 6989.748 48847.34 27887 46280.93 33344.75 75473.53 41575.62 11456.46 86551.14 Isoguvacine 1768.417 2673.951 1844.097 2570.662 1792.053 1037.294 1408.717 1379.421 1390.429 1485.959 929.8346 1497.834 1386.889 2559.795 1869.236 1964.607 2573.984 1640.722 2006.456 1703.97 2063.43 1516.306 2074.836 1477.942 1440.065 1892.966 1916.093 1566.461 1781.54 1274.346 2909.399 2800.15 1441.146 1251.819 818.0611 1385.246 1047.621 1679.447 1781.295 1798.041 2142.711 1460.866 1610.917 2151.256 1694.508 1614.933 2017.274 1828.046 1660.548 1614.245 1589.203 1343.4 1493.89 1254.216 1294.984 1501.132 1310.146 1533.321 3288.022 1678.801 2809.668 2387.657 1754.216 1335.709 862.3366 831.5244 1080.415 1424.956 1487.259 1469.785 1318.821 1692.516 1518.873 2051.141 2662.908 2238.491 1668.168 1326.833 1478.265 2240.578 2183.026 994.7993 816.0316 1179.52 1198.13 1548.399 1402.546 1301.566 1494.87 1265.987 1183.043 789.3007 540.8428 1871.794 1329.755 1290.3 1903.714 1247.333 1228.216 1479.248 1231.111 1941.503 2270.294 1361.558 2095.903 4021.15 2717.64 1790.793 1417.251 2534.377 1554.067 2295.914 2037.162 Homocysteinesulfinic acid 83554.38 81788.77 97313.9 57697.03 55575.69 107498.8 87071.91 79815.71 69661.37 67548.86 53491.98 68528.97 69355.43 63348.97 77744.16 68385.77 63534.46 72924.48 59601.1 60154.49 63621.15 69665.2 91070.56 71430.12 56001.04 72723.81 60325.55 62037.83 69089.71 109292.7 62829.49 74184.74 62356.33 44683.43 36931.44 34209.11 52065.07 38059.94 64819.84 50356.69 51179.97 64340.41 66134.91 55044.62 74309.24 53420.6 61688.52 56934.28 42609.83 72596.08 57791.66 71842.26 69157.43 48522.05 64914.88 49189.34 61200.55 51586.76 132329.3 67259.7 72788.66 73579.53 61767.76 61176.43 31096.5 42159.7 37372.9 40789.83 55229.85 49451.86 83602.18 73850.18 74978.43 90454.86 135483.4 70227.78 65508.51 66574.42 52396.36 85168.87 66498.76 101552.5 59545.87 63900.82 73429.48 70154.15 86949.41 98667.65 61926.98 63447.1 74503.46 72190.29 36179.42 27998.49 44874.41 46217.11 33719.23 53728.96 45901.56 59036.27 18403.23 65155.32 75127.41 56234.96 64784.79 68189.79 87758.13 61045.83 62529.41 58470.08 88102.13 72081.61 103123.9 PI 34:2 1182.608 3455.044 3987.069 975.3673 2357.793 1990.647 1476.482 316.049 4517.754 1384.627 2894.726 360.5363 438.5986 2096.803 815.7332 17361.75 1555.518 3133.366 2735.605 2640.464 4740.502 2583.532 2054.553 291.852 1180.645 1393.56 2472.577 2484.862 186.0807 2782.425 850.3648 1453.138 2666.706 2626.634 1485.34 778.221 6397.567 4126.62 3070.41 3420.975 1353.068 1080.98 2435.268 790.3673 4830.271 8360.195 3493.605 4025.899 3783.224 7879.974 414.9629 8514.939 6269.361 3266.597 11374.29 3179.274 342.232 5735.861 283.8441 9460.378 445.0306 221.4404 4418.993 11808.91 1424.02 983.4213 3098.491 3454.464 179.4614 2009.788 40215.08 550.4478 1886.359 1795.297 1253.729 8360.841 348.9883 457.7026 1577.945 4483.747 360.2449 1140 1724.124 22436.95 23499.79 313.5383 14190.78 8514.403 493.54 1436.551 2074.826 1750.766 144.2143 447.464 1520.573 413.6615 294.2901 1587.376 460.0253 2921.399 461.5965 3688.872 354.6811 1123.993 612.4602 4269.179 6524.457 3373.553 7054.224 8108.998 825.5174 193.1785 991.4987 LPE 18:1/0:0 88308.31 118087.9 81966.67 119385.3 93926.86 53290.52 72084.58 66037.49 80417.65 68376.65 91719.58 91554.38 48853.77 102925.1 59831.98 70544.01 138330.5 77579.1 101518.5 71323.06 117273 86492.24 60136.44 50045.19 54992.17 117013.8 131311.4 100908 91981.99 73223.44 29030.31 61918.59 156138.7 60243.55 44615.44 38315.08 46919.92 93216.83 95667 38747.72 49631.06 60934.65 66506.92 58366.91 95867.33 121803.1 51459.69 59281.9 95297.62 48565.6 58969.36 41151.94 79201.92 99297.92 42245.56 70063.84 55652.09 110794.2 84319.04 76183.89 45553.13 77336.76 56803.07 118556.9 31023.25 33925.24 32103.37 68105.71 63396.62 34356.75 96388.03 28348.1 63152.53 50408.29 55236.03 50080.15 95517.02 75972.81 59393.48 107936.8 28273.95 64796.39 67183.01 98586.4 119549.9 84594.92 122770.2 83375.02 111194.9 45485.93 49740.57 56851.09 36459.71 52218.46 76077.52 98473.5 32238.07 35683.63 79233.9 67464.61 29337.22 53449.82 56128.38 37540.97 90309.56 51188.42 86058.23 73803.02 77986.93 57775.57 58370.86 99894.05 73025.69 Arg-Gly-Asp 3143.286 2285.759 8173.656 12732.96 2942.365 8209.966 734746.6 111039.7 12602.6 144920.8 961.1847 1418.526 3937.841 3317.178 1936.181 5699.167 16752.1 30823.42 6358.902 4608.834 2101.937 3830.455 10063.48 8906.653 1103.694 4018.508 450.288 18759.08 3894.98 13035.91 7468.417 5932.819 10962.88 3040.812 4204.605 4038.012 2300.441 2560.561 857.7225 768.5532 3506.091 936.7714 7785.884 2102.252 3750.964 4646.432 7457.425 3149.927 1981.36 3575.27 624.214 12055.29 4029.081 3912.632 8126.854 417.6498 16399.08 8317.293 6143.501 2875.986 9046.103 3212.939 5005.559 3949.483 2382.338 1161.252 2940.481 4005.875 7436.98 9776.28 16867.47 826.0307 23244.28 28723 2137.38 1492.333 17802.21 10724.64 514.3483 4919.618 2990.639 4501.8 5116.267 4306.724 2165.932 2290.035 3142.914 3727.486 2904.914 6992.455 6075.824 1543.135 1198.341 1175.413 6863.181 3615.682 1597.946 802.896 2239.328 4667.573 32089.51 2308.035 9934.156 761.0563 414.0143 4232.808 2154.631 3335.496 380.054 44155.57 9066.507 1466.707 12915.79 3R-Hydroxybutyric acid 481807.1 575189.4 897066.2 860573.1 2861062 2495311 2012654 1177063 1040258 553717.6 1175743 2519158 658098.7 409276.8 968268.4 581535.3 874075.1 863488.1 875560.6 998360.4 561134 809362.4 746627.1 660798.9 489023 1283580 465754.2 912229.5 1204136 702193.7 600008.2 447637.9 535641.7 1231716 957541.1 618575.4 623786.1 443626.9 769870 1016832 1365192 676654.5 531680.4 1127314 970610.8 389941.7 1007795 2500571 907363.3 515721 1323303 974849.5 511878.6 690480.8 461731.2 344844.3 1645255 624210.6 1020191 279048.6 603839.1 1364912 2941248 457192.7 605711.6 1562244 491448.6 388897.9 530833.1 1034228 510785.8 1364952 887306.2 685610.4 612753.2 546028.2 2863247 1119684 1149012 407614.1 1021151 1154558 778141.1 447505.1 550455.4 455183.2 680212.8 1094124 925115.7 514693 1390740 923537.6 1534456 401366.3 1401022 668491.9 721658.1 2283224 4217066 453248.4 427076.7 580658.7 1385223 2226808 522945.2 472240.4 455759 483896.7 416658.6 1997471 768729.9 1576622 1773548 Diethylphosphate 21177.78 23180.41 26588.9 19705.35 24123.8 24318.87 22550.22 18591.56 24873.2 19212.04 19336 21377.01 19945.44 31384.75 18567.77 23661.78 21576.15 24256.58 24713.07 20456.61 19720.81 22160.29 26900.94 20164.13 20777.89 21061.99 21139.29 23066.01 24028.64 23214 23357.22 31212.95 19141.54 13015.94 12172.26 15290.15 13395.6 15359.62 20053.12 19481.77 19525.84 17319.69 17200.1 21347.35 21441.49 19920.7 19432.93 17606.61 17796.82 18783.59 23815.9 22471.05 20708.4 21776.95 23242.11 18118.02 21567.12 21017.16 28137.4 24022.81 23904.42 23576.43 21239.41 20213.2 13790.38 16898.16 14983.78 12725.3 16872.86 17201.16 18304.22 19724.99 21185.69 22937.16 26801.56 23942.56 22668.65 19857.36 16788.24 18168.04 19698.91 22259.46 17169.44 20963.16 18350.91 20380.08 21864.76 23880.44 21653.85 22055.62 20475.74 19281.41 11492.51 16494.7 16481.09 16542.34 18989.04 15228.2 15996.77 21553.94 20178.39 23460.07 20330.53 16791.81 18172.76 20612.57 20999.49 21800.33 22919.47 17660.75 21142.86 20418.89 20961.67 Hydroxyphenyllactic acid 335131.7 389387.8 258614.5 269389.7 139361.3 336207 113936.6 142899.4 139571.4 282713.1 207741.4 285034 279549.1 342560 228782.4 302277.4 445233 457860.9 851404.3 609610.5 324725.5 314323.6 419805.9 429162.9 377547.2 440221.8 464173 666481.5 404871.2 431700.3 396990.5 465891.2 284698.2 230186.4 209205.5 286480.1 208171.7 269293.4 221059.5 262161.9 265756.6 312142 336804.7 354884 262607.5 260314.8 222581.8 243524.5 219482.4 323316.3 389371.4 298795.1 236256.5 396137.7 193646.5 146504.8 163762.7 233534.7 583829.5 430967.7 244743.3 325322.3 392648 417341.3 283721.6 248985.9 258066.9 299681 279169.1 297338.2 306031 467642.1 305469 381809.8 409025.3 404753.4 439827.6 576195.6 268590.9 357185 265356.3 330612.6 389300.3 425420.5 282863.9 393830.9 399715.3 329222.7 695269.4 503501.5 415930.1 417430 218213 226710.7 227362.2 169945.2 272716.7 346389.9 172695.4 431086.5 229059.8 285269 397240.5 399222 250040 245397.8 310838.2 637084.2 480439 609185.5 518050.4 536191.7 459786.6 Fructose_1 328728 338514.3 400159.1 228509 280330.4 256438.9 323369.7 319839.6 261582.9 307873.5 284531 263321 275572.9 365237.8 307130.4 310291.3 290183 265823 375243.7 347463.7 262422 276280.2 344436.1 286849.6 267886.9 334700.5 267191.6 277673.1 311624.6 366950.8 239007.8 350804.3 279431.3 265274 272871 258511.4 270686 308587.9 248037 260614.9 306581.4 310999.7 291038.5 298694.3 283702.2 271232 232415.6 244214.1 236341.9 303233.6 221046.7 203693.1 246671.7 232168.2 270139.2 249576 247680.8 295928.6 363868.6 239862.6 310477.6 312512 259787.9 265344.1 368347.5 315328.8 296242.6 259457.1 303539.8 261823.7 330489.3 273378.7 263901.7 285703.5 339968.2 266522.3 275777.6 228215.1 181129.6 219623.4 273073.9 302085.5 325210.3 265246.9 239422 260752.1 286288.4 352868.8 251645.5 236604 192081.5 265863.8 204898.5 218091.7 260324.2 311797.1 209739 314436.7 285491.4 264474.3 337149 314524.5 297207 321935.1 256528.7 297932.5 308574.6 289938 248502.8 216769.1 249129.9 266425.6 340136.6 Pantothenic acid_1 51688.46 51754.51 80026.1 35490.16 44493.92 405053.5 97079.97 59919.02 80186.07 137411.4 43537.72 37673.19 42932.53 79682.74 77176.3 57937.85 124910 57428.19 56630.82 47670.34 71966.27 61634.68 52314.19 43248.04 70044.51 72555.21 71522.27 64076.95 46369.69 232098.3 116891.2 111820.3 51027.02 45959.7 37343.1 35696.59 24366.65 71645.68 423851.3 38518.04 41111.48 48324.68 42447.47 54331.6 65124.47 40519.66 174294.3 29474.12 70704.63 51476.02 49152.36 261072.8 47319.8 34706.31 48804.94 58508.2 53728.23 55493.23 45265.37 43142.41 60272.1 59694.62 59232.32 65580.62 32457.54 59819.81 31598.38 41210.36 37484.63 106547.4 55100.86 50307.92 192988.1 248608.4 56303.03 52450.4 29899.54 36114.75 64205.91 60032.94 46771.6 47826.37 43530.73 68202.27 63656.33 32116.9 47236.93 81526.98 55538.55 56857.27 297247.3 202765.4 165171.5 35595.58 33181.3 30997.24 29448.37 94999.11 56220.62 40679.74 49158.89 59504 79094.21 57356.96 59420.24 54628.1 46472.76 59659.11 51328.36 54081.92 276844 34195.09 87100.33 LPE 20:2 12476.5 10499.62 5911.571 14484.12 8263.138 4159.562 6878.131 6775.457 7805.377 5394.602 8309.533 14153.94 5297.195 13040.02 10759.55 10736.05 11942.41 8724.889 9110.117 11838.08 15875.28 12990.97 3398.854 6452.279 11243.94 13393.11 12771.72 11093.07 10149.31 5812.965 6435.727 12504.4 23876.4 11791.72 8608.599 11758.58 13595.26 18197.44 10226.44 7340.799 7986.863 10249.35 6608.482 8053.106 10339.99 12835.4 6882.468 9120.223 10153.59 4303.132 9947.402 6874.402 6710.211 13037.31 9573.398 15517.95 7613.488 10412.89 14296.63 7068.635 4286.869 10941.09 9565.858 12404.5 7295.165 7630.204 6459.824 16306.62 9837.615 4470.112 13003.5 4986.601 6869.748 6279.877 9448.407 6068.357 14236.9 17948.21 12141.74 14270.7 7571.56 8567.555 9421.203 9034.658 12741.74 7775.519 9304.825 7726.408 4033.314 6024.189 4956.566 7088.095 19448.56 22174.44 16811.3 21511.69 9374.276 9429.661 10607.32 7359.835 4681.161 13612.66 5370.069 5706.18 16503.64 5516.859 10849.46 6682.307 7552.018 151.0282 5892.595 17136.41 14093.71 Allantoin 1431955 1167775 1832213 1614267 1350788 1513619 1582302 1630964 1914226 1518082 1379966 1523384 1775102 1306362 1350247 1460787 1543396 1627811 1604706 1432160 1028964 1337182 1600959 1801540 1104018 1175489 1305893 1643557 966311.6 905118.8 940326.2 804712.4 737898.2 919006.4 1072436 951652.9 896539.5 785753.4 912039.9 859958.3 850553.4 1040105 1123930 934865.6 1318457 925415.9 841634 819463 702281.9 930397.5 1267075 1215247 1077450 886354.9 1116454 759792.3 1198454 1125498 992188.8 1129702 1220802 965815.6 967441.5 947793 1125180 1370057 1223380 894619 1282751 1039214 1435218 1096363 1029687 1001454 1210674 1066597 1085511 1126480 1027104 1008248 1323344 931950.6 1032647 1012157 1082819 1212075 933371.6 1520209 1143498 977593.3 1136888 1420400 1309717 1103151 1044627 1184113 1286328 1416338 1352894 1247298 1336433 1191890 1156816 1456757 1030759 1407404 1088405 1145721 1074959 1135608 1328721 1543906 1211816 Fructose_2 19374.31 20842.16 24037.1 11114.91 15312.62 15094.63 20146.84 22707.23 13316.2 18156.82 17446.34 14741.8 12607.04 27125.1 18388.28 21324.2 18803.98 14161.69 27829.16 21667.74 13804.24 16251.77 20855.7 16959.44 16929.18 25164.8 10745.6 8075.494 50345.11 75398.95 19438.78 58033.59 31579.39 24560.33 24699.19 19006.36 19849.97 30716.41 17974.34 17066.57 24964.53 29806.22 27389.01 26139.96 22988.82 20458.35 14182.3 14470.71 14665.98 30151.81 13248.49 11452.32 20315.25 13794.79 22272.55 16729.46 15545.15 25079.48 36994.66 20611.78 28376.37 30751.99 23121.45 18518.44 36784.99 28197.2 22386.66 15342.23 23863.38 16937.88 28684.15 19013.51 19169.07 22791.42 33711.98 21493.06 23401.88 14864.26 8226.611 14831.3 22649.3 22900.06 30562.41 18766.92 16847.19 21259.12 26239.14 34012.77 20117.64 17811.4 12342.66 19481.11 14585.87 13447.46 18140.52 22264.24 10643.41 26222.68 18457.93 18608.05 27825.99 29575.47 29216.05 22297.3 19432.23 23514.26 28134.77 21063.65 17664.73 21269.08 24098.7 16109.88 37383.49 Phenylalanine 1144868 978201.9 1272732 984089.7 919595.1 1040129 1155441 1069923 1030739 1053044 1137227 1056155 1222524 1116813 975930.1 936926.1 1027589 1110064 1099795 1243955 1008424 1243036 1169983 1032110 965663.1 1081961 1041703 903228.2 1341669 975003.3 1330222 879949 881984.2 764184 791348.2 884203.4 730879.8 827354.8 840463 1004297 954746.6 925194.9 911614.4 870804.3 829389.3 741733.8 742137.8 717720.6 715992.3 762969 786243.6 775484.3 711222.4 813860.2 828276.1 900384 864973.3 833917.3 1029597 690182.9 795601.8 1052432 823156.3 902936.7 950244.1 909363.5 967646 918301.1 965576.3 960126.6 1029996 1001267 878463.5 995175.9 1009671 866848.2 811481.7 948437.6 955016.1 859274.3 940434 1027247 904406.7 908808.2 947082.2 874599 951604.4 923055.6 1017190 903368.2 860934.8 993020.9 1003457 897289.5 976441.6 993822.1 953000.9 1028398 868191.7 928127.3 774802.5 964562.8 850195 996339.5 1011212 833795.2 962779.7 1022745 928732.9 1304942 863107.9 850065.4 867000.8 Glycochenodeoxycholic acid 3-sulfate 80985.75 62969.9 93894.56 57112.69 24339.88 164445.6 93679.66 340993.8 88072.86 159927.2 159354.3 69768.84 799491.1 78868.68 52521.6 116235.3 281435.1 206320.1 82860.96 150407.6 147056 95059.12 59687.37 849836.4 25521 94736.73 152360.3 194992 99169.65 111731.8 41778.33 122134.1 84816.01 98360.28 456351.1 74197.78 136891.2 141237.3 251534.5 151342 386243.9 118268.3 739835.8 275663.1 53942.77 149157.8 36090.88 56530.23 169028.1 73992.15 145655.2 105155.5 174930.2 42267.04 307290.4 80410.85 218784.3 62272.03 92717.75 173415 40462.33 107465.8 380869.6 172941.1 27440.28 63953.75 71893.99 77399.11 164916.4 28490.01 232649.5 153463.7 46447.23 32703.75 155529.7 192667.2 143488.4 95819.55 53553.09 109190.6 223623.2 168294.4 110182.8 153869.1 114494 114578.7 59786.43 64053.76 194070.7 116984.2 296102.1 361637.9 217450.5 93276.73 32234.49 413358.3 85518.38 283509.8 376391.5 149407 22571.71 39241.21 92828.84 30892.76 119472.6 55450.24 111969.9 127530 136847.2 209606.2 87959.75 58289.41 143585.1 Kynurenine 49865.12 43053.74 124446.8 56196.65 31780.99 49573.84 41521.13 38132.86 59187.68 46956.32 33073.87 47953.25 60311.99 50815.4 32580.42 44719.78 45671.92 50271.83 37914.55 32202.65 36488.13 32966.94 42069.16 42397.81 30115.33 38464.21 30194.81 37958.21 38074.99 38427.39 40920.52 40798.66 26064.42 29236.15 30009.26 32685.63 41707.35 35641.5 39243.59 42406.15 43191.32 27851.33 36252.4 41353.77 41384.01 41388.07 29269.2 20206.28 28128.53 28568.2 28893.35 31761.5 34469.76 31778.9 47201.39 31385.95 31208.25 28602.9 34395.19 38708.87 28490.12 38056.19 27609.99 33444.03 29120.34 46076.4 41239.27 33620.87 33274.3 42831.15 42341.45 57811.86 37078.13 40905.51 39482.41 47802.61 32833 43955.65 30624.29 42227.6 29072.46 41823.21 29047.49 47609.94 27270.8 34151.26 36480.68 53542.08 35155.71 37057.34 42130.86 39182.34 30110.65 29989.32 31514.81 32700.09 37820.49 35041.05 28802.45 32963.66 29908.77 29834.06 38357.02 24590.16 25704.81 31864.34 36788.46 33785.62 37823.78 36397.57 35597.11 36686.51 34408.49 Isoleucine 2174402 1707791 2459192 1805159 2038590 2376074 2549450 2335105 2333873 2062288 1938331 2583465 2821146 1761936 2112473 1752247 1889984 2402723 2497586 2706469 1721045 2166456 2656602 2576890 2016584 2529072 2401946 2363778 2625020 1473072 2245030 1436789 2008262 1805852 2014654 1978158 1450726 1654058 1868016 1833430 1784193 1950450 2154964 1998049 1940498 1400897 1892811 1508802 1471739 1647274 2162210 1535804 1690628 1332760 1518382 1937991 2378730 2170151 2164440 1743700 1788252 2114281 2316549 2057861 2241555 2401423 2387180 1642036 2340215 2166207 2079230 2144138 2201976 2170880 1910294 2148686 2222257 1904590 2087450 1760419 2030399 1755215 2185921 2043402 1762077 2112675 1649015 2733132 2351187 2038964 1930261 2583685 2589952 2005390 1875343 2475338 2079235 2467868 2682101 1759742 1751186 2001299 2235775 2385715 2218891 1883664 1818725 2413644 2219622 2695905 1861061 2637500 2093930 Dopamine 3-O-sulfate 45106.68 18111.3 23809.95 17774.86 27672.26 25316.92 22018.15 25533.58 28191.58 44287.47 8704.492 21318.28 26075.55 43178.16 13339.89 10839.74 23943.51 17864.19 24884.92 11774.68 31965.91 57257.59 13801.07 32217 11222.69 33796.68 22319.97 65667.32 14010.63 28832.07 22375.2 37173.72 17488.72 24449.95 23296.87 43690.6 8013.831 24709.13 61891.56 19261.53 15982.08 11215.36 20512.4 30870.51 16990.28 14083.08 16008.67 7101.136 16704.6 19696.59 14045.99 30417.82 9119.918 10578.84 8414.755 12725.45 11518.62 18092.3 13390.05 11661.91 8664.642 18665.34 9514.135 27862.01 9040.452 31949.82 11609.75 28742.61 11490.34 18142.5 16026.62 15521.96 18063.62 27912.54 23051.66 10402.08 35593.96 18308.69 12803.64 31098.99 29542.88 20781.03 11678.21 67200.34 38896.32 49230.29 17896.87 26755.25 27464.6 20631.71 41451.66 21589.57 17640.21 20898.15 20326.43 12504.47 25326.39 16841.99 9966.735 23580.68 11028.85 21476.63 15655.16 8642.675 16486.14 14999.77 14339.89 14379.67 8375.598 11309.84 22191.75 94876.15 20471.79 Amobarbital 16109.3 18694.3 17062.29 7893.662 16243.63 9825.098 9607.392 26364.43 11643.99 15444.48 13966.08 13473.04 12060.45 17953.54 13960.42 10969.49 16714.67 14207.97 28452.26 26808.12 10081.88 9884.762 17186.9 20004.5 13850.85 11605.64 16978.54 12008.46 17877.8 30085.29 16130.61 28230.1 30751.86 6956.121 22117.58 15181.47 15315.49 23088.34 18314.07 8108.598 18669.66 18896.23 21030.41 17149.92 16341.08 30967.37 19143.68 23517.49 8342.128 20899.43 13174.64 8533.705 14341.25 10072.57 6952.699 4622.607 6035.789 12751.18 2091.624 7105.636 5582 8171.943 10451.01 8964.812 21484.48 13709.91 12812.76 5697.027 21446.15 7647.925 13915.32 8864.432 12107.33 11847.52 20323.46 10551.32 12273.19 9781.645 7180.015 12756.56 10577.03 22147.83 22834.43 13400.06 8683.476 16059.67 26721.13 18276.74 5384.794 25946.74 12495.48 18169.94 23871.43 15240.62 10025.76 13104.48 5772.326 15606.07 25660.03 45519.96 20361.21 39957.88 22692.22 32310.65 19043.16 17513.32 46663.57 25006.94 7429.856 19059.38 33551.96 34333.99 24449.22 sn-Glycero-3-phosphoethanolamine 173335.9 151688.5 252970 201596 200176.5 218456.6 215754.3 251142.3 224919.4 212817.3 193161.9 218552.3 278190.1 212774.1 202513.1 186362.4 222536.5 219754 304443.7 220731.8 210621 215478.2 208791.3 258161.2 185961.3 161954.2 197750.3 202355.1 288987 174270.8 269686.5 183458 108708 155001 197128 132010.5 126808.8 66064.64 63619.19 29661.5 204593 145398.4 81073.22 147495.1 126110.2 150084.3 50648.83 44033.45 150409.8 61246.65 29897.67 175715.9 114856.9 163182.7 169700.3 227633 175724.7 290909.9 329022.4 149206.6 128822.5 29091.97 126900.8 182584.5 206730.8 223842.5 183948.6 163938.9 24005.13 170554.8 212877 200279 177498.2 209993.5 208297.5 189381.3 196901.6 191029.2 208482.9 179647.7 185333.9 200319.1 183911.3 196578.8 185934 189490.9 143893 187780.7 178836.4 184673.5 168497.4 189111 181410.5 153192.3 141499.4 141780.8 157033 183957.4 160093.8 144275 143883.2 153557.3 128719.1 61760.69 169319.7 161077.8 94514.46 112651.7 160234.5 134549.7 61294.31 151546 164036.3 Mannitol 40282.68 25004.33 36945.4 34448.13 123005.6 34245.38 62111.06 42569.96 104890.3 48974.18 20828.32 16650.03 210554.3 34989.17 21308.89 20966.74 50083.42 36790.91 29130.69 20660.67 20156.02 166211.7 23564.44 39129.65 23886.18 20618.66 22475.67 29036.49 107713.9 39234.14 139287.9 129054.2 24598.95 27595.35 91070.85 28618.9 29737.28 39397.12 31736.15 49595.02 35657.32 28111.52 60881.52 67695.78 26346.7 26169.75 209939.4 17424.06 21001.86 69521.25 42640.6 39532.96 40940.81 21615.41 33043.72 27666.27 90291.69 34676.89 37500.52 35555.66 19673.01 59022.83 39812.35 37244.51 20473.78 86323.39 60512.22 20952.3 82894.24 1276474 24745.28 22636.09 220373.1 206898.8 34367.64 36564.71 29940.68 31142.99 31710.47 27918.58 26120.09 24818.47 19152.72 24804.45 40631.95 21390.17 33154.58 19189.48 17753.15 49772.49 127413.7 48317.57 28621.62 153752 57364.09 752557.8 58056.68 34355.73 104191 51167.27 28998.93 63627.12 66606.33 20118.33 39283.71 27341.43 27381.24 128476.4 36654.16 44612.77 47348.27 30383.14 154785.8 Cysteine 847.9825 1022.978 1091.105 484.5879 822.1913 2130.439 1229.4 1201.321 741.6366 1091.421 790.0423 1391.539 738.9845 729.9778 989.9179 885.4212 1798.259 633.208 522.6416 876.5092 962.8976 838.2797 532.5659 721.7081 921.4082 481.5521 2783.116 1021.114 887.7548 771.3694 727.1753 780.4193 843.417 978.1549 909.8048 1141.333 1040.709 960.7546 990.6172 1275.11 724.3117 285.0968 1386.159 694.0981 949.0862 954.3128 763.2201 986.7725 1265.707 964.5895 780.4245 571.4075 763.8806 747.0295 803.0802 1074.091 759.4479 411.3345 451.3088 697.4605 539.325 451.5502 634.5473 619.5254 875.986 745.2176 617.2211 522.0661 386.7165 512.8903 564.0311 535.5337 413.7696 415.5842 917.162 481.9579 275.9681 398.8131 781.0823 1037.095 952.7389 739.9232 476.3191 708.0746 577.6305 671.5626 461.1889 651.2595 543.8321 823.1246 1031.139 572.9194 527.7763 845.4375 1096.284 449.3592 1013.396 899.1712 614.4456 894.4931 816.1518 637.12 557.6017 924.8004 481.4127 623.5543 974.5155 789.407 776.6935 772.7706 941.3892 534.797 918.6693 Chenodeoxycholic acid 24-acyl-.beta.-D-glucuronide 3666.8 398.5209 20125.49 17995.12 3255.919 21926.39 13376.25 9417.392 17687.56 474.8551 44477.97 15492.37 17437.76 9973.319 1157.831 422.828 5078.429 3251.68 75213.33 11824.63 24467.54 8911.531 857.7045 5527.293 283.8595 2881.996 4941.491 502.809 6639.432 11117.46 1994.522 11898.99 564.8585 1405.096 6035.347 272.1892 306.3324 8369.271 34927.77 62254.04 37628.74 625.8554 9222.046 14355.81 9267.017 675.7944 40186.05 899.4186 2395.587 374.3817 8128.869 7849.771 314.7133 1155.966 787.5589 1205.241 11920.18 68395.68 12456.54 349.758 3244.117 27090.95 18929.88 19511.73 487.454 14035.41 690.6437 972.5788 7734.125 6103.136 355.0651 2099.873 12450.54 5968.076 29520.93 621.712 750.7614 18426.59 1300.484 33492.95 13299.32 809.8892 75480.02 3198.797 680.7507 16406.64 361.8387 22336.29 632.3422 864.4181 22928.52 502.7599 648.3722 11294.29 1989.116 4276.376 2699.244 412.551 5563.579 31459.67 407.7801 15049.49 3663.065 713.9166 717.6484 609.9596 633.4077 777.2461 466.7689 17727.56 3572.236 8122.622 7169.684 2-Thiopheneacrylic acid 28986.87 29636.43 37847.38 33997.23 29380.57 38898.44 43463.81 29984.16 43067.75 28958.15 28700.2 32568.68 40660.26 29859.83 38749.46 65940.5 39892.97 32177.77 23117.96 34600.73 32378.59 31622 48772.69 45290.11 35461.19 45766.68 47950.24 39142.41 39199.21 30900.92 27141.15 30665.34 38545.75 28797.17 27822.92 23054.85 32249.43 34352.18 29028.53 27100.93 26555.98 44158.93 46477.45 28021.63 34551.44 40721.6 26613.49 27248.39 27252.07 50025.78 33589.18 39821.04 29509.73 39802.84 38449.2 36339 37239.43 26610.15 51743.95 33552.73 37133.25 28854.25 27383.18 35075.29 37861.43 38162.45 51196.05 23275.96 34398.47 26389.63 57918.93 41816.31 30962.59 28322.34 27921.92 30934.59 40036.06 43259.8 36312.27 30416.21 38757.15 37312.75 33147 37307.4 30617.48 34688.7 34888.9 36671.7 27710.4 40733.72 30178.11 44530.34 42427.42 30363.76 32967.49 39738.11 31150.38 41015.61 32807.52 25130.09 29945.81 35375.64 28919.66 38033.53 34105.14 37903.42 61255.54 40933.14 37890.45 27318.42 33057.61 35294.42 29564.55 Tyrosine_1 2274909 2208951 2546930 1931360 1816688 2074785 2264890 2351116 2410820 2899452 2277293 2166374 2913730 2474692 1975024 2290964 2863591 2796599 2589826 2639135 2494286 2554145 2983108 2278521 1872744 2281863 2169912 3128528 2376309 2111180 3422344 2011335 1927357 1782477 2224436 2479072 2243701 2747200 2686426 2614088 2400878 2358810 2517077 2298038 2104285 2171583 2085694 1453754 2033064 2261124 2033390 2083409 2369921 2277097 2227896 1929541 2084249 2162527 1776438 2529440 2358372 2558932 2458798 3239663 2608543 2237625 2597948 2106847 2229376 2372832 2840677 2236090 2191662 2834718 3066162 2682958 1946284 1995443 1834844 2319275 1898002 2500928 2299612 2813716 2046828 2282766 2227013 2268654 2805693 2475851 1952527 2432184 2705443 1939462 1810520 2393873 2114327 2633310 1979435 3171752 2038392 2068258 2417306 2894805 2089698 2501083 3121822 2934539 2889182 2705332 2329058 2210128 2326268 3,4'-Isopropylidenediphenol 34179.02 42465.58 37838.39 18225.36 36637.05 19969.79 32633.62 40405.23 24439.2 25688.1 29111.7 30413.01 25924.15 38207.02 33969.3 30236.79 30171.27 23389.58 44562.24 42058.08 31934.59 27438.68 32620.88 24184.05 21074.29 23888.48 23686.8 27838.83 21900.94 35966.1 20273.94 34084.41 26976.94 41856.12 56113.06 38866.68 51697.57 46393.5 66794.02 25181.27 41332.23 46492.28 41809.81 32900.12 38010.99 44819.8 43334.51 46740.2 29424.64 46816.66 25289.72 25137.57 50258.99 56395.24 36087.79 32568.33 26384.08 51614.74 40575.42 32134.9 41093.26 39718.08 41153.9 28332.22 39455.64 28568.93 27680.84 27096.25 38020.65 49591.63 41920.7 32903.81 41907.56 50811.37 54619.53 32844.08 42527.18 20896.44 17323.93 28923.55 33763.14 62652.65 56707.97 26948.34 23999.83 23166.65 57859.27 51238.44 24383.4 45621.45 29672.25 51458.31 49872.61 28738.64 50897.46 53495.83 26277.28 24862.56 36697.91 54207.64 36647.35 49643.81 43254.34 45915.03 42079.97 38890.64 89499.92 46780.56 41922.7 38067.3 34396.16 52981.76 65061.81 Pyruvic acid 57487.76 48572.81 69378.65 72898.9 59737.36 68697.33 68869.09 78757.65 105979.4 86936.9 58359.37 67197.27 83972.55 60308.84 66844.28 69726.63 76120.73 76821.64 76685.9 72836.85 58838.56 78869.65 81750.68 92262.09 40667.78 48375.68 59979.15 81113.46 104634.8 75873.4 85409.37 65190.03 50882.91 110221.7 134093.2 120976.5 116929.4 116826.5 87314.91 92138.1 90249 106212 107937.8 72046.5 197138.8 127539.1 97495.26 101298.3 103121 120019.7 164534.8 112708.1 139322.9 102518.8 100589.5 83841.08 150187.3 110741 168629.5 84290.4 135378.8 93664.07 111075 93741.51 96736.23 127148.7 87341.58 67136.45 101542.1 92670.29 147840.5 92006.27 91058.89 86472.38 113295.3 91449.1 82158.04 70557.52 81380.16 77567.16 118933.6 83292.86 81927.82 95729.75 74844.94 115156.4 84918.87 145989.6 103710.8 99150.08 114903.1 137339.6 179060.7 156899.7 124223.2 164565.8 162966.3 168311.1 167503 146779 140071.9 127201.3 131020.4 208529.1 154272.7 207694.4 180496 161316.5 177904.3 174028.6 197569.8 205552.5 180229.8 Phytosphingosine 1-phosphate 57600.63 76962.25 49560.44 26930.75 50117.88 36264.19 33262.61 31113.99 28161.91 35590.83 44529.82 40750.4 23475.96 39464.51 40579.28 37082.85 44862.27 24533.04 49414.6 53642.09 45872.23 37433.91 33920.88 21770.83 34110.02 56486.8 42266.25 22423.81 31900.34 47455.67 26575.88 35779.68 40802.05 46305.52 32312.87 37068.37 42530.79 55927.24 22876.2 30911.31 35656.64 42117.43 32783.86 41318.67 27692.07 31570.5 40561.02 35542.95 40861.59 42934.88 21255.11 25450.68 34795.06 34026.87 37719.88 31057.66 26278.85 38223.57 53077.21 38482.12 37112.61 44450.94 45962.07 46713.11 36526.08 45192.91 26728.15 36869.91 52082.19 40260.91 59321.91 41210.39 60116.52 60754.25 75104.63 41979.18 44460.08 34931.01 22188.96 66096.61 57701.83 65083.07 56873.93 64029.17 37693.04 44279.9 55217.38 42216.13 24607.14 41626.93 25259 52478.46 45919.03 31595.94 59530.05 52134.63 27977.86 23628.06 38171.02 53346.95 48809.45 67229.65 59560.1 46841.38 42814.15 23534.8 59985.89 39566.5 41973.94 63425.79 47857.27 48495.66 91531.25 Glutaric acid 13207.19 10792.03 11014.93 12398.7 11862.93 9223.487 11325.86 11863.09 13394.21 11988.36 10881.32 12839.26 10316.53 12950.27 14116.58 12260.91 13108.41 12186.64 9434.424 10009.93 7736.62 9009.54 8549.39 7386.381 13533.72 8127.134 8699.859 7889.427 11511.91 8937.103 9261.154 8567.329 8375.448 11175.11 10495.92 11561.31 11905.19 12321.35 10235 10223.45 10368.15 9516.325 9259.061 9590.899 12317.77 12776.88 10030.47 13970.32 13306.08 11494.09 14211.14 10771.77 12406.21 11910.77 9958.261 11941.55 14836.02 11953.26 15116.76 11129.19 17020.92 14913 14971.38 13750.76 11396.64 11669.82 9310.439 10774.19 11337.1 10489.14 14132.73 11235.7 9949.121 9874.836 10452.12 10220.08 10576.75 11211.5 12568.51 9869.593 12460.69 11305.06 10254.48 13053.91 10749.84 12129.15 12345.84 14431.95 12682.72 11976.96 12922.32 13286.62 17574.41 15748.01 16797.72 17694.94 16257.79 16156.22 17162.94 14120.55 16932.01 14585.2 17147.91 20603.36 20321.37 20981.06 19462.7 15475.83 16508.62 17930.44 17772.65 18849.04 18283.32 N-Acetylhistidine 12298.63 10806.7 11156.39 8883.856 12756.47 12218.63 14392.75 9579.756 10306.94 8819.014 8181.836 10293.89 7474.043 14472.4 15614.51 12390.65 11328.2 10222.22 12202.34 10547.43 10979.79 10608.14 14461.13 6543.489 14257.14 10403.23 14051.49 12750.04 7750.564 15198.77 9912.913 16948.82 15635.22 9946.197 8289.761 12947.28 9526.238 10350.67 11928.51 13106.5 11663.89 9347.96 8449.426 10714.86 9443.643 10494.56 8864.189 9583.39 8757.443 11465.26 8591.451 11069.64 9748.108 10832.28 10994.86 12095.61 6877.538 10534.5 10400.25 8539.703 10499.88 11886.89 9177.179 9552.649 13802.64 9084.701 12735.75 10813.78 8523.218 8541.163 15702.18 10031.23 8714.937 10157.48 10299.42 9804.394 8949.842 9604.157 14732.44 12350.91 11613.49 15390.49 10259.26 11207.97 13016.47 10848.56 12453.66 13578.44 14491.46 11642.71 11539.23 10840.02 7780.851 7811.376 12333.66 6765.419 9206.233 8405.599 6471.499 7366.25 10095.01 11297.46 9193.925 8288.746 12651.33 9896.067 13169.94 13081.83 9131.375 9349.232 8154.097 10178.66 8638.291 Acetylcarnosine 6754.454 7462.756 4183.855 7612.727 12240.03 9528.828 6062.225 12000.22 4483.064 12789.72 13317.2 6206.862 12976.83 8104.618 9666.937 7796.067 6888.302 11294.71 17584.83 12461.56 6346.514 6563.166 6752.914 13008.67 7353.823 6372.608 6872.696 9700.326 10342.54 9089.877 9139.054 9202.659 7122.986 6839.427 9222.671 7216.551 5627.221 7169.716 10064.22 12969.15 14177.17 7831.746 11494.17 12971.17 4390.762 6981.961 6878.945 5281.789 7023.277 6486.398 14326.35 8966.531 9084.111 6331.996 5336.906 7441.601 7825.57 16055 12617.92 9158.363 7840.731 13047.48 7287.381 6030.091 4500.603 2733.317 4478.43 6637.947 7573.982 6020.805 5223.129 5222.856 7617.961 7459.031 6814.438 7717.5 10189.61 7632.039 4450.231 7764.523 10349.08 6597.06 10743.74 7569.433 6439.203 15857.97 5196.618 3622.561 7937.332 6471.098 9890.313 24817.37 22570.44 10865.89 10467.96 10208.2 12637.16 25545.5 5887.095 5999.863 5652.024 8608.654 6085.175 12278.9 4705.406 7045.275 6248.777 5736.187 11187.84 7956.102 10525.49 12199.8 5884.558 Glyoxylic acid 246151.8 212612.7 203394.3 163853.9 244487.1 144788.7 159948.5 151343 211941.1 178658.2 255476.3 203255.9 203159.4 181467.5 199843.7 209864.7 190278.2 196581.2 185017.6 205641.8 174045.7 197788.9 212440.3 158034.7 314168.3 222031.6 184506.1 175900.1 191379.4 207100.4 171000.5 190593.5 262990.1 131171.5 167206.6 158171.9 149425.4 139797.4 93465.74 216665.4 154077.6 157345.8 229585.8 209190.5 108382 131627.9 141092 148418.3 132470.3 160236.3 171942.4 182374.8 169507.7 173082 262819.1 168553.8 172738.3 201770.7 12357.21 242343.7 254053 267893.1 237791 203462.7 145333.9 203747.1 202306.7 190178.8 241173.3 138706.3 296156 177333.5 134737.9 129113.1 161698.3 195151.7 226096.5 250019.9 231098.3 234838.9 180046.4 241078.4 262666.8 182025.5 311183.6 193638.9 228383.2 188396.2 182915.5 201584.5 182699.4 253543.7 262851.1 209589.3 224649.6 221369 245074.9 203104.5 205978.6 230651.9 266105.2 308910.5 229231 277170.4 213536 277456.3 239385.5 265036.3 269337.6 320092.5 251656.4 222631.7 229899 Proline 617.963 475.7431 1109.098 695.2802 936.1359 984.698 874.197 1075.367 799.4233 1053.966 752.0732 663.1043 791.2866 1570.366 960.701 1071.243 858.7622 707.6627 1711.996 691.3763 757.7069 736.417 792.1694 847.2422 1235.587 1181.926 1065.417 1235.701 995.8581 1295.681 1241.59 1285.743 1347.963 953.5676 822.017 841.816 794.0097 781.3972 1098.71 975.7429 946.4746 849.38 686.5677 1038.619 880.7332 1052.972 733.0278 581.0692 461.0803 703.6936 962.8074 836.9418 542.5594 1036.602 1746.25 1155.659 942.6476 996.2467 1451.335 589.8624 632.2123 1130.319 766.4468 665.7257 1064.943 863.125 932.4208 401.4841 1056.161 845.2327 911.7274 660.4234 712.2122 843.6711 1682.852 689.0994 861.8319 799.6306 1150.33 675.5432 624.0005 1005.789 379.219 669.7376 496.1739 1028.661 384.7591 755.4911 930.7135 822.7213 1089.577 1104.628 681.0679 1105.602 638.1001 570.8264 912.4035 563.9028 767.5133 1116.744 988.5967 822.2545 652.8157 786.248 787.1565 645.8885 1666.52 769.1475 1005.342 1073.936 567.9203 1143.944 585.8579 N-epsilon-acetyl-L-lysine 34250.6 42734.72 48598.2 32094.83 48515.47 56915.41 50038.4 47000.38 42561.79 41456.27 38267.88 35443.02 36480.59 42972.4 48361.61 37869.05 37249.94 44666.1 42634.05 46276.78 39211.73 36398.13 50390.11 39727.07 36157.96 36202.36 42546.54 39468.87 38661.03 49688.25 43275.86 43009.15 41008.5 36706.79 32574.69 35914.4 33828.85 39974.49 53420.16 36897.45 38888.73 45414.45 32769.76 39616.25 38838.33 32823.37 37544.57 30628.94 34267.17 38645.47 30111.05 39139.35 41206.47 37647.34 33252.49 37645.5 34346.29 39492.09 44429.98 34920.14 39884.48 42935.28 40767.05 41306.55 41281.11 34784.06 38388.75 27670.34 37383.91 36660.5 41256.35 35086.46 37404.24 38489.07 41803.66 36272.38 33181.61 26049.23 33044.43 35328.43 29667.25 52473.25 36582.68 38785.77 30961.69 32834.1 39489.42 45033.97 39321.57 35636.05 44309.66 38084.54 33097.42 35273.34 42614 32861.65 23524.85 34302.93 29187.17 34372.33 36237.99 37030.58 33831.2 40994.64 38058.47 34152.79 45730.88 33529.69 36277.81 37753.75 39612.28 31698.5 40317.35 1-Methylhistidine 6281.27 3151.962 3401.494 3203.521 2606.166 2767.305 1173.75 3157.884 1986.431 3000.602 1518.321 2345.427 1532.994 2595.67 3068.398 1907.865 2181.785 5010.507 2011.203 3292.649 2231.257 4012.551 2797.564 4620.912 1187.304 4035.147 2349.668 2732.247 4466.527 2738.021 2022.47 1588.809 1979.918 1635.148 1049.548 1830.726 1113.101 1087.671 1888.911 1149.774 1339.324 1276.408 1496.43 1638.278 1463.566 1578.053 1340.054 342.8437 1085.562 1721.08 1940.633 1061.976 1622.329 1078.839 1074.697 1323.576 1819.57 835.978 672.1303 954.3751 1806.894 1562.118 1422.077 875.444 1677.752 1839.252 2147.506 1729.299 3474.965 1626.067 1044.918 711.438 1681.899 1777.876 1362.293 2036.359 623.0664 962.3885 908.5909 522.3598 1297.419 1249.633 1249.443 1525.546 1375.187 1254.567 1303.918 2418.045 2124.026 951.1231 1664.658 1809.921 4315.831 2465.649 1595.3 3873.202 1490.93 3063.877 1943.743 3000.598 1253.134 1018.089 1443.607 1607.57 2354.923 1752.8 960.2186 1217.404 856.9758 2420.488 1988.1 1106.035 1551.243 gamma-glutamyl-L-isoleucine |gamma-glutamyl-L-leucine 18573.22 17265.27 30011.35 17499.83 28220.17 29060.37 26997.73 26487.7 37936.5 24341.38 22062.63 24402.33 30628.66 20020.56 25019.57 21675.11 24256.92 31125.42 28244.03 32929.26 23736.1 26342.81 37532.54 25848.83 23695.1 28016.76 30316.05 33142.31 32640.99 26678.78 34241.71 23484.38 32537.98 23784.02 25272.54 31764.59 25815.12 20223.97 27871 26456.45 29443.12 30767.9 25464.66 27818.78 29707.16 19942.45 41524.1 19301.14 22507.08 25996.39 34821.21 23115.71 32051.62 21814.91 25450.93 27251.44 32178.37 43283.21 21875.99 29180.45 24134.01 25962.79 34356.91 21414 33929.55 34617.3 33294.25 18119 26135.14 25518.12 24663.42 26060.68 28669.88 24446.35 19208.21 27925.31 23286.15 16966.12 24644.24 17209.46 22152.04 19257.73 28138.19 24105.58 17604.14 22590.18 17887.32 39983.67 28268.93 23865.6 22486.2 30554.81 35169.09 25829.81 25264.96 28297.65 25456.01 33512.48 29821.66 26453.93 17296.76 23643.13 22709.55 28241.43 26250.82 17971.15 23378.66 25563.95 31597.71 35098.56 23650.39 30288.58 22992.83 o-Succinylhomoserine 507304.8 471751.2 456264.8 483075.2 575186.5 340190.3 390494.7 426067.2 382500.3 408101 441820.4 466362.7 449768.5 519406.8 463702.2 399919.1 396049.8 386176.3 499046.5 436975 452707.8 499969.2 457255.6 427889.2 467764.3 469421.8 535533 471467.6 475058.1 371238.3 488324.6 445275.5 431307.6 416697.5 398157.9 447942.5 444654.6 486573.3 548318.9 547641.7 523513.7 333240.2 400542.5 453273.9 378701.2 441822.4 357704.1 411908.6 304794.1 349888.5 430697.5 331977.2 331002.4 457753.5 375537.6 482257 327416.8 428221.5 538531.8 293893.6 380950.5 516939.6 366137.9 379673.6 453947.9 378898.8 395193.4 496379.3 370082.7 346955.6 333617.6 380366.8 340397.3 369045.8 488416.7 319342.5 399703.5 378901.4 492555.4 321944.9 398911.9 429372.7 372915.8 395709 408021 568171.3 450252.2 387858.5 489814.4 377467.4 322790.9 372531.9 323362 457869.2 494657.9 419778.9 519617.7 446880.6 488388.6 462472.1 445983 485306.3 326135.3 471566.8 546352.1 447016.1 432921.2 457229.3 364295.5 389239.1 381360.7 532742.9 414254 Creatinine_2 444.259 634.6931 1602.026 481.1533 357.6885 662.6699 1327.939 969.2458 1047.385 1017.851 714.918 1185.224 1140.464 556.0742 1100.874 1444.246 1804.442 887.0741 364.8142 780.7624 541.6496 347.3561 651.3707 951.1258 736.4202 528.1058 793.5172 618.1658 626.8912 533.8715 1159.79 281.6241 475.702 603.2925 1110.936 654.595 738.7967 726.8161 716.2277 545.6648 362.8446 851.6444 466.0333 355.8685 759.4987 627.8014 585.8428 635.3213 519.3783 614.7129 276.26 345.9834 479.4986 509.8365 581.5332 424.4389 860.5511 307.9529 310.3489 173.0195 752.0025 246.1625 400.9665 1799.411 737.0436 1718.702 668.5875 473.9161 1075.221 968.1357 1373.123 425.8434 876.1957 1026.746 748.4135 498.1366 517.9263 609.998 1297.498 1785.431 699.963 1234.953 626.6099 1227.133 311.3039 351.6805 549.6134 2528.741 802.0543 1007.294 311.0559 485.7674 354.7967 238.3086 276.7129 561.0817 121.8041 475.8269 428.367 333.4317 521.3102 206.4183 1161.11 501.0834 650.4093 750.018 1066.864 923.5168 384.7079 661.9107 244.097 264.9673 1078.548 Citramalic acid_1 42149.8 32297.58 8753.089 47366.66 34230.53 36213.84 25071.51 20465.29 6677.228 21082.98 23502.07 28534.39 19372.52 14673.97 30580.61 11592.06 41853.39 22997.28 11592.95 15737.86 31254.85 39841.02 17128.69 22120.13 38077.1 29527.77 17670.45 16008.98 14294.56 14968.97 28769.4 22542.14 25829.31 20731.11 11722.32 15962.59 5945.873 25930.57 158411.4 5707.581 6242.291 8079.465 17079.05 7093.991 6072.416 13167.61 22860.48 16140.72 27998.4 15651.92 12131.15 28715.05 14124.47 15375.04 5625.498 33605.6 17056.72 13947.48 17023.79 15983.09 14684.24 5283.431 12987.29 24820.51 14000.06 6296.701 17699.42 35479.51 13771.85 23972.81 15109.35 16953.82 25410.3 30161.81 6494.055 19386.35 19464.94 28344.59 24715.27 26896.99 19802.38 18839.91 8731.325 27549.33 48773.62 38807.86 21120.51 5000.183 23792.82 15087.67 29083.58 17941.93 11099.64 16029.81 28326.4 20361.11 34242.91 18968.45 13980.98 11741.35 18113.39 17595.58 35716.02 7837.741 20750.89 13227.37 10934.4 16902.77 15878.58 17883.2 18804.29 17295.96 26506.45 N-Methyl-L-threonine 23107.22 21362.16 5924.963 15359.16 17261.48 22737.33 11487.99 14447.98 6132.095 5744.002 19119.83 18628.92 12705.02 31981.86 15883.18 13964.87 16407.57 21807.22 12478.14 19702 10715.82 30380.59 13426.39 9841.295 15216.69 6376.853 17257.35 16621.17 18904.24 19495.21 20039.87 32246.24 14611.03 9887.073 12525.95 18942.04 13087.47 7669 19013.81 10359.65 9255.445 7866.34 11700.74 11658.09 7017.772 13420.29 22608.77 20603.9 8064.023 11952.01 9995.032 16305.37 17933.38 13619.74 18142.85 15481.9 15211.79 8732.015 25701.85 17927.82 15436.31 14443.66 9408.134 7219.212 14610.41 4942.671 9090.484 27100.12 16618.83 14785.73 13318.45 11219.62 18606.2 20807.23 14936.39 17995.83 9083.994 12862 13273.04 12936.17 24513.33 19352.01 18161.63 10340.59 23750.37 23223.77 23303.52 4733.835 14218.11 13703.47 21531.83 14379.97 10979.57 17423.7 18775.68 27177.06 40539.66 9937.982 21466.34 12446.01 14182.57 17939.99 16242.76 9569.659 16401.7 23178.58 22920.53 13921.82 21035.17 13136.01 20584.65 26531.9 18914.57 Glucuronic acid 2732.702 1028.473 557.5352 1778.017 2302.592 2156.874 957.9833 2089.629 1368.394 4482.475 2023.648 2411.301 756.3893 1445.009 1036.272 1290.796 3084.95 723.3032 1045.327 993.0616 592.1832 1998.003 916.2471 892.7562 1859.738 1287.567 1085.849 958.0475 1482.785 1996.587 1342.044 1715.824 1278.264 1355.504 924.9124 1736.954 973.0857 1915.444 2009.368 1483.792 705.9478 881.8114 812.605 757.4402 992.0529 1661.129 1185.134 1361.563 1552.931 1653.304 1317.734 2155.902 1649.732 1981.854 1088.665 1388.337 918.1307 905.7879 1063.164 1753.131 1155.891 772.7011 1221.946 1028.456 1029.127 1337.695 906.4084 2643.031 1391.556 975.461 1304.916 1004.63 1759.053 1459.553 1104.543 1559.889 815.8246 754.1686 951.2549 1052.648 1200.078 708.6256 906.0284 420.0661 1490.354 1237.735 1367.138 916.1041 799.6487 686.263 1346.366 1052.438 1067.567 785.6876 1725.181 911.0794 811.7622 729.7654 920.9389 934.5875 1212.906 1484.327 1193.914 322.3612 2048.3 731.0165 1203.087 776.0962 566.9343 845.28 938.3081 2684.618 683.4943 Serine 318437.3 294038 358260.9 354956.5 411411.5 220617.8 381525 410920.4 359720.5 289625 366865.2 439066 433861 362654.8 462828.7 350403.2 398172.6 323593.7 371027 373354.4 371104.1 276257.6 345288.8 384374 416579.3 437165.3 475612.7 317739.5 506327.6 250095.8 424237 290569 399217.5 386707.9 369244.6 307242 305610.1 309542.6 337710.5 369392.8 385494.5 359499 355654.6 365775.3 305057.8 321663.9 309850.1 399726.8 292149.7 308619.3 314153 210771.9 252590.3 314040.9 286263.2 445134.6 352254.6 320904.6 420606.7 225079.8 381323.3 406524.8 331987 329056.4 308228.8 313091.6 251667 244945.3 323940 299960 338041.8 380427.4 304816.5 322866.4 323664.2 247072.4 343629.8 350349.9 441541.1 297292.9 294428.1 342568.5 351511.2 303285.2 272746.4 291815.1 296454.3 316548 344262.3 336172.3 197535.6 363186.6 359896.1 259926.5 433934 410523.5 277200.5 337500.7 415600.7 291344.8 374608.8 323071.9 410724.1 482234.2 471866.1 378750.2 340971.9 348663.1 263844.9 343151.6 218540 336077.6 431795.5 N(2)-Acetyllysine 5845.473 8203.056 7182.641 5982.598 8069.721 6812.271 12391.08 7509.446 8119.259 7338.896 5705.201 5821.248 6942.664 4103.373 11049.48 6426.472 9357.044 7471.473 5233.818 7139.772 6868.231 5930.276 16967.05 4798.16 7646.024 4642.704 8774.053 5549.044 10605.11 9974.222 9462.209 5212.978 9602.92 5447.087 5522.137 7346.898 6587.961 10167.57 17076.53 5688.186 6943.996 8028.942 7780.481 5837.409 7379.83 5477.019 7408.209 4698.927 9718.205 9395.499 6418.843 6609.607 7414.407 7339.045 5629.754 10382.31 9008.501 7307.049 10577.31 6782.77 7846.944 7018.558 7697.432 13158.45 15675.23 6753.38 17706.69 6554.656 10595.42 7642.194 7227.747 8179.056 7833.855 6908.15 6645.71 7560.454 5839.16 5912.979 9287.685 11923.32 6427.084 9542.813 8245.353 11044.44 6975.04 6530.281 10117.55 12556 9412.458 9774.315 8191.823 8947.042 6206.642 6270.202 6647.226 7280.092 4613.081 6725.372 7528.44 4913.272 6272.791 8160.839 6503.138 5672.829 8579.248 7014.544 8321.586 6857.748 6958.538 7381.124 6876.289 6767.304 6470.18 Gluconic acid 1118243 1048834 1202907 867504.6 1272772 943700.6 946831 867664 1107562 751611 718569.3 806493.3 809309.1 1316993 910144 1136422 1230921 1064434 1005122 769996.7 883921.2 1070411 1156290 794869.9 944295.8 782477.6 992933.4 1014223 874362 1055276 1043540 1420752 875439.3 669097.8 748588.8 730358.5 832107.7 885694.1 1595256 913221.5 807698.9 590546 661218.4 829946.1 890229 979517 1003678 753970.6 781274.9 838299.6 888192.9 880196.3 859085.3 981813 1035093 834245 747113.8 964437.3 1148283 913804.8 1087599 972154.1 536960.9 1005977 993512.4 1105303 1030306 1021024 890753.1 1096262 1211514 837199.6 1095277 1362935 1124423 1026086 788028.7 906028.1 844070.5 854186.9 749820.3 1172621 736460.2 1196030 1145125 825237.2 1110533 1041439 914032.9 966545.6 927613.4 912646.2 805733.2 1037755 1311935 904129.2 740636.6 774511.6 728091.3 1060458 1120331 1072522 965601 834799.1 918505.9 1214927 1195262 809870.4 1124419 652363.9 892140.6 822141.5 1011019 Citrulline 1405519 1599371 1166994 1339834 1752155 1446947 1350770 1260716 1465664 1187280 1227858 1211581 1386983 1936238 1206993 1642501 1460375 1547973 1362387 1558063 1353979 1655869 1512199 1238084 901804.5 1054915 1268317 1476209 1690133 1447194 1807645 1930270 1227610 1067671 1167432 1143140 1698594 1193400 2009007 1543780 1523571 1512200 1303669 1676445 1298590 1550366 1507345 1158967 1180707 1090719 1611902 1283637 1306230 1367762 1432004 1193659 1553188 1608801 1814027 1232601 1420576 1837109 1145750 1399561 1300156 1150710 1423641 1248277 1320813 1382514 1804976 1182197 1397385 1545469 1352819 1276576 1291375 1028938 1177560 1258828 1147450 1616330 1489963 1188090 1568686 1273387 1731912 1388105 1257949 1216723 1333099 1251264 1105031 1239485 1669892 1479188 1167975 1042717 1414243 1430637 1365733 1361387 1365304 1601677 1218734 1429032 1620846 1304118 1461580 1235024 1279218 1198289 1532787 Pinosylvin 277876.2 209214.7 211143 208102.7 257600.3 129433.7 197237.1 132983 231079.6 195050.3 279160.6 245458.3 197421 173132.6 206094.1 214579.9 194164.6 196391.1 172995 194425.5 222145.6 210528.4 190028.5 148078.5 263036.7 251069.7 205767.5 192959.3 193267.8 190846.8 183454.8 171986.4 246945.1 279278.4 223480.3 243206.7 256346.2 205769 93601.29 290013.6 189996.8 225232.5 270272.6 233938.4 202462.2 202406.5 210271.2 246376.4 195719.5 193830.6 184099.9 213382.1 222533.1 240807 341276 243134.4 226437.3 260274.9 10622.22 275504.2 325012.1 299212.2 296260.2 231638.1 192698.9 225629.8 263483.6 253828.4 211785.2 225962.3 319098.9 349853.2 195697 168635.2 201669.5 186006.6 234352.1 369843.6 290916.5 236432.6 239843.4 241306.1 266486.9 245785.2 352051.5 180576.2 247120 265744 259092.3 221217.4 196956.2 300059.4 289576.4 234614.3 290367.2 286622.3 264982.9 255015.3 252391.5 259371.5 274897.5 324978.2 185374.5 317772 265366.8 329925.5 255287.5 320347.7 344758.3 293674.9 253334.2 348118.3 248852.1 Glutathione 274898.9 313582.2 189442.2 175422.7 328565.5 142036.7 107639.3 80945.86 153487.7 237428.5 226620 174925 46422.77 154818.8 366764.3 100296.3 137653.9 146923.6 193689.5 175152.6 109230.8 192494.8 164949.4 51471.53 165224.9 315689.1 206931 108844.5 178456.3 228435.4 69385.97 150775.3 181487.1 165977.6 84770 200216.5 188979.5 330214.4 135584.1 111533.1 185911.5 217272.1 159510.2 267738.7 100712.5 125383.4 105979.7 327572.4 294376.4 299961.4 255637.5 205013.4 229923.1 182962.1 96355.41 315198.1 262923.9 363302.7 291131.9 320431.1 262542.8 229630.3 348556.2 85050.61 92288.38 90255.53 175227 268722.4 400441.4 72838.99 23343.5 40771.45 35693.01 34971.63 50450.04 83770.98 249226.6 232735.6 183512.7 243195.5 21702.26 61828.33 103086.7 135060.2 269429.3 153474.5 116853.4 68402.95 74800.74 128420.9 136364.1 214158 138069.3 200110.2 209702.6 241488.4 157622.7 151686.5 166121.4 136762.9 194732.5 439964.5 291793.3 143179.3 182488.4 151562.6 106371.9 98958.88 143944.1 202184.3 151421.6 132936.2 146538 O-Desmethylmycophenolic acid 7010.669 364308.9 388465.5 4136.353 1444.306 2925.506 2398.004 2661.291 577.2842 60.3777 50.32354 509.6757 222854.6 49.93033 140721.2 63.84767 377.0033 8186.338 493.677 27.38606 97.06505 1412.1 182164.3 25.82828 164295.6 87.3348 167.5819 18711.17 3151.098 4275.756 376.0626 418.8856 193369.8 153043 157016.5 134643.8 36.74924 167.448 52.53344 556.5293 482.114 256469 122.6842 696.062 17866.76 698.0734 2023.674 647.7145 5.64254 593.8079 549.8936 2256.203 146957.5 1043.374 203539.5 378.7766 2308.692 560.9299 152.3256 19.49763 173318.3 165512.6 144321.2 1762.115 841.8945 742.0229 1192.386 2485.202 1753.994 421.9421 693.1223 291.5748 1809.213 107427.6 125877.6 221.8204 77.5019 885.9827 339.7182 106039.5 131530.4 141728.2 150806.8 1107.675 560.3306 70.41712 114.6094 73.90322 272.4069 141521.1 2286.105 356.4107 357.2781 1676.386 308.2441 21.53316 249.7169 342.3744 1155.765 117244.8 206.9849 446.5626 244.9303 17.07658 75.43649 289.6933 18.86195 132419.1 42.00285 6.857748 1327.971 1554.275 119338.4 gamma-Glutamylthreonine_1 403629.3 448286.6 470761.7 686484.9 694013.3 488863 352949.2 306249 594983.4 368294.4 415181.7 586635.4 538902.8 316212.6 415099.8 624875.6 367320.2 371638 273696 562327.7 680713 626988.5 467486.7 281798.5 547596.6 285636.1 476901 510814.8 470200 464168.2 705637.7 634767.2 522983.3 438912.1 352036.3 406640.7 502702.9 308388.3 520851.1 328811.9 596100.5 445637.8 418498 639192.3 327176.6 460926.5 469245.2 361292.3 278954.1 350025.4 431878.2 314508.6 399510.9 281309.4 469592 684040.1 427787.8 545096.6 26481.35 354264.6 505226.5 375189.5 332355.2 556196.4 303084.5 634884.3 453866.9 460201 721996.9 631549.7 391054.7 604587.3 622195.9 412980.9 419693 286309.4 621839.9 673438.9 516497.9 398823 437854.1 500059.6 438010 658603.2 780396.1 286296.8 348417.8 575696.2 700897.8 493871 402930.5 344257 411904.8 653518 391710.3 352064.4 497033.7 602422.8 546618.2 470751.5 302820.3 658649.8 254032.7 635181.7 341636.4 367020.6 409839.7 523768.9 392362.7 432023.8 623535.9 751808.3 514933.3 3-Hydroxybiphenyl 3741.141 3442.671 3892.101 1580.812 1621.327 1047.169 1477.985 1558.282 664.5997 1782.069 2055.986 2279.117 2447.898 2043.204 2200.959 1103.486 1126.227 1520.96 2398.506 1337.389 315.6114 2619.756 1550.367 1341.647 10656.41 1461.619 2186.381 1207.169 3623.839 2072.351 851.5377 612.0678 2989.804 2168.823 1991.734 3360.206 1084.837 1452.861 580.0923 1830.239 1372.899 1846.899 938.7294 889.7401 1532.15 1669.828 1451.269 2212.245 1847.604 1129.602 2150.645 2751.777 3063.005 1829.422 3016.162 1068.152 2418.455 820.1233 573.7207 904.065 4377.919 2222.834 2180.821 1135.484 1588.352 1367.368 1045.296 4379.595 2904.122 1795.983 2989.501 2267.479 2538.893 2429.388 4167.279 2802.98 1593.292 1750.262 1895.019 3056.13 2647.071 3478.081 2622.246 1522.11 1393.946 2130.639 3025.013 3601.327 1060.736 2411.796 2604.968 598.5075 766.1661 2025.187 2742.015 2421.619 3212.996 862.4119 2242.97 2633.48 1958.972 2296.64 2039.296 2431.611 1963.445 1687.927 2078.408 3350.191 1418.513 2297.498 1866.084 3156.658 2712.773 3-Methylhistidine 5437.882 12884.24 8386.866 51586.42 3658.954 66216.5 28613.98 47146.59 43893.8 72855.57 16297.99 16388.59 27843.56 396.9237 25878.56 2966.383 130428.5 37736.94 2818.029 32916.21 46817.99 77429.36 27190.35 24819.97 5990.68 19980.24 809.1886 12112.66 27152.11 33296.03 113852.4 751.9309 13756.72 30220.24 25569.57 7983.173 33675.91 38888.55 104738 41918.31 64163.92 3000.643 4250.362 48710.76 55142.3 4238.618 48997.06 3129.302 2341.856 83673.03 14957.42 14089.23 49104.1 3608.066 3157.89 941.4521 34692.46 137.7109 183581.2 13376.74 13140 24107.37 16905.35 96798 16290.61 104180 55076.53 17200.13 151355.3 115166.4 66137.28 19635.37 54552.47 10486.88 71803.73 32567.54 20190.66 3471.582 28076.44 2912.469 42125.31 29708.64 34432.28 57614.58 2028.204 76580.68 30953.18 19681.39 13629.48 44970.85 73456.14 11386.09 23326.63 123998.5 7908.465 37280.49 62659.47 48221.15 68303.07 33129.45 41576.25 53732.79 87893.31 30019.52 43426.67 78023.5 48899.37 7565.037 9375.707 113824.7 89172.63 104078.7 61407.91 3'-Hydroxyflavone 104713.6 83103.78 90098.85 39014.42 34792.68 36268.31 28409.08 36237.74 23759.87 36298.68 42537.19 37763.53 42762 37150.76 35288.99 21157.55 20717.83 23272.88 37701.04 37229.79 12480.14 61384.08 40465.21 26579.57 158797.1 28624.8 50309.49 28355.31 54346.12 34839.26 15565.5 14047.85 55309.56 46066.97 42812.72 54122.8 15266.94 29227.8 14009.35 44680.02 32572.68 32542.17 25694.61 15047.16 24724.32 21541.54 21258.94 34794.28 34236.69 24379.24 33439.4 31891.37 33833.85 30089.47 53605.65 17319.18 50356.48 12213.94 101.3688 10306.47 47650.97 40230.25 43040.48 24221.33 52938.89 38014.77 35357.19 76741.95 47212.43 16141.24 44153.87 24982.51 22026.1 28468.25 37445.1 25651.21 19010.1 13921.9 16445.76 28127.46 26800.79 36050.94 37541.8 11870.24 13084.09 25325.82 21208.13 27815.75 18338.87 37955.87 39922.05 1071.353 6281.53 26454.01 24003.03 22293.76 32190.91 11619.07 63367.96 42112.42 23044.16 12680.84 15612.39 21628.07 19439.92 15996.33 25140.13 23463.92 17008.75 20140.74 42220.36 20599.08 36728.33 Glu-Asp 2529141 1060177 1102264 1407723 1807150 1424660 1438480 1278822 1978730 2419119 2412435 1540970 1080479 2116682 960502.2 1198964 1626290 1500887 1929826 955011.1 1022010 1485178 1141673 1531078 9247329 2154891 1420047 622635.7 2144117 2587707 705953.8 481707.4 1282724 933751.1 828681.2 708774.2 418681.8 2213985 698993.7 1316882 473066.1 622534.7 537004.3 356024.8 1264435 1430697 897113.3 1873965 1830328 1315306 1061869 1664284 842702 1938318 977198.8 606833.5 1115256 382181.8 168.428 1227712 1082642 877350.8 620575 1359654 1326581 1425951 592894.7 3426807 1244523 670871.8 1233818 1583326 1506365 948800.8 576946.8 1066618 1347858 581869.7 587634.4 907569.7 1014440 1205460 952045.6 621652.6 600289.9 1020267 1893933 838585 783828.9 1133287 2308506 522523.6 2183469 1715051 2116997 1848241 1635037 577794.2 1592475 694194.8 1942861 659096.9 1396150 1549856 1636666 1399422 987737.2 1022322 682705.8 1772856 1643139 1554095 1453836 gamma-Glutamylglutamine 584173.1 474596.6 445181.1 402552.8 518708.6 392410.7 418059.2 500987.8 319581.4 354378.9 591092.3 438055.7 270283.5 537339.9 597638.9 383364.5 299969.1 384017 545466.2 696003.2 568363.3 590630.6 427943.1 276215.1 465356.7 543298.2 623729.8 379491.4 615098.9 479555.5 524714.4 527011 599690.6 468813.3 374474.8 507919.3 451688.4 607721.6 487967.5 453362.5 525230.2 420390 421680.6 475232.6 367096.5 452864.4 516860 616442.1 552617.6 550475.1 538292.6 345740.7 463445.9 393964.9 378643.3 620548.5 448844.8 405098.2 5202836 384194.5 418737.1 494795.5 562326.3 478320.2 531271.4 404570.2 424290.8 516149.7 622703.6 479331 282877.7 464094.2 515904.6 470766.7 534294.1 427446.8 525995.6 479906.2 459061.6 468663.2 409101 385350.9 568260.6 505544.8 513500.7 576343.2 451897.2 384354.5 399058.3 521627.3 391129.8 361066.3 284904.6 632777.6 746278.8 539782.3 634092.8 432585.7 543060 423714.3 445581.7 677109.3 508568.8 531795.8 600553.8 465491.4 348559 476889.9 481269.5 608728.4 515705.9 572394.6 447186.4 Ser-Asp 21187.4 27337.35 22455.26 11012.17 24996.72 18479.38 13215.68 11300.08 13572.14 6735.029 14661.07 11023.67 11620.55 11500.48 11350.33 8810.975 9162.841 18054.45 14619.51 14758.46 17099.93 14508.19 12144.21 11607.09 8731.624 6237.097 6565.698 13765.14 26622.46 10898.58 17496.4 12632.97 14491.62 8513.915 9310.362 12125.59 10918.87 12392.45 19688.68 14450.82 18005.22 8845.024 11563.06 14895.44 12257.66 10636.11 9441.776 8310.583 12144.55 7200.651 12256.45 12784.06 12578.95 11912.83 9704.086 10594.07 29089.05 12825.65 72573.38 13957.54 9798.016 14030.08 14869.7 10091.4 17557.03 24358.48 14325.38 10128.7 12712.21 8949.262 9271.201 12231.3 12112.37 10697.4 9952.174 10136.32 15096.99 11871.55 10074.97 8482.719 11806.67 11985.38 10696.13 13770.51 15796.53 11931.53 15053.17 9274.902 14197.07 8247.433 14481.72 15618.99 14980.59 25481.02 22364.96 30655.65 17981.57 21493.81 28655.86 17743.72 16271.52 21666.32 19167.19 16976.95 19527.56 15829.18 11590.2 32919.31 13480.05 16707.06 18390.76 22119.05 14154.55 Dehydroascorbic acid_2 3475.044 3090.297 1367.927 2915.099 1907.777 1744.151 1516.204 1160.01 536.0335 1159.146 913.0216 1070.044 617.2962 452.9726 712.5993 282.4999 889.4118 734.6375 502.5544 381.7279 609.7037 809.243 638.5663 516.7619 707.3864 712.4353 556.5193 613.6891 636.2364 417.5761 1040.945 751.4268 581.3499 2051.084 1062.999 1297.577 792.6798 1260.152 6381.146 1072.782 1473.746 1819.088 1105.026 282.5796 512.5056 950.1851 1342.708 1978.049 1255.381 902.716 839.8633 1172.532 598.491 668.4369 323.2747 698.7516 492.1223 453.1055 1266.959 1415.004 660.5298 585.4091 896.1579 1000.522 1400.544 438.21 1024.497 1573.352 722.9097 1328.934 1015.696 622.2321 1121.959 1313.428 539.1028 503.1361 947.496 1036.02 1011.462 886.701 622.6459 635.8601 540.7121 496.1669 1800.22 630.5994 440.4698 474.1051 564.2338 470.9392 775.5118 315.9056 1065.429 573.9101 1004.605 864.7565 1030.743 834.4559 594.4854 565.8139 807.5642 874.9692 585.7685 545.9391 1011.905 653.3283 1190.483 1095.574 1232.456 1205.022 1551.839 656.3579 938.8328 Aspartic acid_1 267086.4 183468.2 172123.8 170153.4 174371.9 159948.3 166224.9 161245.8 174206.1 197351.7 200978.8 163211 147017.2 212302 159647.3 148039.5 158050.6 140287.2 185221.4 142540.2 108507.3 183731.7 145799.4 124998.1 383694.3 166604.4 154198.1 103969.2 179698.6 191260.6 117886.1 91753.45 152625.7 123227.8 122894.5 140428.2 84245.85 192540.2 104684.6 151538.7 120455 114468.9 95730.14 82009.45 116891.6 138753.5 111041.7 173084.3 179100.1 128825.5 141582.6 145213 111602.5 160996.8 126312.9 107663.1 150798.9 87886.56 122103.1 119601.2 155717.6 131055.7 107221.7 138048.5 157262.8 137428.7 111373.3 273596.1 165756.9 123264.3 149959 145334.9 146067.9 137364.7 111111.3 130875.1 142616.7 111233.5 115146.3 136235.9 124321.9 149103.4 129384 114439.3 118577.3 127120.3 162393.4 134361.2 127241.7 156053.8 189240.5 94367.7 160384.2 155426.9 162497.4 139690 150656.4 101290 177584.1 101289.4 138748.5 118716.1 116475.9 142977.1 144445.9 126552.3 129007.2 126033.2 100047.6 133000.9 157230.2 136564 143121.1 Lysine 1616853 1381653 1957308 1240474 1514343 1668099 1626168 1992117 1987676 1744235 1672338 1370184 2026268 1175176 1841751 1408510 1802303 1807853 1558656 1941506 1724935 1600477 1882636 1848952 1721708 1522782 1826426 1491683 1911856 1545479 1868965 1169321 1650267 1559352 1745063 1714552 1172526 1731797 1619371 1550445 1381070 1736669 2037871 1527223 1754108 1269669 1456839 1180167 1550130 1534317 1212531 1498538 1510845 1650096 1298420 1691753 1475782 1468685 1665633 1290026 1733413 1656206 1702846 2162747 1665646 1720468 1581414 1378695 1735741 1528852 1857923 1606515 1554722 1496086 1618549 1645320 1336835 1009738 1553207 1622411 1467649 2069640 1652207 1675313 1403642 1379445 1429966 1901795 1860408 1661497 1622499 1808305 1797138 1682974 1690358 1673068 1693456 1843764 1769279 1705239 1805204 1566985 1603748 2255187 1892340 2036595 2004529 1692634 1676520 2213251 1763088 1446449 1774369 Ne-Methyl-Lysine 192985.6 104368.9 26551.13 125377.6 14433.68 53845.51 21164.71 45071.64 25886.01 140977.7 131099.2 109660.6 39354.23 212827.4 172730.7 158188.7 70382.32 41240 58385.01 169293.1 29933.49 211735.4 70460.56 41958.62 166502 167733.2 174864 38816.53 42988.67 46876.93 175134.2 184985.5 156305.3 178421.2 40700.45 32017 147223.1 114357 35149.58 51185.05 48078.8 37992.97 36665.92 46509.1 32629.66 166588.6 147560.4 20623.63 114494.7 136012.2 209629.8 48757.92 36532.36 180391.1 169772.4 157919.8 40653.88 59764.23 269392.4 31266.79 16338.31 50613.24 42023.47 130558.1 44917.52 25473.81 58291.35 160599.6 32183.9 133889.3 169557.6 194938.1 178163.7 181505.5 25027.31 35880.97 277835.7 130538.7 166972.9 120751.3 248306.2 174214.2 129404.1 157886.1 209684.6 202619.8 116773.6 27911.16 35850.61 151764.5 49502.52 38871.03 34028.79 226719.1 15635.85 46634.73 258377.4 33867.14 28534.85 28137.37 18128.79 217494.3 40868.38 33732.98 147373.4 19249.01 217324.8 32068.89 35665.66 55184.91 45851.28 235270.8 50615.84 Ornithine_1 566659 670346.2 635096.6 341793.7 626814.1 473472.5 453805.9 753255.2 454433.8 440604.6 593707.9 495449.1 655012.1 815894.4 520236.3 502519.2 515884.3 463010.6 905496.4 829377.6 625126.4 535721.2 527179.6 569896.6 441824.9 492783.2 618956.4 497446.5 621053.8 646637.8 570473.9 649028.1 553611.1 467770.4 708260 444443.7 547213.3 558528.3 676202.4 354008.2 404439 590469.7 659047.6 488261.5 464401 473342 570538.3 495693.2 441150.6 583229.7 443881.7 448624.7 554056 662675.4 538184.8 472440.2 437103.5 653318.7 757265.3 590832.8 566985.9 561050.4 567503.3 520164.3 469730.8 528719.9 368239 382884.6 646909.3 502585.5 642839.6 580954.9 696258.6 715362.7 852807.7 622802 736321.1 353750.9 306542.5 565062.1 561118.1 943877.4 888907.3 447232 483398.6 547375.4 705939.3 653165.1 476276.3 597874.3 401706.9 697296.8 724240.1 474900.4 771017.6 732718.3 440636.4 418289.9 554303.7 790236.1 606235 819951.9 663056.9 632557.8 511990.4 616349.1 1012404 535809.4 552650.3 669696.7 592215.1 498398.4 811152.6 Arginine 1167258 744003.8 980926.6 1245806 942700.8 1101394 1103476 1436763 1598074 1261102 1091665 1040783 1977032 1700731 1541669 1695823 800822.8 1348473 1149537 966440.2 1139336 1010764 1520589 1768296 1524641 1033361 1576583 1735971 1834755 608258.1 1634919 1235740 1136583 1232137 1131016 1170805 989007.2 1238603 1329130 1521782 1369239 1052726 1894532 1384316 1239457 1514467 758102.9 1206968 1414041 648262.6 1335917 1329909 774369.7 1329719 1225131 1554350 1280504 1340798 1378152 693745.8 864328.2 1624687 828387.2 1883538 1355167 1000184 1568067 1137564 981743.4 909038.5 1738956 880060.8 843139.2 888736.6 849935.1 738639.7 608705.3 1071947 1532520 1523813 1124183 1127984 972250.8 1404363 1486178 1596281 1194277 862453.4 1604045 1073271 1388559 893404.3 705510.9 1322974 1278664 1215214 2016403 1302733 1533866 1244757 1197344 794110.6 1151355 2019675 1634870 1398334 1164287 1709043 1198892 1159548 1169856 1290109 1215744 Ornithine_2 116746.9 76820.7 104804.7 148067.9 93241.28 103715.7 113600.1 177116.9 180375.2 136512.3 108168.2 111978.7 232946.7 184039.4 154550.6 190959.6 83291.96 156491.1 120103.4 105239.2 119049.3 101410.6 162379.6 203539.3 158459.6 107093 179832.8 199674 215306.7 66126.17 187451 145182.6 140991.3 131558.8 103060.6 110642.1 106488.6 133149 138340.5 154065.2 140264.8 112326.2 210396 138405.1 132378.7 167202.4 77059.54 131572.1 156169.1 65316.59 139980.6 143896.4 81314.52 128863.7 130313.1 170448.2 138451.7 145449.1 127232.8 61717.31 90377.34 175817.8 88565.98 202128.3 131560.2 95216.05 160406.8 112753 99660.94 89970.09 194925.5 94990.39 88294.17 91445.52 71100.45 74481.95 59873.83 115024.9 160936.9 149546.2 125195.6 121808.9 104513.2 151745.4 159030.9 173754.2 117315.8 90304.89 190286.5 128436.7 176447.9 106416.2 72608.55 148457.1 136938.2 129630.1 220011.9 138583.4 165770.8 128367.8 126991.5 83275.72 122183.6 219537.6 181996.8 149171 126500.9 183669.2 128546 122789.9 125464.3 137751.1 128286.9 Homoarginine 19407 14908.36 64393.87 35265.49 15256.46 41966.87 28825.19 65957.18 63882.04 71538.94 66165.25 28319.13 54150.92 62330.07 48730.6 56487.19 10585.26 38070.19 88096.4 116506.7 26852.71 22919.99 34331.78 70150.78 37807.71 49716.26 24925.23 49255.22 63579.46 96547.11 42425.14 41917.91 59081.23 42075.01 38714.07 41820.62 34783.42 24675.1 35716.11 72294.24 55712.55 178511.2 51079.6 53882.28 57141.86 62192.24 19256.4 39806.35 27901.75 33274.67 42789 69983.15 33800.61 69083.6 46201.22 25531.12 33606.07 122717.1 57198.33 18082 25901.91 79899.55 31670.33 17978.33 30447.34 74389.65 26170.55 21903.94 47509.93 19508.53 53034.49 25707.02 26511.86 20470.33 41347.89 26394.03 72211.82 16873.35 29725.65 34421.2 73260.31 136542.8 100709.8 36555.88 27116.31 61069.76 21902.41 81271.06 47406.45 49607.73 105865.9 70755.74 76165.95 65969.12 15773.06 48422.84 48029.36 56166.4 47221 41974.98 26567.99 54594.86 68302.78 281969.6 27722.26 28833.29 105915.3 46445.29 22954.08 36829.5 51510.16 8395.875 48610.32 Aspartic acid_2 498269 353856 336269.4 354693.4 390038.9 347435.1 332965.8 323973.3 356247.6 413822.7 441019.5 367754.3 302442.6 432023.2 324154.2 302677.8 339246.4 293267.5 409862.6 315577.2 228842.4 388587.5 288142.5 261463.7 792495.1 355017.2 312557.4 218915.8 421912.6 371962.9 294484.7 218356.2 330114.8 291050.7 251970.2 279013.6 195690.6 406223.3 225631.1 300345.8 212145.6 248009 185641.5 187700.5 244263.7 323610 248918.9 384171.9 402089.3 286419.1 313082 303606.7 254265.2 334291.3 285982 286698.3 327736.1 203575 88824.19 255070.7 350723.7 295525.3 211435.6 349173.2 288219.8 267353.2 207609.6 509811.6 385019.1 281915.6 389633.8 333864.6 323438.1 284968.8 226866.4 308878 328353.8 247819.1 240544 289168 282625.1 377250.2 292589.7 287855.7 261310.8 280304.4 408276.6 292551.6 287728.4 365731.5 461595 234717.2 400331.4 403120 391059.2 324393.1 353506.7 250060.3 434268.8 247162.9 340668.1 281272.3 283111.2 365420.2 316071.8 351125.9 317126.8 299381.8 240245.8 325109 387029.4 318711.5 327101.5 D-Malic acid 597606.5 960818 897057.4 837645.9 884303.9 737464 538830.4 667017.6 506609 515857.1 748386.3 657778.2 500074.5 690291.5 622379.8 467890.2 634250.1 553822.6 662177.4 762592.2 636034.3 706375.8 527474.9 533809.9 642864.8 756442.6 591685.7 488915 882268.4 857002.3 579309.5 849737.2 655839.5 734053.3 641553.1 671482.4 634685 612560.1 607942.3 606301.9 641186.6 539115.3 691906.9 710423.5 557047.6 509718.2 501754.7 519912.9 567881.4 504740.1 673103.9 524633 586506.3 544615.9 486197.2 543643.1 515452.5 517950.5 597716 471379.3 552430.7 703388 836925.4 468663.6 504622.4 643242.1 561167.7 461472.1 671075.5 525260.9 610496.2 516494.9 582158.1 569167.5 562770.8 559056.2 921912.1 819070.8 583283.8 474518.7 451764.4 709342.3 632496.9 546522.4 546238.7 549493.6 740503.8 608608.3 490350.7 471987.5 688046.5 602725.4 522168.6 693817.1 900186.1 691242.9 542124.6 1333097 845314.7 604893.9 496353.2 646238.1 720811.4 578038.7 618447.8 468342 587826.2 455673.8 528052.9 622029.5 678529.7 608051.1 782958.9 Thiosulfic acid 371916.4 337839.5 324883.7 166341.2 979131.8 499931.2 137850.7 622636.9 76170.8 267950.5 287679.2 857173.3 200687.7 580249.3 393265.6 334111.5 226836.9 98546.45 1350234 424344.4 419054 675348.6 271568.4 110937 379687.6 748908.8 245208.9 127722 511289 1372608 537455.7 1582837 529039.6 209761.9 420545.9 156152.7 282642.4 344464.6 198169.3 117417.2 183728.7 254735.6 484761.4 1001335 77456.59 227722.4 373413.9 138959.2 252841 285334.7 180675.9 199305.3 274264.3 85706 189154.3 1785949 93419.29 1786931 422156.5 469416.7 164616.5 377658.9 192087.5 491924.4 509710 621537.5 113882.7 173062.3 2414685 1279439 787203.8 601453 1093785 358762.2 211702.4 786028.2 961770 398154.1 60787.07 210627.2 370228.7 331256.2 483295 348110.2 534692.9 296347 1012044 358632.1 331775.7 377818 425986.1 1282175 875001 238002.9 495034.1 901447.9 294355.7 193180.9 277134.7 129695.3 835574.9 2083557 788787.1 445838.7 300758.3 591343.1 667741 570640.9 148347.7 1019698 1087542 565933.5 457495.3 Glucaric acid 98338.42 137682 63108.73 83854.66 89711.97 86456.25 68393.13 45302.02 39082.33 61033.18 58801.99 60449.08 41880.77 50166.63 51956.97 51613.2 87499.57 51846.86 40014.39 46651.21 51897.34 58062.09 45799.49 48807.3 58618.9 47417.94 53178.5 49748.03 72474.76 71454.27 61762.27 72433.04 61430.03 58000.18 46152.75 58909.25 39907.76 50957.51 94618.1 42546.59 32751.96 31379.25 43063.07 29826.02 35409.66 53849.82 68448.33 37876.07 53292.35 39865.44 50704.58 73576.88 57773.21 48906.13 43387.09 54534.38 52026.43 40138.69 45992.71 51509.22 53042.32 30106.93 42612.33 49213.31 49919.06 56222.06 55785.93 63703.49 57624.35 82077.14 67302.61 35255.03 79329.81 86568.48 49939.3 55956.58 55768.85 67058.42 51241.54 56425.97 53382.13 55832.28 43003.63 68429.86 69636.06 59326.68 90630.16 50096.15 60338.37 53342.21 75212.14 60763.62 39886.64 94699.59 90129.56 76787.05 61387.55 62475.8 65446.07 47102.18 48579.18 80702.59 71337.71 43405.38 55760.24 48075.31 45957.24 57118.74 57740.11 54758.24 62293.44 60316.95 66933.51 gamma-Glutamylthreonine_2 1254014 1200755 1334790 1321717 1466954 1113906 782449.8 802504.2 1084520 838939.5 969635.7 1304262 1181068 758141.9 1093899 1030316 704117 866183.7 748829.2 1299943 1254196 1388221 1155833 719720.6 1824071 827690.5 1066023 1201406 1257597 1026095 1400268 1383201 1458235 1330534 1164435 904938.3 807359.2 740032 703372.1 1013035 1027433 1119597 1348584 1639496 807520.9 935430.9 1124254 816694.8 655443.8 898408.9 1300291 867501.8 1215137 787715.5 1356282 1508746 1620335 1347841 44196.27 694533.5 1332382 1310780 1025882 1119963 936193.1 1599287 1130899 1093757 1735039 1344099 767454 1223608 1289933 893797.8 953920.9 643755.6 1328021 1527273 1082364 857710 1003567 1153721 1176026 1303358 1625337 643020.8 801960.7 1067524 1446253 1275422 937822.9 989320.7 541013.5 1644603 1034869 872133.6 1483374 1382126 1544481 1158159 899709.6 1798171 747618.6 1546002 854014.8 972386.9 774797.2 1110724 981773.3 1054666 1574232 1368239 1331402 Aspartic acid_3 155556.8 108498.9 94721.14 88175.32 96780.11 90277.86 110059.3 103188.4 84177.69 100759.3 115566.2 102371.6 75168.35 111744.7 110777.4 63816.46 78414.89 71667.62 120198.4 88891.62 59559.98 109370.7 84454.32 68509.77 288863 109391.1 96872.55 58396.52 103550.9 124506.8 57044.54 51927.94 99665.42 77128.77 78212.94 83849.37 51489.43 116776.5 53826.1 102969.6 79435.4 75971.96 60830.07 57017.68 69364.66 72142.78 70930.86 121733.7 104339.4 78894.57 87948.78 88235.96 66719.68 91253.24 77021.61 65253.38 97299.53 52802.53 68164.24 58461.79 100703.6 92225.13 72745.23 90114.1 108899 83438.62 68710.63 175660.4 118870.1 77459.61 80198.52 84447.21 97978.45 84928.77 71232.03 72818.59 87547.34 70498.28 69335.4 75408.18 73445.69 80288.64 85043.23 58784.16 69830.69 72039.12 97653.05 73725.58 76404.72 104057.7 117883.1 47511.57 89262.04 104330.6 112794.8 97669.96 102395.9 66669.76 116247.7 69772.24 96342.7 91599.3 80496.55 110297.3 103006.3 81689.49 80197.38 83759.22 64749.75 89260.76 110835.3 86660.23 101745.2 N(6)-Methyllysine 44871.44 38303.23 43321.05 43383.4 45588.31 38385.61 38911.07 36454.19 41751.11 38942.42 39094.86 40036.87 40034.7 37759.47 40320.75 42142.01 40960.02 36085.82 34241.29 38032.19 42133.3 43917.45 43751.76 35950.03 37480.75 36585.04 40520.02 39983.15 45042.32 42452.07 48213.38 42668.57 40122.08 35203.72 35546.66 38022.76 40635.73 41961.77 37538 38624.29 39363.07 37160.92 38846.56 36748.57 41217.63 39789.95 35854.56 42141.13 38811.45 40292.06 37175.48 35665.29 34563.33 39406.52 37471.85 38560.67 37296.49 36635.58 30761.94 37419.66 40177.26 34929.38 33371.61 40514.01 33973.81 31849.16 34633.88 36943.08 35450.37 37796.47 39627.69 39683.2 37093.86 37540.67 37882.16 31797.66 36836.8 40970.99 44140.5 37274.51 35627.3 42042.54 36714.64 41393.41 46109.27 37214.03 35581.4 41871.74 40391.06 38060.01 34235.98 49229.4 37884.46 39689.65 45115.12 40403.95 39003.39 41671.77 39548.28 34557.24 38121.26 40586.15 34688.43 40672.98 36438.3 39520.7 37507.29 35742.42 39100.62 34424.78 35313.37 38333.15 42325.44 Malic acid 24884.26 33452.76 25707.3 13369.44 12759.67 11962.65 9471.735 11004.2 7932.866 9650.001 13242.34 11199.68 7519.542 10584.44 8351.786 7611.355 10004.02 8595.414 12551.2 15515.78 10053 10670.73 9489.759 8098.922 8308.534 11593.38 10263.6 8708.487 9830.698 14640.2 6795.39 14767.33 11803.63 11551.93 10653.51 8978.491 9278.779 10714.91 8150.975 8471.167 9340.233 10909.1 9389.01 11375 8255.636 5999.519 8068.152 8146.33 7816.021 8858.415 8909.634 8712.99 8214.822 8620.779 7849.311 7874.594 7976.049 9579.072 4132.257 3093.119 9999.432 12058.34 14640.44 6363.501 21102.59 15975.13 11360.18 9435.151 13258.26 9993.049 10487.7 9108.632 10408.27 9890.937 10808.99 8942.333 13605.98 8967.848 7627.778 7264.179 8117.604 10813.77 11503.72 8668.872 9669.278 9282.027 13199.55 11769.25 7731.608 8071.34 8140.236 4646.898 3183.36 9418.114 11964.56 10228.78 5889.775 14719.49 9442.201 8952.276 7276.439 11933.24 7573.821 9825.46 8918.229 7745.078 9783.903 6940.301 7565.759 11495.88 11295.65 9033.604 14418.14 Phenyl glucuronide 31403 30346.08 33659.83 58435.97 76024.73 44258.33 26668.02 27796.94 53693.62 35528.81 34860.3 56928.09 44063.24 29732.78 43464.76 48493.82 24747.17 32123.99 22747.02 56981.58 76199.88 76484.1 58728.99 25788.03 51512.69 34959.22 53294.78 71338.14 58626.01 40224.36 93942.65 88148.63 48581.47 43612.53 29158.33 25897.21 35590.1 20402.88 35199.56 25273.37 40203.58 33959.66 41365.14 63896.15 24463.63 44124.86 42771.19 28495.03 21541.19 29102.23 53857.92 25216.43 45231.79 28061.85 38801.25 69879.8 64455.38 65431.98 15941.05 76131.28 47721.99 30938.32 28895.5 43439.61 14726.59 45873.39 31561.05 33612.04 69419.09 56220.8 21037.76 59932.02 59944.47 34800.74 31398.52 20505.55 62357.25 71735.7 42364.11 38760.94 33740.07 53967.44 36528.28 72189.49 84887.73 15808.89 32007.88 40540.81 58692.25 38581.5 28607.37 148387.7 42866.15 77516.84 29669.06 24652.59 52387.5 60317.6 57828.17 34865.17 29112.96 93764.98 23426.22 50679.38 28066.11 28790.74 22640.68 28676.23 30815.11 27538.99 59295.35 59709.03 48989.43 Threonic acid_2 1178169 862242.2 369061.8 1050859 1005643 875760 830066.5 610635.6 340203.4 701239.3 742137.2 895999.9 681963.8 597269.6 743252.8 608842.1 1314000 610706 456197.4 667038.2 1031768 1067685 754274.5 625529.7 926304.1 920258.6 691405.6 517340.5 510778.9 826417.6 976385.3 679286.2 662890.4 707091.2 633684.2 658032.9 311236.8 942560.9 2354320 277330.6 424118.2 462478.1 471689.7 247173.3 298656.9 472475.8 948416.3 589072.9 778850.2 671700.2 392612.2 662144.2 482309.9 566417 322456.2 739048.2 438417.5 437873.2 569200.6 480272.1 598736.1 279360.4 512465.4 815240.4 660883.6 338808.1 566552.7 1102028 599161.1 943511.9 698573.6 724775.6 799446.2 920142.2 433525.4 664842.2 681986.8 738535.4 663577.5 669666.2 750120 690905.8 524256.6 865155.7 1007286 753886.5 685103.9 398432 663493.2 535045.6 633538.4 672079.3 691065.8 488522.5 694075.7 486282.2 510367.8 527945.2 424702.3 306866.1 435865.5 510909.6 658486.4 412114.5 653781.8 586081.6 546356.1 861869.7 520142.6 586891.6 666560.5 605644.8 695619.1 2-Furoic acid 10032.84 11189.05 6480.998 9235.941 11986.47 9504.711 8226.656 8473.604 7892.716 7484.256 11015.16 9095.182 8222.957 9954.034 8143.31 10782.89 12398.93 8112.251 8139.858 8054.385 9464.056 10743.44 8551.723 7087.278 8588.336 9648.352 6152.036 6445.26 13183.45 12547.38 14076.48 11506.13 7894.309 10100.08 10092.96 12204.38 14318.51 9524.7 16730 9295.413 10310.31 9290.787 11354.47 8567.897 8117.068 10540.71 12888.89 9040.749 9252.316 10420.06 7956.391 8787.928 9663.484 10277.48 11638.31 8362.605 10533.74 9948.358 6677.066 9606.971 10467.06 9456.112 12178.65 8624.933 8725.001 9911.181 8264.667 8684.672 11033.57 10426.93 11058.92 11131.26 12235.91 11465.19 10804.68 9111.747 11829.19 9756.44 7773.323 9211.385 8986.25 14928.65 8889.776 8937.05 10109.83 10297.28 12072.63 9494.473 8524.69 9719.113 10073.26 11298.35 9024.499 7379.744 17461.67 12686.49 9745.497 11149.94 13907.39 11787.78 9095.968 10363.6 15716.74 8919.786 9060.871 10096.18 11376.26 10662.8 10036.39 13504.44 14087.79 15929.52 17059.85 Ornithine_3 969289.1 1080890 792164.2 900637 1187551 969838.6 921820.1 855383.2 993600 807074.8 838248.5 828644 950410.1 1326257 840041.2 1130384 1003019 1062548 928991.9 1056017 926372.6 1132346 1019940 845758.7 598483.6 731959.3 877911.3 1023315 1160915 982773.7 1224332 1311295 830871 737861.9 783899.6 782658.9 1137440 808527.8 1328091 1035854 1039553 1039776 887446.2 1149361 898450.1 1066792 1038232 805364.1 808440.5 746382.7 1092956 866372.3 885974.2 931108.7 972041.7 842007.6 1078076 1110786 1266021 838538.8 973151.7 1251858 783402.4 951648.5 883178 781089 967786.6 842507.8 887270.7 939333.1 1217934 810804.7 954814.4 1055079 924013.8 863371.2 877130.2 715057.5 821190.1 863952.6 784720.8 1102232 1015507 818378.5 1072396 860226.5 1161747 941572.2 853386.6 819352.5 884167.2 847925.4 742461.4 840446 1136943 1019113 797411.6 721734.9 972180.5 990540.6 946318.1 934857.3 930486.8 1100396 838408.1 982727.4 1097694 887948.7 996793.7 825940.6 860215.2 821880.2 1039229 sn-Glycero-3-phosphocholine 486860.8 552370.7 429011.9 469905.3 605762.5 553651.9 485186 481058.5 514646.8 421421.2 427181.4 431073.4 504320.7 712305.9 426162.8 572764.1 503192.7 571370.1 522229.8 578858.7 473856 614854.6 545333 476171.1 318819.9 371585.5 454088.4 544955.3 611415.9 514926.4 642693.5 718537.5 432414.2 381106.4 440943.8 410638.8 545809.2 424804.7 794962.4 533916.1 532224.4 522791.9 455854.2 594878.6 466418.3 538118.1 544016.4 377832.7 403477.6 393461.3 595486.9 451001.3 457522.3 455574.9 479676.9 412658.6 547959.8 569566.6 605079.7 427438.7 470572.2 635477 395847.8 507905.8 482096 430310.5 502781.5 428172.7 473932.1 491004.8 652531.5 401031.7 507936.8 583401.7 498555 474799.2 474651.9 345193.9 398774.2 458492.6 425196 596502.1 535904.3 424103.8 551200.7 474547.2 615595.2 501720.7 449833 427374.7 473468.9 440608.2 416988.5 483303.1 639722.3 556249.2 454063.6 395416.2 538095.2 542673.3 512378.1 496542.9 521271 614517.3 459610.1 519018.8 599174.2 463179.3 518041 430978.9 482688.1 418737.4 576533.6 Glycine_1 18542.11 15638.42 16076.24 17441.65 20892.22 10628.47 16540.71 16832.06 14968.93 13786.37 15220.22 20291.54 16492.29 20415.99 20568.43 16617.17 18922.39 15319.84 16117.06 15254.92 18443.12 17796.74 16023.92 15700.21 16618.82 18461.8 20852.27 14444.26 25357.19 14156.62 23414.86 17258.44 17140.53 17644.91 15040.88 12040.82 14580.25 16699.62 16575.28 16229.43 17408.83 13768.92 16521.47 15543.22 13446.07 15315.5 16102.92 18200.15 16193.32 14216.62 16085.73 10634.75 13202.12 14336.85 13409.82 20362.53 15670.89 13986.84 19363.11 12671.45 21792.66 17248 13904.69 18173.69 14975.19 13837.45 12927.79 15239.33 15614.16 15042.32 15205.86 15009.82 16317.43 17016.53 16263.42 12881.22 15227.52 16850.76 18727.66 15682.76 13720.32 15487.72 13726.48 15920.49 16996.34 15703.14 15805.21 13829.07 16206.99 14576.38 11242.85 16421.82 15257.88 13911.81 22798.04 19096.54 15802.79 14104.24 18809.09 14950.74 23249.97 15847.78 18770.63 18683.57 20891.06 22792.33 16010.95 15517.2 15021.05 15860.86 11936.06 15318.62 19240.12 Malonic acid_2 78412.4 68977.91 80435.65 74619.79 75817.92 70887.52 78560.15 67648.88 69846 69918.14 67661.38 71728.87 65773.52 72661.49 74291.55 67680.81 70166.75 68474.07 67440.08 71100.69 70658.01 83058.46 79105.33 71828.89 72977.39 69758.23 72319.91 70591.3 79621.83 70549.57 79291.9 73408.58 68166.78 67713.64 64746.14 64789.91 63000.93 72099.66 63536.36 65313.79 63693.85 63369.31 61422.93 64136.12 64972.01 64592.81 64409.42 68406.46 64213.58 66042.1 65591.1 61703.05 59444.68 64590.85 63858.5 65661.76 60823.89 60774.31 75198.39 53293.17 68752.72 66586.24 59147.91 70237.1 71838.4 64254.93 67357.09 70273.71 62897.66 64993.42 71996.91 65414.76 61864.93 63170.42 66126.45 60060.23 65067.89 69266.06 75089.86 63611.28 63969.19 67984.82 65262.5 67060.36 77265.18 65728.45 69625.15 71910.4 71729.28 67604.47 63553.61 71498.49 67650.29 65249.71 73420.89 72422.34 65702.7 67494.63 68946.42 65423.77 69343.38 75911 62837.51 74576.21 74548.4 73874.92 70966.91 68340.86 71657.5 60894.41 64373.72 69323.32 73378.92 2-Oxoadipic acid 97658953 86725654 96758633 91956636 95284721 84934375 96210920 85788024 88359005 85785420 85849196 93684589 85841489 90885403 93949154 85784150 86826334 85860711 87111575 92508869 88953400 100908264 94452116 85925092 92990439 87395363 93069690 90625423 93693845 85457065 95345130 90135475 87647302 81005063 78121978 80980782 76257181 88504100 78181367 80839261 78724678 77750300 74838163 75792354 80618907 78422786 78708503 85224463 78874695 80004493 81587721 75002078 72679310 80916128 77258535 85039658 78237472 81134233 100758033 69842796 87170629 83239210 75861358 85888154 88219051 79432974 82931158 87547406 78952851 80092416 89905528 82151438 76060088 80484144 82405781 72948534 81307260 86522540 91602334 78269459 77154418 86442496 80347589 83762938 93489505 79955082 85173409 88697598 87500652 82124177 77127037 88745148 83859790 82865898 91491565 88350285 82232065 85296711 85033621 80547819 85601268 89227996 76209995 92457395 89173862 89380629 87083461 82823953 85760389 76869722 78249324 84731701 89651832 Citramalic acid_2 12115.54 11022.35 2553.434 15229.12 11359.91 9807.418 8408.454 5648.722 2866.009 7477.841 7373.837 9127.249 5562.447 4611.237 11593.76 5004.317 16629.88 6591.005 2909.606 4917.178 9332.919 11778.96 5689.152 4333.731 7129.428 6146.191 4516.844 4433.573 4084.728 5756.709 10136.93 5624.039 4795.357 6232.055 3343.434 6138.865 3655.282 8456.862 41867.67 1417.235 2619.97 3087.325 4158.047 2195.087 2174.099 4506.762 7670.116 6723.708 9454.139 5093.375 3029.969 7804.039 4352.02 5043.517 1821.596 10446.42 4059.307 4871.878 10138.21 4680.849 4526.564 1273.763 3804.161 4890.155 5244.28 1414.607 5258.019 15463.53 4081.681 8357.279 4261.052 4844.58 8453.267 9378.86 1947.424 5083.761 4921.347 7140.984 7815.238 8204.984 4895.665 5088.746 2050.476 8026.52 13017.91 7883.095 4752.107 1711.332 5707.938 4602.108 5627.17 4155.017 1169.813 2235.738 5961.235 3024.765 5151.954 3765.382 2495.65 2037.596 2973.717 4013.002 6981.494 615.8907 3143.826 1561.129 1909.799 3443.406 2830.665 2637.537 3221.886 3771.861 4470.764 Quinic acid_2 15968.08 14871.03 91.39565 42012.75 602.4327 19610.23 8885.146 4913.311 161.1145 2502.758 9897.13 35551.08 2690.408 22443.69 9243.906 28368.87 13899.13 16560.22 1664.818 8112.482 9991.904 16288.9 1142.972 3196.416 16639.3 1302.595 20834.17 31948.2 30957.62 35459.4 27694.92 67775.25 11989.85 1533.876 4476.825 26197.48 14550.86 174.4979 6392.164 305.8786 48.05299 8837.003 2468.731 189.2902 1002.651 14387.97 26059 12309.38 115.2969 2923.47 734.7807 21717.5 16968.37 12288.44 35040.92 10375.14 11693.32 632.5889 26555.93 18350.48 23245.19 106.1897 4456.751 114.2636 677.5663 471.8673 326.054 46554.44 10423.94 21706.82 19888.18 24373.73 27904.36 31498.38 2806.389 16690.15 639.7325 56790.72 8890.442 958.8798 16244.05 38807.78 7912.908 616.9211 29999.41 4454.616 21202.25 164.6592 2451.686 6982.597 16215.41 25813.38 6974.103 11603.87 1817.395 32887.16 34470.65 12876.32 16189.88 3149.416 13572.64 14543.82 33876.93 12084.07 11249.29 38179.5 28772.9 40270.96 14725.35 5325.118 28279.96 30507.54 11738.95 2-amino-3-methanesulfinylpropanoic acid 748550.7 35436.02 72071.06 242733 293755.9 159477.6 105925.1 99803.8 93767.88 56934.67 408380.5 113085.2 196860.6 139026.5 132769.7 42210.1 37464.96 98392.78 64209.19 67175.15 51797.6 229298.6 117492.3 55174.66 191658.1 244021.5 60277.66 45167.55 72466.21 122261.7 83505 246364.7 216751.2 268230.1 128446.7 45968.21 47041.89 46900.4 79959.85 74366.83 52599.42 30414.56 87044.23 121323 74178.29 45296.24 72179.02 118091.4 51899.93 192702.3 159606.6 61739.92 86850.79 196993.8 39681.91 134771 151211 44632.15 590380.8 93542.81 50134.5 95803.2 57050.7 131890.6 132926.3 131571.2 44297.11 101783 215553.8 70214.52 31139.73 228034.3 77592.93 52224.06 50699.79 120674.7 66005.53 42299.14 84658.44 197205.2 316473.7 99909.33 95633.59 70232.14 516943.9 253095.2 117843.9 30042.87 58541.17 135929.2 89930.8 173820.9 282108.7 307319.4 634245 143751.8 665542.2 180936.2 105801.1 73140.15 78087.16 258571.9 127024.8 56879.61 74810.47 47707.28 39526.66 28245.4 26611.84 155330 82078.6 264335.9 476590 Glycine_2 33089.41 30399.91 37936.29 31904.28 38577.85 25523.09 34566.96 39446.24 36875.18 36810.32 35558.91 40951.55 43431.38 38666.07 38878.6 34242.42 37432.23 30018.23 37006.15 34324.92 30927.02 34047.78 34756.2 45368.16 34981.19 41258.73 46598.76 37624.53 41284.05 26415.04 46500.8 33770.79 35980.87 32786.95 34369.3 31221.57 33783.19 37322.88 53672.81 40879.96 38543.31 31485.05 44053.35 38744.37 35830.1 38583.26 28842.78 31278.45 27005.55 29693.79 31438.37 25297.23 26137.44 35387.42 35287.93 40447.61 31267.5 31427.29 36830.03 21140.37 34570.15 45091.96 31298.65 43123.26 28472.57 32566.89 27021.01 29529.71 31534.53 28997.49 34855.87 27571.23 29533.11 30598.17 38581.87 23591.45 27422.08 24287.02 34680.13 29017.98 29514.68 40113.37 31159.51 34064.5 28624.26 45134.58 35219.19 40262.38 40431.33 31167.05 25150.79 29406.21 26367.92 32794.47 32317.93 36178.04 40039.6 31439.34 38042.08 37798.32 38769.13 37185.2 34513.18 41867.07 43445.96 38258.33 38928.72 37047.96 24227.83 33393.07 27991.22 36810.27 37070.92 Threonic acid_3 5477666 4062524 2448633 6235745 5308865 5844389 5175488 3640809 2242468 4169779 3748880 4530991 3450263 3887243 4363022 2621687 10008584 3779057 2821191 3544793 5306368 6954329 4041323 4595924 5865689 4877915 4401455 3255210 4020876 3892536 5338477 4635656 4282871 4486031 3164514 2921660 1645618 5824183 13024075 1733237 2018837 2247290 2849833 1841515 2380356 3263712 4818948 3245504 5714092 3611027 3068314 5059242 3273850 3734176 2045199 6079760 3560978 2805496 7433828 3436787 3729687 2057705 3363082 4927943 3375280 2227057 3525402 5757053 3092334 5807865 3956266 3939697 5441083 6010987 2553603 3835127 4352259 4273856 4540858 4724401 4384915 4061166 2658804 6269429 7638273 6784917 4939500 2482693 4460915 3939250 5702960 4313384 3756559 4709190 5865007 4239590 4554440 4127480 3573128 3107466 3670852 4645068 5127902 3171371 5598811 3996312 3748791 4261497 4248976 4051739 4435250 5021619 5835041 Taurine_2 5308753 4597514 4638898 3964037 3716571 4753306 4664175 4209863 4302596 4051282 3861627 4436636 4710587 3287515 4503637 4697259 3537932 4309551 3532487 3834401 4546691 4206904 4752021 4133363 3627897 4709352 4156476 3556137 4798643 5327714 4425257 2777419 3427831 4203040 3943996 3596198 4867397 3977921 3096428 3748485 3446513 3920192 3986651 3149383 4032432 3829740 3537261 4226286 3549251 4067242 3575481 4249497 3565219 3642525 3703481 3554486 3959901 3359518 8635722 3232987 4560437 3946959 3273305 4076847 3352265 3982018 3742236 4137930 4079381 3855772 4677729 4634301 3749394 4077901 5545712 3325593 3150470 3409328 3841144 4428695 3618126 4808448 3477269 4080418 3954419 3471974 4139618 4185447 3783006 4205337 4090212 4207947 3709228 3505159 3864152 4306146 2954808 3537710 3786415 3589921 4319033 3825297 4218535 3846082 3649354 4226111 4308941 3785072 3624760 3297007 4413019 3383365 4526116 Methionine sulfone 46252.42 38560.01 34729.15 26615.4 47122.67 45986.57 35739.63 52723.95 37157.19 27776.16 26568.7 42984.36 42492.23 68094.49 34327.64 50080.79 207339.6 43912.73 23686.03 38354.11 40494.83 52483.93 17770.1 44406.66 31117.26 37720.33 38258.13 31515.57 95944.57 36096.51 34451.31 59410.62 28192.47 44796.42 53168.93 32600.54 34420.19 22793.55 34298.49 51870.3 38668.03 33953.33 51487.5 145508.3 31920.04 37578.28 31258.52 18547.65 86521.16 19973.31 21636.47 33960.13 27520.94 234272.1 42400.07 30760.01 99752.66 27037.32 50996.63 25046.3 36973.87 137396.3 20531.76 17190.15 13976.21 24985.45 13142.29 37882.27 24827.16 30350.53 48631.71 19922.97 28409.73 33150.19 27518.29 25499.15 31278.39 74434.86 36785.14 21940.52 32501.87 21861.3 23509.43 24783.22 47748.34 28795.44 34478.82 35252.98 32813.93 19483.38 33727.12 44522.28 33315.58 30474.41 40972.81 87711.22 29992.74 34741.95 68263.42 24178.38 29842 31084.48 40565.4 24671.02 30233.54 33315.98 34160.32 26222.84 39164.39 19741.74 33073.48 32476.75 37644.46 Tyrosine_2 2555.855 2008.659 2815.53 1768.6 2507.343 2442.843 2152.324 2640.916 2265.528 3277.024 2368.027 2103.109 2592.626 2553.518 1928.143 2322.483 3221.879 2558.999 3449.031 2099.828 2349.027 2925.826 2608.351 1813.421 1734.436 2109.894 2134.153 3528.052 2030.281 2334.08 3827.347 2394.263 1722.483 2028.862 1835.98 2311.617 1879.944 2231.609 1602.922 2325.804 1732.172 2206.277 1923.929 1932.553 2122.731 1755.974 1745.01 1090.826 1516.136 1768.775 1669.128 1662.828 2160.415 2382.666 2428.704 1604.693 2043.945 1864.602 2010.209 2537.404 2202.801 2287.515 2224.79 2427.051 2441.747 2228.652 2723.145 1499.663 2230.81 3301.008 1882.496 2632.127 2750.366 3362.057 4153.067 3376.297 2480.85 2582.573 2587.468 2070.93 1849.257 2839.8 1212.214 2510.413 1913.836 2180.679 1625.182 1436.095 3093.79 2206.776 1391.98 2561.992 1572.563 1643.558 1438.362 1349.072 1320.321 2102.549 1772.148 2224.207 1976.776 2052.904 2783.361 2480.163 1744.867 1790.775 3787.4 2145.231 2975.246 2047.302 1605.764 2068.648 2173.378 Glyceric acid 373641 311542 210632.5 293520.6 306911.6 334630.2 298012.5 300065.3 179479.5 287563.9 295626.8 305007.3 255699.7 297392.7 326026.1 239346.4 383197.7 279308.8 298719.2 336273.3 407305.8 394192.4 295217.5 240769.5 361127.5 346704.1 350475.2 215976.8 296355.9 332523.9 396829.4 347875.2 299722.4 250258.2 215671.8 245589 150172.2 345007.1 640192.3 215985.2 256080.1 225520.6 215608.8 231148.1 184226.1 208671.3 307252.8 235170.9 301847.2 280044.8 263878.6 269227.2 260895.9 248613.2 168964.1 321541.1 257482.9 249088.3 304149.1 275627.3 273687.4 269855.1 255767 374096.9 263691.2 185156.3 227086.9 313207.8 334718.3 309420.8 306155.8 298382.9 304199.6 396473.4 248059.2 327638.2 350508.4 266368.6 284093.8 330058.7 444504.1 321944.8 254860.3 396352 364559.5 402563.3 411570.1 228576.6 285703.5 294544.6 343018.8 331935.3 273690.5 263927.6 307742.8 325447.1 363966.4 253804.9 278253.6 200170.7 247387.9 321650.6 346884.1 270556.8 398682.2 310017.2 293615.2 364870.1 276601.7 323506.5 406182.4 282907.8 386357.9 2-Aminobutyric acid 47147.83 62417.76 50871.27 36233.14 50084.67 53164.53 63034.77 59110.92 50174.16 26920.69 63868.13 92718.7 50597.13 33137.09 63372.04 39175.88 61188.9 67468.86 43219.92 71765.12 57538.49 75236.59 39699.88 52355.7 52131.88 61743.75 52309.08 46542.5 103103.5 30963.77 64339.46 25918.67 74076.36 62384.99 51943.04 43465.54 47536.51 68157.44 67598.96 80360.99 70191.08 59458.28 36276.95 82668.35 54385.68 39695.04 70841.72 43609.69 60769.26 38312.88 57240.07 31600.22 46134.49 47741.81 37343.05 53430.93 98744.52 37814.86 70667.86 30378.02 61139.07 68688.12 78237.6 66337.17 34586.7 61773.4 42885.79 33820.17 59122.08 58087.37 50706.41 63776.05 70822.63 62344.44 50633.78 46633.22 49750.58 45184.02 75706.58 50136.44 60949.88 69096.2 64478.85 80216.85 41812.85 51691.39 58515.8 56086.11 54226 57062.55 61702.66 59737.85 71926.28 44541.42 39859.17 76581.97 52033.76 66469.74 109722.6 44410.62 39022.57 39106.97 85310.68 85817.81 63747.08 43243.65 59595.17 37381.1 46553.08 87874.48 51321.92 85644.45 111521.8 Uric acid_3 19977126 16871564 22288105 20686970 20418201 21267787 20321830 20869693 24520748 21867131 21577349 21245706 22758438 19107101 19521172 21793205 19144653 19767674 21102217 21530801 18623709 22239282 23540790 21764294 17965055 18039979 18555784 21004875 23879537 23218680 22608978 19299600 18198874 16753453 18759732 18321897 19423958 18377112 14558710 17794121 17333419 19081047 18339176 15854206 21113235 17276769 16102591 17557032 16408969 18452862 20236955 19024580 16642659 16762272 19209344 15700026 20220247 18945460 26094323 15927053 19418819 16316348 16936324 19046815 20496204 21097837 19018734 16944067 20110997 17492213 20854401 19487361 17853609 18055774 20224185 17963460 18255471 17345356 18256458 15672742 18913802 17937393 18914194 19222265 17726840 19064196 15455597 22587244 20088516 19166317 19627900 23543002 19231209 17607936 18411178 20170369 18661811 20480825 21118968 18856711 18561943 19094724 15403934 20256357 16635908 19486557 17897184 17898242 17685122 17479179 18068891 19003794 18838096 N-3,4-Tridhydroxybenzamide 1209768 1028387 1357992 1260035 1238700 1289412 1238980 1268444 1490800 1321625 1307675 1291047 1384560 1147568 1173816 1324500 1154379 1193835 1270516 1303455 1121905 1353830 1434671 1331366 1097948 1096802 1130320 1269896 1451231 1419316 1381463 1167776 1106421 1019356 1135156 1115584 1177530 1125475 887621.3 1088508 1053706 1158597 1108055 959772.5 1279794 1045646 978062.3 1066664 995691 1114303 1226307 1157887 1009700 1023527 1171349 959858 1231527 1154809 1585829 967330.8 1181411 994189 1030751 1152067 1247610 1288090 1166162 1030759 1230352 1072918 1273581 1191271 1092739 1096749 1234280 1099460 1105752 1051329 1118148 956082.3 1151077 1084921 1151486 1178915 1081114 1162291 947713.6 1385509 1238269 1172820 1207875 1447046 1172836 1079478 1115342 1226997 1135888 1249531 1287429 1146300 1128592 1164151 943366.7 1233233 1014143 1188311 1092415 1090248 1077119 1064219 1098519 1152991 1140529 Orotidine 14794.64 16181.28 27555.66 14398.7 21014.94 21320.72 16608.98 17932.04 23103.93 15136.15 16884.63 13188.02 14080.39 19897.42 13342.8 15211.47 14797.02 22447.92 20736.21 16829.77 12007.51 14685.59 22162.58 18109.74 11660.75 10276.14 13871.13 21547.74 23436.66 27178.57 21126.47 25248.52 12633.64 10806.93 11073.71 15681.88 15204.86 13787.52 16514.98 13660.25 14431.35 14628.73 12227 13264.1 17541.99 14512.65 15246.44 9850.046 10960.43 9028.583 18750.63 20515.69 17559.59 8454.356 21589 10602.38 16881.86 16918.21 20822.64 19209.18 13756.12 13899.23 13374.85 12672.97 18331.94 22067.47 23604.98 9364.74 20753.73 13068.55 17968.13 12858.37 17618.55 17141.46 15661.65 20692.43 17972.02 10309.68 11452.52 13088.16 15464.66 11440.58 15056.06 15484.28 11415.66 19320.72 16198.3 22694.18 17139.36 10829.1 25006.43 206533.7 156455.9 17395.36 17818.58 20764.95 16862.06 180467.8 19081.54 15862.72 20191.39 15777.01 19361.02 12543.99 9815.492 15398.73 8859.148 12184.8 15758.42 12584.93 14439.54 14355.75 14084.71 Quinic acid_3 14938.16 10926.57 88.5131 99651.52 141.6076 20899.07 9434.012 7642.245 212.3671 2148.3 11210.31 29996.33 3673.125 13091.72 3925.021 13348.9 15224.04 21595.51 606.6831 16233.27 3358.272 17685.93 269.0864 3122.731 13458.33 177.9497 24376.7 16546.6 12205.41 25402.35 24236.32 70873.5 7016.126 1277.346 6978.863 19809.51 8853.478 52.77084 4395.272 46.53286 98.45727 7509.842 2839.367 49.0971 981.1698 9569.726 20243.95 6305.872 51.45214 1533.535 123.3726 16507.92 17825.82 10508.79 28946.42 7638.609 6087.992 72.826 9826.512 18815.61 16008.16 130.0809 4297.886 220.2114 178.7178 48.27881 104.4496 27416.3 4551.342 18057.13 15510.59 15122.14 21657.95 30036.75 3308.223 19211.69 78.78305 92538.21 6253.959 41.96205 19861.73 76078.62 18519.88 193.3411 29347.47 8153.86 17087.99 249.9689 2649.873 4877.416 20805.93 17472.6 5716.203 17226.46 100.5665 48563.09 44598.07 11258.74 10760.74 4224.202 11362.12 13412.76 34047.12 11564.4 18173.4 96479.58 54504.33 21343.94 18135.7 5656.048 22715.61 29184.94 11150.39 1,2,4-Trihydroxybenzene 56950.26 49242.3 85325.13 69494.31 61092.41 61865.56 69075.63 64576.61 72045.23 64654.98 63364.13 69912.33 77617.97 56515.85 57818.23 63075.67 72776.93 74578.85 81027.47 63737.77 65511.79 70085.97 71171.26 73889.7 62719.49 56123.57 64349.53 77390.93 73421.36 59741.98 76410.73 51534.32 59586.25 55510.74 63863.62 63353.26 50676.16 64481.09 59709.37 78679.82 75065.91 51560.62 62038.83 72670.52 67643.88 58197.56 60462.58 54969.05 56916.2 61737.73 64906.42 59506.17 57557.95 65819.77 61811.94 58944.56 67409.74 73372.45 55750.05 56459.26 53546.53 79901.11 49077.15 72308.19 66350.21 71441.54 61867.12 60224.64 56576.53 58222.81 59347.26 54602.59 55574.38 64013.58 63017.99 59815.37 57496.98 64387.28 66208.71 55755.5 57589.59 66683.44 63541.13 66715.69 65952.93 60379.67 50876.97 77586.63 68162.29 64929.55 61861.17 70517.7 73655.96 63220.8 61850.1 69791.09 65050.39 69549.77 70724.71 61533.1 60839.86 58244.34 54649.34 72237.48 63719.14 67736.91 83185.65 62017.9 78299.14 57036.59 64963.37 59001.6 59210.14 Glycolic acid_1 15873.48 9574.524 10846.6 12950.84 13725.87 13546.44 14916.41 14172.2 11894.18 14885.02 13127.08 13459.93 11074.44 16208.64 11195.68 11532.49 16171.79 13823.28 14619.61 14892.41 12635.97 12280.97 9735.143 12824.52 19259.69 19988.11 15228.8 11504 14080.01 12820.01 17099.31 10452.87 14832.6 11997.4 9003.015 13709.58 8966.491 16929.18 13106.3 12788.3 8439.925 11087.4 12639.18 10217.36 11783.11 12495.08 12627.48 10724.86 13364.2 11857.23 10881.58 10244.87 8996.407 11901.3 9054.908 10566.91 11054.25 8191.142 7939.437 10903.16 11137.8 11801.48 12725.56 12389.13 12083.19 11952.94 9724.381 11999.07 11807.37 11610.31 14983.17 12778.58 12211.96 12217.42 12866.87 10026.29 14144.43 14666.36 8640.154 13250.4 9021.715 12310.81 9791.129 11437.63 11904.25 11844.62 13648.47 13310.21 13115.87 9130.91 12257.59 10843.84 13150.36 13693.77 14156.99 15429.58 14819.23 10686.7 11598.79 17995.06 14864.95 10234.44 12258.08 16071.65 13484.67 13963.39 14784.34 11872.15 9502.225 12081.77 12238.15 12519.3 10488.8 Betaine 849207.9 653984.4 1161203 970633.3 931593.2 1085503 1123437 1058888 1121105 1042355 869453.2 1183695 1332348 725961.9 961825.3 749908.6 1018257 1064743 1014595 1190426 731572.9 984949.8 1163409 1160006 944286.4 1091639 1067236 1113692 1262164 806013.2 1301056 725525.6 1060011 877326.1 1077743 994861 657734 829753.7 1041961 972811.8 989971.2 1057140 1059396 1056962 1058283 711412 1055652 701180.8 655605.7 814991.1 1027184 794359 789379.3 692579.7 696235.4 843434.8 1134612 1111221 1006753 770728 850452.5 1004213 962953.3 1030516 1085514 1159339 1169511 776003.9 1045982 1004664 939075.3 881683.7 941631.8 992593.8 888058.7 937656.3 840219.4 763057.6 966749.3 800107.1 837301.7 842578.9 1071964 908856.9 703921.7 1031026 738152.8 1434961 1164955 928793.3 965451.1 1177308 1474060 1054332 890899.9 1285595 995730.2 1347194 1251430 943061.3 914519.7 953317.3 1067949 1205443 1001145 943654.4 848800.4 1048978 965071.6 1244131 885222.3 1185025 981326.5 Dimethylglycine 18754.99 17442.43 23081.52 16758.9 26702.04 27013.77 26080.38 35452.72 19853.36 17173.77 18754.97 20046.24 33126.21 41835.15 23522.13 12507.75 19678.07 20777.38 39346.49 23089.15 24983.25 17219.12 17246.91 31118.81 25450.72 17447.91 24497.08 19065.61 23101.9 22738.54 23668.64 29122.47 19805.16 12991.78 20348.83 13057.6 10129.88 21024.64 15433.21 15237 15933.5 16038.91 19951.43 14876.37 11936.7 11646.53 9727.112 21003.19 14661.14 21358.89 26165.69 16660.95 11745.4 13534.16 10420.02 15722.59 16635.48 17030.62 29103.68 12943.65 9174.394 16363.26 12117.44 25175.52 15953.59 19682.86 15348.12 10056.33 22807.94 17037.86 16403.62 27987.22 13311.9 16990.87 17942.09 16556.12 22066.9 16177.61 23640.89 23554.05 24800.36 18641.34 19786.96 21793.34 16205.76 22635.48 17147.47 14745.78 16523.04 25267.08 20408.66 28210.72 37774.74 34203.03 32996.43 20286.22 25261.67 32669.85 17625.54 18726.79 14941.97 36210.46 19903.89 26561.98 26258.42 17565.93 17250.4 18239.21 19591.07 19745.18 24990.77 27399.74 31133.4 Cys-Gly or Gly-Cys 146543 128054.8 102081.9 134437.9 156705.8 133499.9 91131.72 102415.6 95540.95 79269.62 113591.7 123563.1 98041.89 121929.9 157303 84461.63 93349.48 99089.76 141227.5 112929.4 130177.5 169716.7 152496.8 86386.23 147671.2 127041.9 159797.8 88418.17 105667.9 159471.5 88656.67 114668.5 139009.9 120153 84360.45 104205.8 101578.1 108504.1 65001.17 97328.09 82667.35 103992.3 104984.5 97364.93 72823.6 85263.08 98345.97 107066.8 113163.5 115880.2 87404.33 115763 99421.45 102508.5 107014.9 177319.6 88540.53 129375.1 123018.9 127481.5 111281.5 115316 146389.1 75056.28 73406.65 64924.9 101825.3 91945.02 70773.97 100292.7 76831.57 123889.6 101889.3 97161.34 96212.7 105795.4 123710.5 107698.1 113214.6 77269.33 90610.96 78884.2 92019.35 96433.08 120131.8 90229.62 96723.16 73603.85 91508.84 124749.3 134374.1 110511.8 87455.13 128581.9 188011.6 101445.5 111506.9 92033.39 83354.72 110748 101363.4 144822.7 128799.8 89527.08 138422.8 101865.1 84702.99 89668.71 121867.4 141920 121023.9 84158.17 117076.7 1-Oleoyl-L-.alpha.-lysophosphatidic acid 21106.08 35096.83 30089.32 12513.05 27274.56 11259.05 16327.66 17799.88 10948.91 17888.34 13842.37 15205.78 7294.861 24228.01 24147.83 13479.96 22455.05 12802.66 20105.06 23298.63 25723.54 10745.44 25530.89 9091.149 20096.36 40501.73 30492.97 9535.386 7817.331 20735.79 9103.083 16273.46 18830.64 17724.59 12961.49 10400.48 10482.73 22936.91 13979.56 9218.119 9652.214 8212.303 6849.756 11555.06 10544.75 7620.647 11839.75 13277.43 13991.11 22593.34 8806.084 4594.13 16556.82 13195.99 8578.657 22437.75 7543.551 13434.45 1229922 17483.89 25599.27 18305.98 24135.15 12516.52 21291.62 19591.34 10836.56 4592.862 32758.62 12640.41 10251.59 18672.12 15169.54 15389.35 39718.97 20561.75 9182.116 6628.016 10432.35 12624.67 16353.39 15057.53 9495.714 11678.86 5608.466 11651.33 10857.64 20184.36 6470.024 14701.9 5890.738 17776.19 24734.53 3529.54 16671.98 15103.14 5834.463 13335.49 12247.04 15383.66 18195.12 12408.72 27940.08 9119.984 36504.62 8856.41 24140.15 19592.45 18593.64 21300.7 17322.45 28013.8 40681.43 1-Methyluric acid 193504.7 351136.3 201434.2 336447.7 190027.7 702564.2 115626.4 90946.06 277808.8 47591.45 179308.8 424498.3 183852 523362.8 147839.7 275863.2 439889.4 240987.3 35152.55 120996.6 277405.7 229985.2 108431.2 234099 125026.1 150837.8 34310.2 205992.5 57048.96 769962.4 186379.8 831383.9 230737.2 88332.84 214850.8 229610.8 231292.8 55360.91 143427.6 73172.48 107267.6 80006.61 196970.6 146525.5 180300.4 130414 188811.7 71741.8 45906.96 26804.06 182454.7 650577.1 189628 171050.2 301370.5 67924.04 147579.7 45245.01 163746.3 245341.3 110467 102107.4 270577.4 108187.1 98649.68 187322 201409.3 175882.2 171628.8 225105.4 321871.6 254595.2 202864.6 208538 47788.95 313757.1 35193.02 285879.6 23692.9 51181.98 162662.7 267752.3 94789.97 123683.9 167915.4 56968.44 426226.1 176096.8 98941.64 129165 475425.1 54425.87 62679.62 331724.9 1089763 261122.5 394901.9 97613.56 99765.29 127154.5 109405.2 171426.9 170334.2 142167.9 57198.76 111923.1 271342.2 107818.5 139045.2 227044.7 474981.6 362089 219835 Pantothenic acid_2 21262.26 21387.22 35215.31 15093.79 17042.95 170492.2 39549.06 24397.98 31399.79 54042.45 16276.75 13298.16 15915.41 30902.74 30335.76 20845.87 47165.9 21721.47 21427.14 16110.66 24887.99 23429.09 17965.15 16619.07 25385.38 26692.2 28418.63 23581.61 21038.87 101985 46133.82 50517.46 20083.22 23904.72 21259.37 19795.48 11356.49 37116.96 205468.6 17006.23 16855.83 20376.96 17817.69 21645.01 27064.21 16623.58 71935.71 12336.89 28211.18 20028.05 19635.91 107481 18833.24 14289.91 19056.87 22425.58 20819.92 21274.83 18618.91 17194.61 24493.89 25689.33 25323.64 36991.85 17546.49 29404.62 15185.75 18849.11 16581.26 43501.6 23376.21 18598.42 71353.57 93247.39 20944.27 18821.57 11613.29 13799.31 23810.61 23970.97 17221.41 18095.28 15948.03 27311.9 24355.04 12189.42 18226.68 32169.73 21864.99 22121.15 123719.4 79665.45 128675.7 26086.43 24725.2 21706.56 20503.69 65416.77 37437.54 26519.14 32055.92 32161.55 44364.68 35640.99 33244.7 32141.99 25817.89 31395.03 27437.95 27096.25 151146.5 19557.32 52302.13 cis-4-Hydroxyproline 9708.281 10909.05 14407.11 11089.2 18038.13 14690.12 14542.78 12829 12049.31 10267.55 9672.359 11733.05 11345.97 14410.5 10861.65 9492.694 9639.203 12158.59 12981.53 10514.15 9097.705 10514.56 13329.1 11653.61 9981.972 10947.95 11611.04 12060.57 12157.75 11646.13 11988.52 17591.16 11786.35 11116.67 11265.13 11542.9 8588.691 10418.21 13467.07 18080.32 15788.27 10186.49 11064.58 17666.75 12285.86 9374.453 11999.7 12435.68 10488.16 12406.11 16596.4 12812.61 12566.03 11659.75 11921.99 10549.66 12900.95 11187.59 12607.81 12532.53 13177.38 22218.4 12337.9 9801.947 9660.05 10988.44 11002.24 8086.904 11208.53 10495.35 10927 9674.511 10539.46 12665 12741.14 13041.61 12767.59 11162.82 9264.394 9753.602 9928.912 12283.01 8914.859 10947.21 10392.44 10811.51 11159.11 13734.18 11152.31 9092.958 11838.97 10992.53 25845.46 22015.82 33331.36 19273.46 19668.72 19681.15 13914.08 15883.33 16069.69 13550.38 15094.88 13544.98 11394.42 10817.27 10411.6 9338.712 8780.553 8803.188 9570.546 9463.641 10872.62 1-(9Z,12Z-Octadecadienoyl-2-hydroxy-sn-glycero-3-phosphocholine 453156.3 429701.9 206382 609248.7 280571.6 204703.1 251512.6 239529.9 262323.9 332559.5 256877.3 432418.6 196048.6 362121.5 302423.5 372758.4 396829.6 293828.7 294719.5 322250.5 460393.5 363009.8 155397.5 280169.1 354694.7 494869.8 367565 310632.4 289412.2 194260.3 168798.4 221324.2 414882.6 300668.9 180975.1 232112.3 296379.6 427233 312721.1 196817.8 185418.4 228914.7 173680.2 216885.9 246846 324679.1 237950.6 238419.2 298910.9 168193.7 254935.2 193846.7 192677.7 281965 196068.9 375379.4 223494.7 244014.4 398159.3 225513.3 151252.3 252777.6 241767.1 377697.3 237672.5 261728.2 210380.8 462765.4 289071 177743.8 380343 120178.3 245895.1 223492 240804.9 167463 382045.9 496112.4 282907.6 390426.9 194783.3 255389.5 279392.6 322782.1 430010.9 253711.8 330486.9 232587.5 276491.5 185011.7 201669.5 218259.6 375478.5 572585.1 420593.1 462889.2 253485.4 282680.7 378025.7 267476 231367 502996 230450.3 197616.7 439848.9 226593.2 419765.9 268644.5 257731.6 371126.4 271775 493657.9 388528.5 2-Hydroxyethanesulfonate 408263.3 491186.3 317650.8 374842.1 397274.3 441587.8 395993.3 338496.3 297865.3 301094.4 315762.1 325014.7 343496 348971.9 300302.4 359008.5 416309.7 336534.8 273298.3 294496.4 362826.1 340616.6 328232.7 346633.2 290013.8 345954.6 353828.7 367908.6 360566.5 291740 365305.4 337683.4 239132.7 230633.2 183728.1 225173.7 212267.5 278868.4 265887.7 225163.3 225318.5 204733.4 256314.6 270285.5 235010.9 241877.8 229348.2 247860.6 318397.3 234230.1 345203.4 360747.5 276008.4 253178.6 295894.2 242192.6 302832.3 218571.7 304463.6 297154.5 333707.8 241612.2 326413.3 346561.6 195699.5 202888.3 229875.9 281754.9 317655.4 278394.4 389449.1 336548.8 282258.1 318682.7 364638.4 307006.8 387731.3 376083.2 366530.7 375189.5 287846 336081.8 243609.1 387731.7 426686.8 383389.4 449376.2 279542 414708.5 318864.8 364714.4 417830.7 322916.3 340016.4 360502.1 360260.5 334407.7 345884.1 434792.1 390628.7 341572.5 392508 334117.6 327841.7 335443.4 372214.5 343812.3 397158.4 382846.1 392458.3 409450.7 383865.3 371841 N-Acetylgalactosaminitol 7845.552 8729.477 7004.28 6585.739 7388.633 6285.423 12274.7 8337.073 6763.518 6288.949 6436.454 5896.571 10195.67 9322.887 6425.338 10289.69 7410.623 7207.228 6244.843 10492 6932.897 8741.375 8814.517 9926.889 7165.363 6062.345 6362.556 7196.256 10126.44 5648.6 7715.101 10047.67 4976.121 3500.832 4080.367 3220.764 4520.152 5166.516 7514.034 10310.3 6702.099 10719.54 9409.106 8125.077 7355.398 8161.065 6146.38 7988.286 6765.249 4889.072 5911.235 8797.678 5853.072 9102.628 7965.486 5059.399 9378.081 6442.484 8689.637 5802.304 7763.751 11240.17 5739.29 4840.101 3649.828 3885.925 4974.641 4069.059 5805.915 6502.099 8733.067 3838.487 6112.694 7768.361 6301.493 5133.045 7606.34 5528.506 5899.175 5925.485 5142.129 8161.474 7395.819 5945.007 6645.672 5253.125 7117.887 6390.472 5637.106 4409.09 6077.329 8347.504 6551.067 4419.163 6337.967 5636.656 4840.999 8625.624 6675.619 5611.873 5069.423 6280.572 7198.293 10742.81 4669.743 6574.821 8110.551 5078.529 6187.294 5399.017 6304.085 5063.897 5281.118 Arabitol | Xylitol 38585.41 62724.35 41377.64 42619.51 52988.65 66971.42 52565.87 39714.4 44153.68 75335.7 44779.05 32661.81 40767.02 55669.03 36432.63 49868.88 57135.29 57090.88 43689.59 52143.96 40685.46 52498.07 51641.33 43079.29 40924.75 32873.13 45062.29 51538.13 43207.85 80903.64 74658.62 53138.11 42653.26 23684.55 27222.72 29193.62 33139.39 34727.17 39793.09 47970.03 39881.54 31177.72 36227.12 46277.96 39690.68 39153.26 52932.55 29567.19 34565.25 38121.57 42485.78 50459.97 43699.01 40165.01 45461.32 31342.61 36807.8 44353.66 42055.12 62086.56 39784.49 49887.97 34628.92 58848.24 29322.31 31066.14 34507.37 30051.75 36206.6 44109.91 55030.28 35711.43 53104.94 70905.91 56849.33 52556.09 34933.46 46665.1 35053.32 44686.39 45727.72 37964.88 36925.01 51675.86 40466.22 63509.95 71834.38 40968.12 41173.98 47276.17 59732.24 44542.38 25521.23 36640.23 38814.36 32490.14 55188.26 33012.56 32394.16 42276.77 47389.12 50646.43 38435.42 31905.72 38855.02 49273.49 47558.44 54189.1 66548.62 49511.46 59733.99 67217.63 41056.57 Pseudouridine 1064515 1114586 1319063 1020966 1147161 1180529 1080443 903282 1210304 928398.4 950937.7 1013130 958694.2 1520161 912311.8 1097904 1009563 1138875 1176534 972992.4 917364.9 1041255 1300657 954956.6 971953.5 1017323 966844.1 1079558 1150002 1169960 1166565 1645383 937171 656685.9 588208.3 744730.1 695800.9 768006.3 990854.7 938028 940861.1 804895.3 829013.7 1057323 1103608 944480.9 940046.8 879999.9 886288.8 924271.7 1158219 1060858 1010028 1044000 1142703 867571.9 1037529 1013926 1352510 1085034 1120693 1115944 1005739 923029.9 727491.4 881456.7 811692 655011.3 824506.8 860151.6 1001803 1033049 1029723 1110113 1265919 1096267 1103914 961540.4 843182.3 842180.5 935211.6 1061599 823596.3 1020884 894834.6 1065021 1046399 1164834 1043713 1044774 1069145 924847.2 601261.7 854403.4 874554.4 840433.5 999006.1 773351.3 808403 1090729 996659 1087537 979504 868972.1 866026.4 1038652 1016573 1013279 1058927 927402.1 994953.9 956727 992225.2 Bis(p-nitrophenyl)phosphate 35456.52 22927.81 19274.68 21683.33 23138.45 21436.3 22376.72 19404.85 18038.85 20052.43 16530.58 25488.85 19713.9 24988.95 32576.07 22690.38 19527.62 19604.2 21800.91 18785.24 25549.93 36368.38 23053.45 21623.15 38378.47 21263.1 35959.82 27327.16 28704.53 23120.65 31436.48 29961.05 53375.49 36481.18 29424.78 37030.96 29899.44 32494.74 37040.76 31614.21 32981.83 32530.65 36954.18 26052.52 33179.76 36336.91 37525.6 41178.8 31415.57 31657.62 43329.77 30397.67 32180.22 31276.52 33310.04 73023.72 42660.44 33068.05 59580.03 35855.61 43270.95 43026.32 56393.97 461.1349 15065.78 11893 13144.3 19091.21 15298.51 12087.62 7725.039 9662.118 10877.14 12277.91 9731.547 9403.4 12047.38 11322.76 19621.42 9265.336 12127.25 10323.39 12243.32 10734.32 16697.44 12118.29 11818.68 10949.73 13261.72 10124.34 13836.21 20795.03 10657.67 12158.92 14071.95 13815.2 11696.71 14301.74 13990.71 10644.61 5507.515 15755.27 13450.49 13001.52 18959.05 12822.79 11673.79 11970.19 14158.23 12862.08 11802.84 14600.92 14879.52 Inosine 2422.028 10777.28 2599.008 963.0236 503.2198 2207.713 4076.695 3370.558 3694.337 3436.312 3749.845 1740.74 5026.914 5431.51 2755.404 3368.952 1952.521 9081.817 6053.321 5771.869 1915.843 2176.776 4660.725 4428.443 1029.317 511.2056 897.3209 5879.124 8396.899 4325.095 16634.35 4505.87 1479.229 1988.744 3029.153 2512.023 148.2577 1848.136 1396.238 5310.719 10879.18 6072.441 4792.178 2573.215 9767.548 855.1006 3073.295 2014.84 2266.171 4449.84 2019.252 2527.623 2845.549 616.8532 2102.989 3255.928 1988.152 4283.697 120143.4 3519.435 3010.038 4942.754 1806.4 1073.483 2376.435 2455.304 1716.722 1592.959 3018.676 2945.001 4633.251 3414.259 1700.921 5327.565 6382.296 4530.024 4123.864 1351.478 1225.72 1630.76 4105.865 2323.166 8289.308 3665.737 12743.56 4241.211 2455.903 3498.685 12297.37 2529.39 1650.301 6293.98 3913.115 1028.156 652.8155 1515.757 1047.865 13189.3 1605.624 4218.625 2482.785 591.1905 3312.015 6255.346 1962.905 2838.18 5127.471 4440.326 2029.592 3046.038 300.1492 1286.787 1571.226 Phthalimide 68562.15 85002.93 101659.7 83777.82 97177.29 80253.15 91389.6 98903.75 116240.8 94344.57 98851.75 75736.79 96728.1 87241.39 79509.23 95776.51 91754.54 96189.96 81620.22 80885.16 91631.71 61519.53 87132.91 95488.73 63988.44 62666.82 67143.92 68789.76 84953.95 51939.78 94042.9 68710.48 68453.48 30977.12 30445.03 34499.58 46995.83 56809.72 75311.97 70288.59 90367.8 67378.54 122374 108282 57965.79 74803.8 84343.92 64939.68 102208.8 87184.09 90454.25 105992.6 77860.21 105784.9 80578 92720.88 91437.62 98050.92 139274.9 96583.7 88451.16 64924.84 63294.24 36433.46 23508.91 37066.08 45756.21 58053.87 70522.83 34646.71 40666.78 39992.57 41232.44 36247.24 40656.3 59584.93 74386.27 69564.34 89458.92 92826.87 38575.26 53653.76 45291.16 68472.49 79088.43 111901.9 45929.93 38004.35 55861.86 53727.82 50564.96 74600.6 37579.25 37804.4 44015.07 44545.65 58220.72 60812.62 61118.07 83483.59 88943.93 93798.21 100225.1 67159.12 78885.05 82248.68 80900.5 55648.39 88050.1 70447.8 63124.09 84212.92 88050.4 PE P-36:2 28837.57 35054.84 5558.637 25209.8 17405.58 5890.43 28963.39 19579.53 17560.95 9147.892 21740.82 11798.36 9545.929 14296.09 6470.575 30129.38 18499.32 15347.68 3784.929 28113.7 32185.69 38145.84 4202.234 13023.69 25493.95 49986.62 61473.64 27222.4 34544.11 20833.84 14252.63 18944.02 32094.78 22089.16 12284.36 20286.5 12836.52 16278.04 4882.081 5496.553 5053.559 57657.52 14308.9 6812.772 27408.15 15078.65 5328.772 12644.12 25110.47 4802.672 3468.822 4506.566 24294.86 42035.72 2976.865 5580.39 6007.324 2202.6 7584.675 10273.08 3765.63 2245.803 9484.034 99133.26 715.7009 2033.836 958.5832 13091.52 5758.167 10405.21 50156.72 3676.333 3329.474 12585.47 11358.54 7745.914 397.6563 4731.307 9388.523 48550.2 1506.774 31593.46 17447.51 21876.4 39610.46 1165.995 34462.32 4267.625 7513.161 3866.987 6584.667 19723.77 33437.29 2635.06 17252.92 33150.83 219.186 21619.02 11041.61 23953.17 13815.41 527.4541 36936.6 30379.85 11935.64 10109.66 110032 14480.54 43320.36 31224.71 13251.35 1824.222 16694.77 1,3-Dimethyluric acid 396095.9 506940.8 514172 527733.8 799857.5 688466.5 529125.7 425431.6 539707.4 400232.8 549242.3 676875.5 448878.5 544482.1 498134.2 565570.6 678738.6 487346.1 383361.7 477856.3 592585.8 504003.1 448115.7 448121.9 469894.6 443406 404644.2 489675.1 373948.7 931324.4 497049.4 637156.5 475401 359340 413572.1 386684.3 499027.4 424782.7 793938.7 408836.2 428292.7 412300.2 433270.1 399892.7 521941 444482.6 480201.1 431458.5 399505.7 376697.4 376639.4 799111.6 503477.6 524670.9 523587.4 435366.5 363700.2 382504 515630.9 454508.5 563542.5 461279.9 534646.1 439275.5 379759 435858.7 419601.2 414384 359322.7 441363.8 621947.2 522670.6 482723.6 501126.8 388291.1 564136.5 376409.5 586607.7 437193.2 383785.6 573465.1 649660.7 426604.4 432461.2 454370.5 538012.3 607713.6 549973 432434.2 434529.7 566171.8 464483.9 386529.7 405182.2 754040.7 410960.4 547087.8 372243 362254.9 372185 520437.1 390568 471622.1 527649.9 404687.9 546345.2 550967.1 331808.2 454079.3 462927.5 633570.8 644714.2 578712 PE P-36:4 16482.91 20728.39 16928.25 52457.12 21602.63 8402.566 70142.93 34485.04 43398.03 57860.98 20790.48 22227.63 47541.65 5801.726 18748.66 20920.87 25942.59 42251.2 5762.346 65853.33 38048.37 34402.63 35297.81 62037.34 52208.15 53560.64 39467.79 63872.17 88879.81 53332.27 28408.79 2012.433 26860.87 52969.13 35340.16 53310.89 11098.96 81093.98 44563.23 23829.54 14880.37 66741.88 42074.49 24700.28 55634.48 13084.88 26417.93 11490.88 61252.17 28670.61 20705.65 14907.69 63637.17 39752.24 2625.775 16672.75 31352.17 1187.464 9392.901 18753.08 27665.05 17417.05 57972.62 198270.8 12754.43 15948.94 16515.07 1293.43 39815.99 18972.29 31133.13 22519.47 31865.73 28512.28 13019.32 18403.88 727.0765 9754.847 11942.67 69540.53 9403.629 86262.32 39483.58 37345.54 6776.641 16457.21 30085.61 14945.61 12824.34 31970.68 33167.08 76328.8 124636.3 5086.369 7083.599 69992.93 3128.909 96750.1 40553.35 40134.4 32993.27 1145.881 82441.28 36869.5 18182.77 28950.29 120501.9 13851.86 54464.28 75371.83 35223.54 24311.54 94477.26 PE P-38:4 98179.57 148476.4 88187.48 127886.7 108203.9 28756.19 187911 119192.7 132722.4 133348 89485.05 88637.48 105019.5 46143.66 46673.44 99527.64 58681.78 121082.5 25451.03 145821.6 149091.3 119157.5 97071.82 139746.3 137593.7 220210.1 152368.3 156980.1 211677.1 90647.72 109222.7 47911.44 106762.3 147314.8 104625.7 148224.5 71043.18 210750.7 85555.12 106675.7 60862.1 229455.7 111886.8 86228.01 146162.9 80343.53 91926.71 39788.72 162909.7 84620.89 94041.33 46832.54 158337.2 153593 45316.04 44120.27 93100.5 10697.02 42202.29 52353.05 109767.8 60069.08 152313.8 394405.9 57302.03 59029.4 41463.8 17191.93 79938.47 69000.76 139580.5 52245.63 54847.06 70613.45 49179.91 60431.21 4938.209 46977.34 36856.02 151295.7 7482.421 169218.5 92324.08 90398.85 56310.46 28268.9 116500 65760.27 44820.55 89586.03 73340.1 204913.1 261216.7 12728.89 61815 218946 12585.52 238265.3 118510.2 128465.5 101142.9 5947.462 188881.9 121985.2 52186.1 87961.39 216043.5 65919.9 149850 118565 64834.75 47299.43 203214.4 PE P-38:5 22757.85 45012.15 30319.6 48722.82 47365.29 23547.62 73235.59 49252.96 48662.95 104224.5 36231.59 26676.67 82712.47 22933.43 18586.1 37703.22 65953.65 67009.11 17824.02 74816.38 78860.36 87922.56 40804.84 113974.5 52514.28 127676.7 70933.29 93274.21 123645.6 56729.16 92045.23 24708.58 54163.99 70892.56 37004.48 88146.83 30644.32 85085.88 49657.78 24385.7 21134.99 124862.2 57657.75 23975.89 63872.45 27737.45 83422.9 15526.34 70028 24091.44 29534.7 33720.94 66308.09 46942.5 9786.991 17784.71 57756.55 5283.205 21006.45 33202.13 27174.86 15108.54 71097.23 241994.8 21997.75 25422.18 23000.69 6640.735 58070.72 53874.85 67731.87 24218.15 70718.36 52854.45 30511.69 44662.54 4404.195 19632.48 28129.25 113864 34026.73 83368.88 68139.46 75126.31 31512.49 50066.97 72900.6 46902.44 54271.47 53785.49 71240.7 131507.7 165322.7 14881.1 51815.76 109613.4 18757.17 127356.8 74820.46 76156.11 57414.64 6613.65 131406.9 64047.62 39903.33 75775.94 172052.6 61721.52 120490.2 228246.7 101081.6 40347.02 131508.9 PE P-40:6 12224.78 15223.34 4760.138 12631.88 12188.98 5309.95 21944.74 9529.889 7260.523 34545.56 8485.191 14225.37 26304.77 5076.292 8520.728 22315.78 11064.06 16941.36 2130.233 16256.03 37491.89 46633.86 5451.708 36814.78 25145.54 35947.7 31802.83 20458.94 29064.53 8505.402 36590.4 1950.354 13985.98 19715.46 12024.26 28758.52 27820.08 25826.63 14067.82 7622.127 15110.11 42895.2 24330.81 2017.679 15977.16 18798.94 30694.91 4024.699 21046.01 6936.228 5441.291 14071.99 9477.348 9510.773 8194.954 11973.83 21378.03 707.818 8158.631 4631.893 9477.806 1992.907 25972.32 75058.78 2377.85 1973.985 3815.35 1245.35 5914.491 14680.69 31663.05 5295.046 18967.34 15931.98 7186.074 5617.389 893.9203 6605.167 7125.832 29878.97 2549.086 20015.82 6146.782 13298.03 11326.12 3402.345 17398.96 1866.323 15282.73 17505.3 11712.61 37562.71 53704.95 1403.074 16054.44 32367.09 690.8252 47853 19426.81 11933.47 14001.31 2865.964 23203.9 18242.99 6777.47 5349.886 29370.88 11764.32 11310.2 24208.73 18055.54 5505.682 35929.78 Dodecanedioic acid 279902.7 128218.6 57891.42 55470.22 277054.7 98907.05 85840.26 81994.83 80995.83 103472.5 96624.34 64121.78 115359.4 134453.9 68964.11 80522.98 108964.7 94350.01 68163.12 119453.3 89706.97 160528.6 72207.61 125052 66029.09 110127.9 154534.8 92470.96 44624.33 71332.02 90382.77 205539.6 60566.09 41258.82 52616.14 37584.97 55896.16 27981.93 36641.1 348232 261006.2 40689.16 45080.64 66346.67 65203.56 51914.8 46562.65 85145.18 34468.98 97436.57 292482.3 93345.66 32902.08 34158.44 44034.69 36244.96 39165.8 49780.78 83159.21 43742.83 54937.51 49663.47 45008.27 52756.33 46167.99 48570.89 44233.86 287486.8 77121.12 600555.9 99040.75 73506.33 73233.01 57952.77 65546.19 54483.13 92309.18 99953.93 94871.28 59839.37 123063.4 62550.15 57015.15 51385.23 187989 120797 187503 64656.56 68782.62 114977.2 71543.6 116504.2 47809.49 77549.56 246439.5 75458.2 68623.49 66979.14 36771.98 43714.73 164422.9 89777.55 82307.94 65435.32 90662.44 98801.97 103004.2 63935.51 105698.4 94299.64 419621.9 138205.6 74503.24 Glycolic acid_2 145610.2 108692.6 78079.23 161141.8 125971.3 137370.3 139316.5 111458.2 82223.34 114903.7 109007.8 124093 100328.5 96453.21 135785.8 84590.34 200927.9 107865.5 85102.17 100257.5 132526.4 177757 106957.2 122806 145390.8 121143.7 110431.6 96332.09 105248.2 91972.52 130160.5 94236.04 101556.1 136849.5 117000.1 115725.3 81393.57 183919.5 318571.6 77391.19 85828.43 94830.32 108807.1 73932.75 100797.3 108908.6 140726.6 121446.5 173611.6 128046.6 122218 146133 112500.1 120431.6 86254.87 169710.6 129389.4 105334.8 173021.2 108088.7 121557.3 77825.69 106261.6 131589.7 114455.5 95410.02 122669.5 161561.5 103263.7 147182.1 125212.4 118090.6 127817 140548.5 77667.72 104012.7 125562.4 126095.2 133869.9 127113.8 124088.2 114896.5 83949.15 151386.5 187530.6 178546.1 131084.4 90867.65 130650.7 115906.2 147506.4 130508 142836.4 128722.3 163159 141853.5 159240.4 132144.4 130006.4 108153.6 119085.2 136600.7 161784.5 118752.3 157759.9 134498 118935 134877.8 131147.9 137111.1 152552.1 158413.8 173133 Allocholic acid 291.7501 724.3165 53433.16 3679.334 1120.249 12521.25 15998.49 19732.7 22308.13 764.7108 42494.6 800.1859 20359.83 2103.891 613.2797 5936.824 495.7716 14170.59 135166.2 17731.09 45421.59 3281.149 866.1305 5020.761 862.784 1333.209 3195.424 112623.5 98059.3 1048.304 451.6419 450.726 5405.256 10535.25 16798.7 726.6301 64714.35 15252.02 31659.08 8798.108 8988.291 8207.349 7179.972 29193.25 24595.46 170363 156440.1 3444.901 2838.155 2963.083 6779.883 860.4417 4183.739 2325.687 8573.857 1807.62 154823.1 49834.57 622.7955 1810.437 245.7899 6828.598 3826.951 1103172 712.5274 42821.04 408.476 238.6614 220010.5 20452.21 7780.684 960.7306 144427.7 12400.52 2556.532 1360.203 8592.312 13208.89 1647.629 113439.1 279.5675 1495.017 78045.81 1003.238 253.0146 807.8111 683.7188 14584.01 795.5304 1086.584 5653.924 6134.813 162453.1 801.4019 6341.664 235314.7 437.4173 3516.271 24638.69 48751.59 365.6711 435.6791 14003.47 673.4091 4209.272 457.4086 16848.8 1891.767 4260.733 10377.86 1589.354 6332.9 6960.481 Uracil 24015.86 17781.87 21278.28 19379.13 18835.27 17671.51 18411 14983.62 17263.66 20802.07 17372.49 15654.73 15392.6 15863.45 18690.95 15969.96 14600.64 16215.83 15826.36 20575.78 16435.89 21289.31 15820.87 16824.95 16845.23 21286.07 18758.42 15216.65 20837.57 19130.57 22473.81 17785.26 17390.18 14861.68 12151.43 16914.01 11590.34 17306.93 13987.16 14468.42 15179.3 16797.62 15776.52 16866.31 15769.97 11231.73 13119.33 12044.08 15561.56 19403.52 15186.58 11889.53 11554.23 12204.34 11345.66 12980.25 16035.29 16308.6 18509.28 14424.15 16062.19 14606.66 13460.76 18648.93 24109.51 20912.83 20850.34 24699.46 20864.8 19381.39 21331.99 19573.18 23187.51 19941.18 18604 19760.75 16680.78 18460.03 17375.53 18211.47 12854.47 24613.73 22761 21119.25 24808.41 23846.25 14497.85 20933.78 19066.52 25664.65 17797.27 20303.22 16459.68 21480.88 17807.12 18968.02 19312.91 11156.78 13352.21 11234.44 16535.83 15458.14 18574.25 18469.57 24858.63 15752.81 24233.67 18358.27 23293.61 33738.78 24022.68 16113.42 21177.21 Oxypurinol 40101.8 35068.93 15126.57 36952.21 38288.22 33509.91 40128.49 51014.92 28794.96 41162.47 35584.25 34524.68 64701.83 34699.48 38990.01 47998.07 34635.38 36437.23 36732.56 43370.89 25426.9 37560.98 56406.62 22547.06 48324.8 21913.97 31160.71 30131.78 6462.449 3392.867 1166.329 330.4104 41.19483 5793.968 73.71557 47.09602 56.62306 104.3811 42.41244 676.7383 1016.129 368.3295 20902.04 276.0588 3003.445 190.8276 57.7972 1102.935 111.5422 1584.79 760.7764 6339.916 996.4826 1725.881 42.61064 18227.1 2289.289 406.849 382.7221 4189.412 5161.568 80.36846 529.5965 1683.82 6956.194 2583.324 21595.37 10746.56 7488.012 11698.59 3325.89 18307.84 1882.344 11561.42 14312.18 8521.937 39767.35 2715.37 3035.057 1957.424 40510.21 94400.79 8570.207 4707.944 16965.57 17744.6 32253.9 10637.75 34542.85 45974.49 41470.56 19358116 22531039 4795.584 21742.66 4754.033 63211.66 9990811 40463.36 56191.8 38775.36 1683.31 26883.74 82554.86 43379.2 1125.866 48149.51 95809.5 55882.57 3883.217 31635.55 4670.98 20442.33 3-Methyl-4-pentenoic acid 100539.1 97030.25 93742.09 106700.8 98784.31 119724.5 100226.3 113023.7 79944.46 116667.1 106402.4 108605 129265.6 110249.1 98810.22 70241.7 83277.02 121625.8 112351.4 107565.1 97721.46 97057.75 92686.13 136107.1 95469.99 122031.9 101977.8 123719.2 180690.2 118522 121179.9 135025.3 99491.26 112308.8 122126.4 114322.6 62904.09 96757.41 132668.7 129742.5 126295.9 76400.91 127567.1 136085.8 87155.55 67893.02 85819.62 75928.9 77804.62 68142.11 148094.7 104556 105919.3 76980.13 74240.55 96735.4 138684.1 90874.34 150611.8 110118.3 115233.1 140850.7 120614.7 92120.46 94936.14 96534.23 101243.9 99146.05 156310.3 109555.2 88004.38 83850.66 106646.9 113702.8 111940.5 130328.1 131911.6 116922.1 102088.3 85288.09 107254.3 110205 100052.3 101014.3 112866.7 128695.8 107496.3 93527.51 129351.9 86007.53 118278.9 142030.1 135156.8 157401 125215.2 176884.9 143482.3 152841.8 163376.4 117789.4 116112.7 148944 102656.8 104598.9 112695.2 129459.3 93968.88 128791.2 147327.2 130479.5 137455.4 136594.8 118876.9 Sebacic acid 39430.61 35719.35 32356.21 34940.91 41445.8 47419.06 40407.63 32948.4 28286.01 61972.7 37710.58 30955.88 38068.85 43191.58 31661.23 27816.45 50460.63 40736.16 32825.01 37140.84 35965.92 38658.57 37495.31 53981.99 28762.4 36412.82 33496.05 40182.68 25815.77 37816.01 61517.76 85878.61 52777.29 17855.83 21086.98 23245.43 32969.51 29242.37 39079.38 50279.91 41052.47 37965.05 28097.47 28996.39 30091.96 22152.5 42588.33 20696.69 16417.77 23145.64 49848.52 20706.47 16694.02 17184.98 18002.7 14905.05 17880 19750.67 38570.54 19893.46 19989.02 20913.68 15374.53 14899.31 30896.52 35548.55 27466.32 29208.92 30800.2 43467.98 34851.91 40783.42 42343.36 45640.54 29041.61 21489.64 29548.4 33657.52 39252.41 30077.61 53177.63 28180.86 35914.19 23542.19 29402.69 29336.71 39982.13 25221.62 32178.71 36030.48 31999.32 31853.78 18521.85 40689.43 26264.48 17143.72 24981.79 28385.43 22066.75 21913.51 27080.31 26938.57 27828.82 17936.62 25614.34 12828.58 26217.15 14683.97 27301.84 15050.1 24773.36 57876.68 35494.14 N-Acetylcysteine 106310.7 97002.58 117475.5 86963.93 114949.7 81131.37 61104.13 109993.9 110633.5 101614.1 97164.46 79766.67 94879.91 89904.73 106977.7 103048 101023.8 108576.7 80995.34 106283.1 81104.8 66321.51 118174.9 93166.32 131800.6 100324.1 90878.09 80649.81 91086.99 89959.76 87902.77 100804.4 125945.4 111362 106662.3 105909.4 90915.36 104008 95132.02 75878.24 92980.07 74312.01 123208.6 114185.7 100839.2 125047.8 101629.8 93570.1 111799.1 89303.31 97932.92 113252.7 110477.1 108455.9 136505.6 128224.4 114485 132550.2 31634.73 135721 126450 123124.7 132371.7 73514.15 102079.8 85887.66 124309.9 63597.07 94853.68 97988.82 155997.3 84081.89 82052.76 101552.6 114959.1 80840.6 70038.77 77586.05 106514 80663.61 164425.3 157115.8 107935.6 113423.2 104467 67872.84 135716.3 163973.1 98916.09 91026.54 130028.7 129177.4 86053.44 105624.6 117227.5 88054.73 84179.09 107661.8 95386.05 89694.24 86487 85020.42 74212.69 101134.8 78570.26 74614.05 83053.84 81296.64 87147.3 89216.69 56678.13 100898.6 98067.86 Glu-Asn 355323.4 292805.7 276174.6 247869.7 216983.5 148425.8 191192.4 147130.5 174469.4 165050.7 178566.2 201133.2 189778.3 170268.8 178775.9 181202.1 185951.4 170604.9 169895.3 183029.7 170726.5 193954.3 194190.4 186145.6 204035.8 202969.8 198080.8 219145.3 216931.5 219918.8 272172.7 293088.9 308142 86535.09 84232.12 98758.6 85890.38 66551.75 65896.97 82752.43 75249.14 78106.01 84196.74 72594.22 88056.55 66367.56 77307.92 62946.72 51072.74 59048.63 68646.54 71133.77 66523.22 86503.26 88069.22 72582.68 70053.11 81376.21 51986.92 99512.28 161574 121270.5 117763.4 121929.5 50093.24 50702.59 71868.57 86372.59 140484.3 141453.4 377916.9 722185.3 465594.8 577050.8 341964.9 182824.5 215000.9 164884.3 143636.9 108486.3 129212.9 138803.1 159267.5 124848 147066.4 85298.91 136969.1 168606.5 241721 238567.5 196536.5 349040 100893.1 67439.35 80428.83 113747.1 85698.53 106153 88865.26 92485.27 109669.8 72188.91 62608.43 67139.53 62116.02 80048.56 59749.77 56248.36 62877.6 70042.54 46317.41 73716.03 44685.81 Indoxyl sulfate 6896008 14427136 12264509 14790747 7279089 7199434 8243890 6290579 13197439 9324903 2813375 11983976 10859319 5828791 9210089 7120208 19819775 14008336 6147450 7974960 6859545 7097313 11609901 14240346 4881325 9185257 11552510 17508036 4645857 5713407 20042050 6596482 13412029 6106750 6717562 13261551 5472081 5644740 9377092 10434552 9305795 4833379 6775331 8315235 11484379 8617544 11946282 7841119 4442082 9895085 4095833 5879836 8259570 2883224 8297939 7127506 6803156 8379352 17173974 11900350 11203477 9681716 8871152 13214599 16412931 17242522 24761789 15717713 16665173 10377248 11536892 16079663 12288778 10987893 21272244 22634549 3619961 14953868 11994662 13242332 32350082 6756559 12713828 6357456 10997947 29162234 14351441 27354431 20902714 14545802 15108409 1517384 2305583 21682815 6584533 11277648 27822157 3185517 6527714 14361818 21944806 13828557 15892099 6983304 21805595 30157571 14844675 27691068 10229392 32965902 12895206 28356854 6364073 Tetradecanedioic acid 818643.8 840431.7 412351.9 786235.8 1080374 687908.4 698796.4 1165416 305427.7 1351068 579896.3 524087.7 1359923 1275617 1221941 492341.9 678593.4 816426.6 1048124 645498.5 928282 601571.5 586785.6 822747.8 922940.9 744474.7 752342.7 664755 1013468 554804.2 404965 724091.7 645609.8 266159.8 488533.3 230449.5 294463.5 198096.8 158560.3 252577.1 218944.2 193912.9 345824.3 167588.2 211761.3 626724.2 430913.4 528126.2 198365.4 363411.4 213353.8 367015.5 286097.8 174906 434077.4 391252.4 184840.8 247965.4 284597.9 392661.4 223796.7 202541.8 273878.5 571191.9 362791.8 417841.3 396688 766122.3 1128732 3565085 532777.9 481132.9 738582.9 493898.9 470575.5 568869.1 1045166 565116.8 700682.8 509286.3 597755.9 336044.3 404644.1 339991.4 802039.6 918246.3 732433.4 326005.6 804488.5 953059.7 613420.5 437796.9 465735.4 1023805 809817.9 1485817 578506.4 783114 514835.2 800940 486528.3 1215878 765000 462268.1 1587437 499192.7 308123 530257.6 689802.5 594224.8 874649.9 955509.1 1165180 3-Indolepropionic acid_1 1426087 290483.4 193796.1 443310.2 425380.9 3109505 705128.5 856495.1 189164.9 888209 430868.5 274201 485270.4 1513929 3362738 102991 574320.7 581041 1333504 357734.9 1031549 599148.9 391318.4 470131 2629800 309476.3 334572.4 895727.8 993490.1 2279591 259361 1619808 1662793 1146144 822535.5 942855.3 213495.8 74107.25 371447.5 10155.13 17953.05 735147.8 436381.5 464265.4 654202.3 302828.1 458821.8 802129.3 83592.75 1258814 1136065 2026595 238261.4 140763.9 186940.1 1004909 538715.6 505820.9 511693 210415.4 80248.15 335415.7 211517.8 82628.19 763909.5 346812.4 151355.9 516913.8 921969 288737 112832.5 144823.1 275202.6 655384.1 336940.6 74791.9 2075305 661550.5 483406.2 71159.84 249955.5 501037.8 557828.3 20473.49 952965.4 447592.1 998517.7 178798.3 556744.9 942970.5 1580567 491037.8 271738.1 1164464 1183413 585202.6 538836.5 487578.6 322171.3 654955.6 374656.3 1805333 361193.4 610238.3 376050.8 354860.1 162218.5 458147.7 541389.4 466593 2304512 947848.5 1115639 9-Hydroperoxy-10E,12Z,15Z-octadecatrienoic acid_2 370456.7 119566.4 107968.7 512432.2 139057.3 164533.2 221656.6 343296.4 141588.5 166926.1 672754.6 116954.3 442676.8 247602.8 218747.3 150775.4 197587.7 258002.2 274275.4 139668.7 225129.8 137885.8 131031.5 247015.2 191836.2 161280.2 243758.6 135817.1 192204 142558.3 86266.51 1279978 351905 179293.6 495197.1 404534.5 185379.4 284651.4 193947.8 492232.3 236489.3 258311.9 345347.5 384217.9 151181.5 156860.8 239734.8 193709.7 122708.1 185128.2 243530.3 132782.2 196170.8 242249.4 128148.9 264520.2 147480.8 182804.8 292416.9 235465.6 65280.74 336562.2 147944.2 179016.6 129089.2 178839.1 197602.7 100131.1 171278.2 83356.31 109804.5 279418.5 252891.2 145181.3 268993.4 254772.6 215588 137246.7 272233 156269.2 276602.7 164189.3 175613.5 349674.3 150394.1 468594.7 92672.01 106646 208091.4 258339.3 344240.7 324682.3 275296.4 207267 133426.2 331590.9 532616.9 211457.2 121139.7 265331.9 63168.86 186106.9 203028.5 104175 167047.2 112800.6 156997.8 98054.77 158450.4 153160.4 90269.25 288919 92865.25 3-Cyclopentene-1-octanoic acid, 2-(3-hydroxy-1-penten-1-yl)-5-oxo- 47313.03 17023.37 29252 69343.21 75513.46 37515.56 79290.19 154992.3 40325.51 110855.9 108209.3 18984.43 168174.3 69053.04 78881.58 28422.53 24497.9 61008.93 84545.36 41236.81 44890.58 19641.45 34331.77 121234.3 70766.82 47095.36 103132.5 32977.96 59905.01 21757.49 17782.79 221167.5 154547.9 51229.37 197215.4 51681.56 62638.14 47341.58 34763.39 191758.8 63358.94 70226.18 157053.5 99390.39 52052.19 36435.21 83705.73 57912.29 32588.22 119674 68622.93 57265.96 118638.1 97495.93 35663.79 120106.9 155724 119500.3 85121.38 114079.1 22422.12 215429.5 136667.1 12974.19 19644.19 24508.82 45169.33 5157.092 37262.51 10124.78 20619.29 75975.87 30016.26 16135.99 54812.22 27771.01 30094.3 8594.032 52789.93 18675.89 24509.66 23901.15 28822.26 49480.02 13303.59 43506.47 7707.363 18137.04 30720.14 87170.47 33595.52 68618.92 35958.57 17454.93 36527.55 36677.82 38658.26 33252.63 22191.99 40324.67 8357.049 22450.95 20395.46 17724.46 41174.73 16602.35 27876.55 10348.58 27207.57 20907.5 9994.694 23671.78 11391.79 Paracetamol sulfate 74149.19 322.3776 401.9394 40547.81 287766.4 3930.295 67958.9 32233.52 278294.3 1774.496 0.2474723 245.8755 42108.84 38511.92 15.75803 20.35071 751.2287 40000.62 10916.24 0.3757168 11763.76 272772.4 1.305579 530324.1 305.3427 731.3085 8665.192 80830.11 5672.126 3177.819 0.2268583 203991.1 14042.87 105496.7 502604.9 18247.4 4201.655 75046.5 32013.26 28183.23 2089.288 17707.75 2035.733 134567.5 40297.59 6067.807 2396.158 3376.403 5.210711 2091.111 3609.808 15587.41 18169.79 6.341535 561.5431 15658.18 8488.813 12700.21 711.783 1977.027 2702.487 14081.15 102.0432 733.6607 345.8831 513057.7 615.6829 2580.145 2479.912 10375.99 114.1872 287.1343 5093.917 16236.03 5622.265 60036.26 50711.92 14995.07 6476.977 599.4126 0.03477111 399.8809 3659.822 36.98201 226611.5 9991.4 9656.113 1033.192 13746.7 1701.984 537245.7 1339.537 25224.3 408335 37457.88 5798.937 4872.775 1255.617 1072.538 5759.498 7207.307 128331.2 10458.24 128.8298 6670.104 10634.1 9.632964 1048.415 3774.804 3600.871 7781.89 15193.65 390.1204 Phenyllactic acid 317853.4 408913 268953.1 405173.4 244524.9 379916.9 245215 315837.6 204490.9 322390 400330.2 275840.6 479457.7 304927.4 246362.4 233174.7 541963.4 259829.2 453119.3 328936.4 277507 235312.2 525727 369649.3 234005.9 316306.3 234133.7 416335.7 431927.9 384184.1 251515.9 258583.1 281742.3 309421.7 425521.4 537403.6 280512 326472 308231.1 422483.1 400026.9 292201.9 385910.5 384411.3 280172.7 214089.7 116360.6 219645.2 232347.8 333653.3 734743.8 460263.3 301050.2 225954.6 254409.1 303035 345137.6 380652.7 376550.3 298079.5 209654.9 435591.8 459908.2 252987.2 343090 309732.2 383695.3 400688.8 438950.5 381718.8 441190 489808.7 396274 369355.5 506393.2 576476.7 1181285 817550 374899.8 491747.6 536101.7 333309.1 425999.5 362294.9 239397.3 381028.7 466609.8 210827.7 648532.9 294107.3 329149.6 386292.3 332727.8 275287.4 261968.9 355302.8 357404.3 339778.6 306184.8 295075.5 133236.5 327478.2 181781.8 249241.2 267028.7 160392.1 251185 657946.6 311597.6 422126.4 360463.7 313261.3 252277.2 Xanthurenic acid 667188.1 527326.8 654671.7 449464.3 350756.2 638867.6 739678.8 513585.5 482962.5 560143.9 432957 802724.4 651972.4 371755.1 384605.9 566089 348124.4 334559.2 422609.6 480586.5 646667.8 640617.2 799192 588101.8 551471.1 622676.6 479187.2 451900.6 620187.7 814818.9 630927.9 384716 531959.5 559864.3 707944.2 639401.6 973139.2 655917.7 490375.5 594384.8 504907.1 737330.1 492073.7 359224.5 600011.1 547012.8 560707 752969 405783.6 639752.4 370100 638156.3 316884.8 528028.6 557233.1 517672.4 562847.5 467269.6 1769704 287732.1 506785.7 523384.1 420091.9 529310 641076.8 546848.5 465989.1 830174.2 725571.2 800388.7 863818.4 993735.1 692658.4 805494.2 1233473 518255.3 485931.5 657408.7 696776.2 769811.6 745031.9 967718.7 481354.7 731482.3 568053.9 568185.9 725600.8 963367.9 648365.1 743100.9 449697.8 688563.6 766214.2 548501.1 676735.6 839338.3 285260.3 571283.2 690179.2 565795.8 380321.9 507024.2 127473 595619.5 617387.9 528521.2 702741.4 679423.2 526883.9 406829.3 818001.3 631421.6 715270.1 Ketoisovaleric acid 3453448 4625160 6422593 4640657 4827478 6224987 5736618 5622261 4918164 4765589 4133705 6090195 5080137 3698388 5508077 4037816 5317155 4889473 5640358 5443633 3888824 5367641 6067244 4848583 4863167 6700767 4425898 4650854 6684060 7137288 5007646 4636098 5002951 4431224 5156951 4477507 2998305 3315609 5372887 3815110 4156688 4605196 5296556 4792192 4341262 2811388 3645474 3066936 2955194 4777924 4527501 4184048 3638729 3193876 3572521 3016966 5168688 4472575 1889874 3190388 4137495 4956361 5936089 5407084 5761009 7215071 6612326 3893029 6087239 4139456 5633552 4330909 4226220 4886631 3986619 4569012 5751373 4021655 4517644 3535542 4892932 4434293 5524947 3936753 4356869 4963408 4712853 7115536 5531387 3947059 4533040 6210617 6295307 3858091 4499743 5239082 4211094 7528659 5974572 3377404 4940738 4414895 5715534 3804409 4393182 3914795 4020379 4306064 4033821 6985681 4696020 4113129 4576042 Cholic acid_2 25326.34 47158.89 207733 57872.94 57428.87 73835.55 129475.7 111704.9 154443 35096.16 320203.9 48573.82 203258.9 80733.92 56504.11 96842.26 54480.47 179382.8 829251.9 205826.6 528411.9 99590.78 67330.48 102673.8 56663.11 54889.88 126504.4 1089927 502225.5 18826.95 37045.06 15212.47 60868.89 55962.77 143952.2 30481.24 46980.84 37620.25 67290.39 110907.6 93638.41 70740.36 79705.39 67412.24 45988.72 73388.53 75007.72 60841.61 31424.78 54342.42 55712.84 12142.34 55464.68 63087.45 26961.42 84597.75 172427.9 84151.38 10876.33 64235.28 16797.62 74680.8 57748.71 7980070 63097.92 168902 39986.83 22563.93 537841.6 136835.1 103762.7 63600.92 445561 77815.6 79284.58 55458.2 73423.6 93120.67 78077.4 421285.7 35106.32 68634.9 302260.5 29685.6 9345.411 79176.39 32256.04 120300.3 31251.58 64217.06 79586.01 101448.3 978602.8 57172.24 89759.92 1229295 43846.71 111768.6 231053.6 389664.2 35280.04 23320.32 149409 61063.1 75005.08 29435.73 93185.57 36038.57 67060.83 90193.89 52224.17 103244.2 69269.25 Pyrogallol sulfate_1 32157.9 139.1631 241.4089 628216.9 102.9279 6948.913 554.0613 3462.615 114.103 34789.12 284.7197 2135.387 446.7833 126725.1 590.859 127386.4 559833.1 9651.909 168426.4 127.2007 2867.615 29007.72 430.1618 10587.93 195.6462 3589.184 2353.693 13754.3 1180.763 9579.138 196188.5 4515.491 100.2541 13315.84 27874.46 3062.211 198010.1 1116.87 39377.03 29307.8 29758.94 266.7187 17845.71 81899.57 27878.66 3522.47 126.5423 754.9074 4987.428 73941.34 58936.44 601274.3 57740.39 450.6854 1013.255 144.5624 261.9618 86218.57 4289.195 44507.83 146.7542 17422.54 210.3112 31431.31 279.1974 73261.77 144.3997 1632.825 445.0911 202.4961 36040.42 121.4658 24413.77 20241.62 105.1715 17453.36 1454.744 226037.3 176.7387 2423.962 5961.238 57.40252 3760.06 6317.629 1352.321 19523.16 17099.83 60.53277 244.3793 38183.94 322062.5 16067.43 19827.32 51751.76 15276.11 126.1476 145028.7 1712.748 255.9673 275.0205 166.8559 233571.1 4809.129 314.0199 174.0355 44138.94 123.9708 25455.06 10726.12 79.66103 228.7787 17432.1 12231.48 3-Indolepropionic acid_2 2520284 558569.7 324365.3 781366 851258.1 4442374 1144282 1237390 378322.4 1448985 785996.9 471080.3 804991.3 2477983 5319630 235845.1 1041438 922805.6 2083337 566727.9 1953719 1040265 697906.4 690312.1 3863850 460491.2 486236.9 1165365 1170662 2643467 310904.4 1143683 958450.1 1790583 891529.8 901488.7 340719.2 93755.07 308660.1 23938.5 40865.38 566119.4 274250.8 345055 601583.3 288319.3 280942.1 792136.6 90182.26 1170650 998693.2 2300893 331026.5 401622.8 528794.7 2378238 1214755 1277781 1503385 566097.1 454257.7 714725.8 576097.3 129501.1 1588251 833479.7 316715.6 1396634 2099586 734449.8 315509.8 413840.1 704812.1 1417965 872256.5 209389.7 5934371 1929775 1334704 248109.9 732448 1163499 1187794 46334.54 1920890 835493.1 1876596 317684.2 1019568 1791332 2932412 930644.6 423581.1 1484106 2382832 840074.3 868759.6 750239.3 510882.5 975208.3 636176.1 2984654 528156.7 1182413 629035.8 624616.1 298531.4 771510.8 912165 628317.4 3435825 1361343 2309870 2,4-Dichloro-5-ethyl-3-methylphenol 10114.28 12118.93 944.8822 13517.34 4422.102 8720.767 3636.906 2663.144 1187.277 48216.7 9328.924 7180.076 645.1396 6119.703 470.9979 272.8758 7194.606 14913.06 4969.876 10930.03 8300.474 8835.282 3085.537 3266.679 764.9403 13195.55 6619.477 6376.475 3805.642 3395.581 1369.459 6232.641 2617.142 1224.608 4649.303 11069.34 1283.896 457.3726 1359.703 4262.315 9480.614 1097.166 1904.984 3012.847 3965.839 2716.327 2495.754 506.0536 500.8669 3970.485 5059.106 7521.433 4217.992 566.6209 609.8047 2255.943 6914.777 4103.391 427.9677 14002.78 1319.767 4058.415 587.5702 3902.1 8207.593 457.2518 1227.455 29128.21 6579.766 1206.7 138.3214 149.453 658.6493 1048.191 100.5921 135.866 148.7709 356.114 63.95322 36.79013 66.29967 13.76649 477.8427 48.51788 4491.724 4071.851 2111.491 136.635 2604.848 2573.111 2943.167 72.6752 1315.677 102.3177 10466.92 1697.16 1996.679 580.2182 416.6853 427.7849 3712.027 932.8623 6192.745 135.187 3072.313 11881.4 1093.089 5581.568 9270.203 3350.441 2348.143 982.4173 365.7133 Oleic acid 1449625 1767736 3027533 1690134 3881742 2429665 2982027 2389837 2857648 1365642 2305367 2729210 1565707 1722427 1926640 2600291 2683922 2151276 1894373 2304860 1750728 3207256 2570753 1605814 1600480 2164350 1624815 2036273 2090735 2707714 1653518 1938570 1335327 2724717 2733493 2363226 3069323 2330363 1602903 2195745 2601088 2050351 1557283 1743271 2754059 1720917 2488588 4773730 3837303 2027540 1957056 2345148 1943156 2911797 2631075 1750211 2542860 1695671 2401674 1176471 3108719 2529905 3133265 1986274 2536473 2816985 2038846 1665798 2107295 2596744 2440531 2363452 1943207 2203517 2160213 1887282 2281196 1614295 2265047 1554252 2344589 3084073 1679499 2019129 2358620 1382324 2097908 2971923 2189965 1941036 2156865 2026630 2660148 1769376 2455387 1854832 1801197 3014659 2501051 2291928 2166619 1617612 1862088 2781059 2134668 2083800 2346239 1698064 2092701 2012570 1658993 2042505 1790693 5.alpha.-Androstan-17.beta.-ol-3-one sulfate 31409.67 61737.32 93359.27 187622.8 31709.61 141184 136517 152000.4 62535.91 79361.03 117084.4 173172.4 234297.4 33004.64 189429.9 136254 78742.72 100907.2 200277.5 112934.8 102232.1 34785.95 12869.98 223744.2 182340.3 76918.57 190939.6 132714.9 72166.68 115476.8 19407.1 39676.09 168013.4 83543.63 150100.4 110741.5 102938.6 23594.27 16740.5 21201.96 25432.85 166895.4 206253.3 21289.29 75565.14 118456.1 24879.44 229206 29312.95 58620.85 133520.4 128867 87963.62 85025.86 130459.3 193065.1 107573.7 161533.5 100741.3 127521.2 82711.74 31020.72 140446.4 26730.65 2463.292 58553.78 14682.68 17268.62 78958.42 28193.03 14550.34 65444.34 31713.65 30958.95 61509.34 109059.4 382920.2 183600.2 255721.5 29903.08 203369.8 119921.6 102177.9 37489.94 23281.02 238150.8 43124.99 70917.45 196384.3 82810.91 163732.6 185996.2 351637.1 70012.54 8732.712 121795.9 224080.7 322059.1 144111.4 83119.65 69415.62 32892.78 93041.88 298031.7 272942.7 86730.12 103582.8 164166.3 132141.5 142680.8 163260.2 92877.06 48098.71 L-alpha-Phosphatidylethanolamine (Soy) 3860.141 31062.11 5504.458 35189.87 116842 19487.44 26526.56 316.5374 105466.3 9414.395 68867.88 70990.36 4137.96 28410.51 14069.84 169257.5 94657.28 58518.18 61224.23 70005.58 72675.02 367318 75364.67 32050.22 22646.52 21122.44 95329.57 124673.4 1017.768 375053.1 2997.751 310509.9 470165.4 2420.52 3093.631 2297.787 4044.369 1209.192 5983.452 1714.176 3889.061 2355.143 2268.159 5121.059 11126.86 1458.748 1527.105 2556.194 2352.969 3603.983 2511.072 2627.084 1796.865 11776.39 959.2419 4493.247 1417.627 2145.115 7440.58 4897.711 28746.47 3682.378 28677.96 434740.6 9997.094 99225.63 5370.88 188489.3 3649.437 75627.86 1525165 2635.103 27431.97 19264.99 6568.129 69925.98 2153.731 100933.1 225494 165147.5 32148.09 281196.4 247026.7 332593.5 909484.2 79808.1 454919.6 697867.3 38541.5 79387.08 525506.8 116366.5 32634.84 50940.43 14842.42 12051.35 34211.27 55493.02 31220.15 56895.31 120522.8 16060.87 89050.48 101172.2 76868.7 112229.2 231904.2 109223.5 171321.6 188520.3 132704.8 75040.05 7075.936 Hexadecanedioic acid, 3,3,14,14-tetramethyl- 5965.349 6198.82 2941.153 14084.51 4180.894 8783.776 11544.46 6775.969 6944.882 12158.33 24745.59 10332.61 6044.784 8230.713 7887.76 4344.675 5010.657 5193.856 7265.699 4801.889 6688.305 3978.485 4559.476 7330.878 5034.478 6451.084 7996.705 7144.346 1765.537 9764.762 1228.542 6735.004 17900.04 3997.409 3618.464 4490.937 4468.273 586.1764 1686.747 4365.272 5246.307 7015.87 3098.276 5130.154 3486.905 4946.933 2991.507 8925.368 4967.75 3468.459 1943.046 2404.502 7916.9 7739.042 2304.134 2938.044 2917.756 3934.788 3942.533 4372.173 113.1738 3680.742 141.8362 6903.075 3332.178 1701.701 19851.51 13569.09 18532.77 10273.36 3878.774 12729.93 11453.83 9800.866 12837.82 11331.34 53652.94 10594.91 11538.93 17331.08 6805.028 9495.703 11900.73 10334.59 8726.874 6112.809 4432.922 7306.381 28954.84 13242.06 5257.366 3289.774 8732.638 8315.174 2611.852 13327.29 3668.115 7930.365 10292.77 25219.74 7746.673 2161.028 7844.505 10804.57 13158.43 8274.462 10064.21 15313.92 2145.958 4908.193 13514.49 1015.768 3452.986 Pyrogallol sulfate_2 6321.245 1604.104 150.5561 8899.183 25.18502 1200.563 1028.936 264.2709 13.53264 45914.31 10.75665 458.8653 1801.854 79.07499 76.99971 266.5781 12251.43 1833.051 832.7336 8.752146 9405.279 15408.05 86.00968 2120.23 36.67 925.5631 2094.112 4529.701 110.943 544.5181 25614.58 364.2933 37.27923 28172.34 57408.01 19729.6 12917.39 472.9716 56033.04 103904.8 172783.2 985.7799 56571.68 1520.356 111030.2 3539.128 594.5747 850.7133 14181.21 3104.013 157753.3 15219.61 350419.7 360.6109 1079.452 1392.021 3954.143 15426.98 802.0705 29332.29 10.04368 833.0176 2.427658 56290.73 284.6614 17.52219 7.795967 2183.257 133.2888 5.462135 11.86769 9.143388 561.8511 70686.47 14.78478 276724.7 17.41311 340767.5 17.24596 426683.8 3566.828 27.76623 889.0269 76273.05 71.00388 94.50258 100.8687 46.2341 3903.239 35.78311 5375.005 137.7281 81.15035 45.35042 83312.26 0.7089945 4889.509 98.94442 12.35877 255.7144 9357.816 44496.4 21058.04 80.02032 37.02855 3546.242 7160.877 71358.06 9905.456 23.31656 2627.305 2234.097 43222.08 3-(2,5-Dimethoxyphenyl)propanoic acid 8362.465 11670.16 14792.36 83394.1 4154.077 1451757 12042.82 5409.288 5447.751 6015.378 49983.25 80317.16 8230.396 52740.12 21683.84 7513.318 136139.3 14810.67 18947.84 146031.1 43099.31 6581.895 2793.857 13839.81 41074.69 7411.976 10556.16 8942.123 5509.965 300384.4 42357.68 63850.59 50247.15 14536.24 17550.73 12927.21 25563.95 8435.487 35976.16 2874.323 8626.17 15190.89 17454.42 18346.13 20772.41 13966.39 49149.15 25246.86 3955.49 22536.65 7962.482 691830.3 38071.51 39526.74 37425.26 14329.31 10542.49 11295 14202.66 55912.04 6154.622 34425.92 20891.89 7761.957 12864.07 6848.174 14639.83 16489.11 4779.468 23722.24 7602.201 17876.65 48272.91 37417.23 1831.554 11387.54 18517.73 112707.7 10033.19 5270.676 6984.886 19951.77 105910.2 7207.294 8638.845 3677.437 22174.87 13427.11 5320.765 11469.39 447479.8 3415.191 9633.679 8962.552 2663.93 11196.45 26809.99 19490.86 6056.779 6379.009 37069.13 1039.403 2215171 29678.01 25246.15 19678.66 20654.29 5892.296 2406.799 29336.81 551706.8 6080.234 792268.1 Naproxen 27097.02 21930.42 24156.91 27623.43 22923.22 25211.45 29297.15 23223.32 26053.39 29087.47 24172.97 26588.59 22264.4 25729.02 26902.41 27110.39 22929.51 22934.7 24125.67 20499.59 25431.58 28741.55 26081.14 30194.29 26395.48 23245.03 23814.09 25709 17631.67 19638.41 20435.07 23295.6 17653.71 14652.15 10984.33 13874.35 19029.73 13128.53 15284.02 13267.37 62241.62 661438.7 14108.62 16257.81 19349.6 19398.62 14639.66 19091.41 15311.84 20423.49 17556.53 17387.36 16332.21 18598.09 16891.2 20210.38 19666.16 20478.31 32660.08 24304.96 920634.8 24868.88 31550.91 11879.99 1182760 14153.63 14029.56 11415.23 11088.35 16573.72 9138.115 14224.53 12153.28 10243.58 557235.1 11724.32 13407.42 24353.14 10479.74 10869.92 161770.6 13436.54 15989.84 15464.45 13263.54 10589.56 16937.38 13355.1 12465.29 16588.71 15044.66 10145.72 12509.4 8658.114 18101.17 10908.33 11410.37 13715.35 15832.25 828348.8 73556 14163.11 12862.63 1799250 23790.83 118728.5 17453.91 19930.56 18785.3 8501.818 19722.01 13136.35 15206.01 Ursodeoxycholic acid 59154.94 39343.51 215113.7 103827.9 61264.6 74425.42 127279.3 112392.2 138478.1 138432.8 140140.5 163724.2 151035.2 63472.73 64270.64 125542.9 49368.44 179726.3 139461.6 102269.1 69802.5 43978.3 70771.67 135179.5 72241.99 181599.2 103450.2 133968.3 43799.93 30477.5 6657.332 140363.4 74142.64 281932.7 277390.9 172156.2 191953.1 76336.84 107678.6 164172.7 359809 177737.9 125960 145542.3 289253.9 539661.6 426598.8 99544.17 169086.2 255283.1 128707.1 105201.5 453105 216041.5 426894.8 135433.2 311480.8 245416.5 289970.1 413802.1 100663.4 174054.8 112623.5 395674.5 162434.1 160939.7 116157.8 54615.24 100078 45976.32 64532.02 131973.9 154684.4 40724.36 119668.5 166681.3 62427.63 110108.4 94500.44 349256.1 133303.2 140217.1 174083.9 111421.2 63253.85 99590.24 35563.32 186607.4 78076.48 144328.6 53354.75 44550.37 103046.6 105146.2 54269.53 148795 73292.84 141404.8 67740.73 257201.6 179151.7 61383.69 116330.1 77097.45 115783.4 201284.1 196629.1 82027.15 117833.5 94306.83 57303.64 27753.99 64912.74 3-Hydroxyhexadecanoic acid 246646 224905.9 240464.2 231136.8 265367.5 247667.4 279187.7 204251.3 229224.4 238405.8 242868.5 253154.4 213574.5 246193.9 216202.9 237886.3 250934.4 172629.5 201927.4 231858.2 242046 283908.3 234169.3 205881.8 251150.3 240434.9 237435.1 221669.1 165435.3 180199.3 171465 265161 230922.4 52503.88 46290.11 53566.51 50816.45 25952.39 28697.81 45456.43 47386.43 37663.17 30198.64 36111.25 42121.92 41370.77 42663.75 45371.29 49459.03 39877.22 27788.55 34162.48 32021.83 44779.19 39383.71 42289.34 42783.87 37690.12 53892.28 31197.36 27363.18 48428.67 28953.46 302647.9 223753.8 181171.9 232698.7 252873.7 196800.8 588288.7 247255.3 279983 243486.4 218630.6 165591.3 146669.6 241808.7 206559.8 267798.6 229704.1 213596.2 257159.4 202459.2 298815.8 287154 212778.2 201505.4 266265.9 253490.7 273343.5 231810.7 163574.1 247281.4 252224.1 195465.1 299260.2 242407.5 252041.1 302888.2 269434.2 288503.4 172479.2 200853.2 275441.9 295517.1 218389.2 269441.1 254493.1 187264.8 254270.6 269628 164028 168964 4-Hydroxybenzenesulfonic acid 427083.8 414925.4 96678.35 1376778 214765.3 500596.8 555353.1 573785.9 166624.7 255038.6 371216.3 895065 590226.7 318800 314350.7 523142.1 199319.5 798018.4 248937.3 183111.9 481754.7 416689.1 473436.8 760606.5 198852.6 607850.3 1050031 430358.9 473163.6 449918.3 807650.8 530263.3 277285.4 250879.4 211760.5 133978.6 46215.77 149513.9 41251.66 485880.8 95608.4 17156.57 36727.12 46715.58 73443.51 27485.66 46225.61 70926.29 68663.21 36293.34 85865.93 62508.46 245260.5 167589.2 75497.35 104617.4 94471.97 36332.86 88501.11 428825.3 104948.6 156488 121117.2 91562.6 92298.47 45576.77 379507.7 56532.95 57443.6 77036.55 87841.41 44414.64 39412.16 48409.76 143299.5 592127.2 148619.9 307948.8 56707.05 346410.5 725459.9 128034.4 108185.7 116762.4 58446.17 439137.3 153231.1 31889.48 88358.27 60916.03 133284.7 63485.1 83692.4 75571.32 33370.48 202691.3 595125.6 127247.3 84097.23 148564.3 230423.3 89978.1 75027.18 56120.64 222742.6 350150.7 427257.1 89360.05 369525 95690.99 124492.9 107859.5 35979.51 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG.ID Compound Glucose C00221 7.80_120.0432n 15-Hydroperoxy-5Z,8Z,11Z,13E-eicosatetraenoic acid C02165|C05356|C04685|C00959|C05965|C05966|C14808|C14810|C14812|C14813|C14820|C14823|C14781|C04853|C05356 |C04686 0.95_168.1137n Uridine C00299 3.64_244.0702n Monastrol_1 C00284 11.81_292.0916n Butein NA 5.46_272.0696n cis-Pinonic acid NA 0.94_184.1102n 16-Phenoxytetranorprostaglandin E2 NA 0.94_432.1833n 12-Ketolithocholic acid NA 0.96_408.2887n 4-Hydroxybenzaldehyde C00633 2.16_140.0476n 3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid NA 3.79_240.1008n Rhamnose NA 4.85_164.0688n Indoleacrylic acid NA 5.47_187.0640n Glycochenodeoxycholic acid 3-glucuronide C03033 7.76_312.6737n Uric acid_1 C00366 8.36_336.0576n Malonic acid_1 C00383 8.52_104.0111n Quinic acid_1 C06746 8.90_132.0425n Sucrose C00089 9.04_342.1169n Threonic acid_1 C01620 9.77_136.0375n Glutamic acid C00025 10.58_147.0538n Nitrilotriacetic acid NA 10.97_191.0434n Monastrol_2 C00284 11.12_292.0915n sn-Glycero-3-phosphate C00093 11.21_136.0374n Beta-Citryl-glutamic acid NA 12.34_321.0703n Dehydroascorbic acid_1 C00417 10.42_174.0173n Mesaconic acid C01732 9.76_174.0172n Sorbose NA 9.69_180.0637n Myo-inositol NA 9.09_180.0637n Taurine_1 C00245 8.99_250.0298n Ribose C00259 8.75_150.0530n Uric acid_2 C00366 8.35_298.0173n Pro-Gly NA 7.76_172.0856n Glucosamine 6-sulfate C04132 7.11_241.0288n D-Tryptophan C00078 6.85_204.0905n 16,16-Dimethylprostaglandin A1 NA 0.96_364.2624n 5-Acetylamino-6-amino-3-methyluracil C16366 1.67_216.0862n 9-Hydroperoxy-10E,12Z,15Z-octadecatrienoic acid_1 NA 0.97_309.2081m/z 2-Naphthalenesulfonic acid NA 1.00_207.0125m/z 2-Aminophenyl sulfate NA 1.04_188.0027m/z Testosterone sulfate C04555 1.06_367.1593m/z Octadecadienoic acid C01595 1.12_279.2336m/z 3-Dehydrocholic acid NA 1.30_405.2662m/z Ethyl sulfate C05123 1.47_124.9916m/z Fumaric acid C01384 1.91_115.0039m/z Ethyl dodecanoate NA 2.03_227.2024m/z Undecylic acid C17715 2.20_185.1550m/z Cholic acid_1 NA 2.24_407.2813m/z 8-Amino-7-oxononanoic acid NA 2.25_186.1139m/z alpha-Cyano-4-hydroxycinnamic acid NA 2.74_188.0390m/z 2-Hydroxy-3-methylbutyric acid NA 2.80_117.0560m/z Creatinine_1 C00791 2.85_112.0519m/z 3-Hydroxyanthranilic acid C00632 2.86_152.0297m/z Hypoxanthine C00262 3.36_135.0316m/z Parabanic acid NA 4.41_112.9995m/z Xanthine C00385 4.52_151.0265m/z PE 36:2_1 NA 4.52_802.5676m/z PC P-40:7_1 NA 4.56_814.5638m/z PE 36:2_2 NA 4.61_724.5295m/z PE 38:6 NA 4.67_762.5109m/z Cys-Pro or Pro-Cys NA 4.70_217.0656m/z PE 36:2_3 NA 4.72_742.5410m/z Hydroxybutyric acid C01088 4.85_103.0403m/z PC P-40:7_2 NA 4.98_814.5651m/z Isoguvacine C00450 5.50_126.0563m/z Homocysteinesulfinic acid NA 5.52_166.0183m/z PI 34:2 NA 5.52_833.5222m/z LPE 18:1/0:0 NA 5.54_478.2953m/z Arg-Gly-Asp NA 5.56_345.1562m/z 3R-Hydroxybutyric acid C01089 5.81_103.0402m/z Diethylphosphate C06608 5.83_153.0309m/z Hydroxyphenyllactic acid C03672 5.94_181.0512m/z Fructose_1 C02336 6.01_201.0384m/z Pantothenic acid_1 C00864 6.12_218.1038m/z LPE 20:2 NA 6.27_504.3110m/z Allantoin C01551 6.28_157.0370m/z Fructose_2 C02336 6.35_201.0385m/z Phenylalanine C00079 6.39_164.0721m/z Glycochenodeoxycholic acid 3-sulfate NA 6.50_528.2651m/z Kynurenine C00328 6.52_207.0779m/z Isoleucine C00407|C00123 6.52_130.0876m/z Dopamine 3-O-sulfate C13690 6.78_232.0289m/z Amobarbital C07536 7.00_225.1249m/z sn-Glycero-3-phosphoethanolamine C01233 7.24_214.0492m/z Mannitol C00794|C00392 7.49_181.0721m/z Cysteine C00097 7.57_120.0126m/z Chenodeoxycholic acid 24-acyl-.beta.-D-glucuronide C03033 7.63_567.3192m/z 2-Thiopheneacrylic acid NA 7.82_152.9962m/z Tyrosine_1 C00082 8.04_180.0669m/z 3,4'-Isopropylidenediphenol NA 8.07_227.1043m/z Pyruvic acid NA 8.10_87.0137m/z Phytosphingosine 1-phosphate C06124 8.10_378.2424m/z Glutaric acid C00489 8.12_131.0294m/z N-Acetylhistidine C02997 8.24_196.0732m/z Acetylcarnosine NA 8.42_267.1104m/z Glyoxylic acid C00048 8.53_72.9917m/z Proline C00148 8.56_114.0562m/z N-epsilon-acetyl-L-lysine C02727 8.61_187.1092m/z 1-Methylhistidine C01152 8.79_168.0781m/z gamma-glutamyl-L-isoleucine |gamma-glutamyl-L-leucine NA 9.04_259.1305m/z o-Succinylhomoserine NA 9.21_200.0545m/z Creatinine_2 C00791 9.36_112.0519m/z Citramalic acid_1 NA 9.42_147.0302m/z N-Methyl-L-threonine NA 9.46_132.0669m/z Glucuronic acid C00191 9.79_193.0356m/z Serine C00065 10.12_104.0355m/z N(2)-Acetyllysine NA 10.30_187.1092m/z Gluconic acid C00257 10.40_195.0513m/z Citrulline C00327 10.41_174.0886m/z Pinosylvin NA 10.45_211.0705m/z Glutathione NA 10.46_306.0773m/z O-Desmethylmycophenolic acid NA 10.66_305.0998m/z gamma-Glutamylthreonine_1 NA 10.74_247.0940m/z 3-Hydroxybiphenyl NA 10.80_169.0622m/z 3-Methylhistidine C01152 10.82_168.0782m/z 3'-Hydroxyflavone NA 10.82_237.0497m/z Glu-Asp NA 10.99_261.0734m/z gamma-Glutamylglutamine C05283 11.19_274.1053m/z Ser-Asp NA 11.50_219.0626m/z Dehydroascorbic acid_2 C00158 11.50_173.0094m/z Aspartic acid_1 C00049 11.55_132.0305m/z Lysine C00047 16.60_145.0986m/z Ne-Methyl-Lysine C02728 16.95_159.1142m/z Ornithine_1 C00077 16.88_131.0829m/z Arginine C00062 15.75_173.1046m/z Ornithine_2 C00077 15.74_131.0829m/z Homoarginine C01924 15.00_187.1203m/z Aspartic acid_2 C00049 12.34_132.0305m/z D-Malic acid C00497 11.72_133.0145m/z Thiosulfic acid NA 11.66_112.9375m/z Glucaric acid C00818 11.65_209.0307m/z gamma-Glutamylthreonine_2 NA 11.23_247.0941m/z Aspartic acid_3 C00049 11.21_132.0305m/z N(6)-Methyllysine NA 11.13_159.1142m/z Malic acid C00149 10.82_115.0039m/z Phenyl glucuronide NA 10.66_269.0634m/z Threonic acid_2 C01620 10.65_135.0302m/z 2-Furoic acid C01546 10.42_111.0090m/z Ornithine_3 NA 10.41_131.0829m/z sn-Glycero-3-phosphocholine C00670 10.40_256.0921m/z Glycine_1 C00037 10.12_74.0233m/z Malonic acid_2 NA 9.96_140.9635m/z 2-Oxoadipic acid C00322 9.94_141.0172m/z Citramalic acid_2 NA 9.78_147.0300m/z Quinic acid_2 C06746 9.76_191.0564m/z 2-amino-3-methanesulfinylpropanoic acid NA 9.42_150.0234m/z Glycine_2 C00037 9.22_74.0234m/z Threonic acid_3 NA 9.09_135.0302m/z Taurine_2 C00245 8.99_124.0076m/z Methionine sulfone NA 8.59_180.0339m/z Tyrosine_2 C00082 8.57_180.0668m/z Glyceric acid C00258 8.42_105.0195m/z 2-Aminobutyric acid C02261 8.40_102.0562m/z Uric acid_3 C00366 8.36_167.0214m/z N-3,4-Tridhydroxybenzamide NA 8.36_168.0245m/z Orotidine C01103 8.29_287.0528m/z Quinic acid_3 C06746 8.15_191.0565m/z 1,2,4-Trihydroxybenzene NA 7.81_125.0247m/z Glycolic acid_1 NA 7.64_75.0065m/z Betaine C00183 7.59_116.0720m/z Dimethylglycine C01026 7.18_102.0562m/z Cys-Gly or Gly-Cys C01419 6.82_177.0343m/z 1-Oleoyl-L-.alpha.-lysophosphatidic acid NA 6.78_457.2369m/z 1-Methyluric acid C16359 6.78_181.0371m/z Pantothenic acid_2 C00864 6.69_218.1037m/z cis-4-Hydroxyproline C01157 6.63_130.0513m/z 1-(9Z,12Z-Octadecadienoyl-2-hydroxy-sn-glycero-3-phosphocholine C04230 6.26_578.3484m/z 2-Hydroxyethanesulfonate C05123 6.05_124.9916m/z N-Acetylgalactosaminitol NA 5.88_222.0987m/z Arabitol | Xylitol C01904 5.88_151.0615m/z Pseudouridine C02067 5.83_243.0627m/z Bis(p-nitrophenyl)phosphate C03779 5.67_338.9996m/z Inosine C00294 5.45_267.0741m/z Phthalimide NA 5.17_146.0283m/z PE P-36:2 NA 4.67_726.5471m/z 1,3-Dimethyluric acid NA 4.61_195.0523m/z PE P-36:4 NA 4.59_722.5160m/z PE P-38:4 NA 4.59_750.5474m/z PE P-38:5 NA 4.56_748.5318m/z PE P-40:6 NA 4.52_774.5472m/z Dodecanedioic acid C02678 4.23_229.1449m/z Glycolic acid_2 C00160 4.10_75.0065m/z Allocholic acid NA 4.03_407.2811m/z Uracil C00106 3.65_111.0202m/z Oxypurinol C07599 3.45_151.0265m/z 3-Methyl-4-pentenoic acid NA 2.85_113.0552m/z Sebacic acid C08277 2.63_201.1136m/z N-Acetylcysteine C06809 2.59_162.0232m/z Glu-Asn NA 2.54_260.0933m/z Indoxyl sulfate NA 2.50_212.0028m/z Tetradecanedioic acid C11002 2.42_257.1764m/z 3-Indolepropionic acid_1 NA 2.22_188.0721m/z 9-Hydroperoxy-10E,12Z,15Z-octadecatrienoic acid_2 NA 2.16_309.2082m/z 3-Cyclopentene-1-octanoic acid, 2-(3-hydroxy-1-penten-1-yl)-5-oxo- NA 2.11_307.1922m/z Paracetamol sulfate NA 1.91_230.0133m/z Phenyllactic acid NA 1.90_165.0560m/z Xanthurenic acid C02470 1.82_204.0339m/z Ketoisovaleric acid C00141 1.67_115.0403m/z Cholic acid_2 NA 1.65_407.2812m/z Pyrogallol sulfate_1 NA 1.64_204.9815m/z 3-Indolepropionic acid_2 NA 1.41_188.0721m/z 2,4-Dichloro-5-ethyl-3-methylphenol NA 1.13_203.0023m/z Oleic acid C00712 1.13_281.2493m/z 5.alpha.-Androstan-17.beta.-ol-3-one sulfate NA 1.07_369.1751m/z L-alpha-Phosphatidylethanolamine (Soy) NA 1.05_714.5108m/z Hexadecanedioic acid, 3,3,14,14-tetramethyl- NA 1.00_341.2703m/z Pyrogallol sulfate_2 NA 0.98_204.9816m/z 3-(2,5-Dimethoxyphenyl)propanoic acid NA 0.96_209.0823m/z Naproxen C01517 0.95_229.0876m/z Ursodeoxycholic acid C17660|C17646|C02528|C04483|C17662|C15515|C07880|C17661|C04483 0.95_391.2864m/z 3-Hydroxyhexadecanoic acid NA 0.95_271.2284m/z 4-Hydroxybenzenesulfonic acid C12849 0.95_172.9916m/z METABOLITES_END #END