#METABOLOMICS WORKBENCH flyzyn_20170115_163458 DATATRACK_ID:821 STUDY_ID:ST000568 ANALYSIS_ID:AN000875 PROJECT_ID:PR000416 VERSION 1 CREATED_ON March 7, 2017, 10:38 pm #PROJECT PR:PROJECT_TITLE Metabolomic study on a schizophrenia and type 2 diabetes susceptibility gene PR:PROJECT_TITLE Nos1AP-rs12742393 PR:PROJECT_SUMMARY comprehensive serum metabolomic analysis in healthy subjects with different PR:PROJECT_SUMMARY genotypes of rs12742393 (n=49 for AA, AC, and CC, respectively) using gas PR:PROJECT_SUMMARY chromatography–time-of-flight mass spectrometry and ultra-performance liquid PR:PROJECT_SUMMARY chromatography quadruple time-of-flight mass spectrometry. PR:INSTITUTE Shanghai Jiao Tong University Affiliated Sixth People’s Hospital PR:LAST_NAME Zhang PR:FIRST_NAME Yinan PR:ADDRESS 600 Yishan Road PR:EMAIL zhyn@sjtu.edu.cn PR:PHONE 18616691438 #STUDY ST:STUDY_TITLE Metabolomic study on a schizophrenia and type 2 diabetes susceptibility gene ST:STUDY_SUMMARY a comprehensive serum metabolomic analysis in healthy subjects with different ST:STUDY_SUMMARY genotypes of rs12742393 (n=49 for AA, AC, and CC, respectively) using gas ST:STUDY_SUMMARY chromatography–time-of-flight mass spectrometry and ultra-performance liquid ST:STUDY_SUMMARY chromatography quadruple time-of-flight mass spectrometry. ST:INSTITUTE Shanghai Jiao Tong University Affiliated Sixth People’s Hospital ST:LAST_NAME Zhang ST:FIRST_NAME Yinan ST:ADDRESS 600 Yishan Road ST:EMAIL zhyn@sjtu.edu.cn ST:PHONE 86-21-24056374 ST:STUDY_COMMENTS NOS1AP variant rs12742394 #SUBJECT SU:SUBJECT_TYPE serum SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - X231_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X232_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X233_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X234_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X235_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X236_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X237_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X238_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X239_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X240_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X241_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X242_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X243_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X244_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X245_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X246_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X247_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X248_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X249_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X250_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X251_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X252_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X253_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X254_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X255_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X256_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X257_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X258_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X259_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X260_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X261_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X262_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X263_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X264_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X265_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X266_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X267_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X268_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X269_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X270_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X271_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X272_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X273_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X274_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X275_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X276_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X277_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X278_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X279_1 Genotype:AA SUBJECT_SAMPLE_FACTORS - X280_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X281_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X282_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X283_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X284_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X285_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X286_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X287_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X288_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X289_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X290_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X291_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X292_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X293_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X294_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X295_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X296_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X297_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X298_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X299_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X300_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X301_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X302_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X303_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X304_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X305_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X306_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X307_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X308_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X309_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X310_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X311_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X312_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X313_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X314_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X315_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X316_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X317_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X318_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X319_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X320_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X321_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X322_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X323_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X324_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X325_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X326_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X327_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X328_1 Genotype:AC SUBJECT_SAMPLE_FACTORS - X182_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X183_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X184_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X185_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X186_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X187_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X188_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X189_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X190_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X191_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X192_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X193_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X194_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X195_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X196_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X197_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X198_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X199_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X200_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X201_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X202_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X203_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X204_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X205_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X206_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X207_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X208_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X209_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X210_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X211_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X212_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X213_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X214_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X215_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X216_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X217_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X218_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X219_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X220_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X221_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X222_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X223_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X224_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X225_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X226_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X227_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X228_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X229_1 Genotype:CC SUBJECT_SAMPLE_FACTORS - X230_1 Genotype:CC #COLLECTION CO:COLLECTION_SUMMARY A total of 147 healthy subjects with normal glucose tolerance were included in CO:COLLECTION_SUMMARY this study, including 49 subjects of CC homozygotes, 49 subjects of AC CO:COLLECTION_SUMMARY heterozygotes, and 49 subjects of AA homozygotes. All subjects included in this CO:COLLECTION_SUMMARY study for the metabolomic analysis were matched for age, sex, body mass index CO:COLLECTION_SUMMARY (BMI). Serum samples were collected after 8h fasting and stored at −80 °C CO:COLLECTION_SUMMARY until analysis. Pooled quality control (QC) samples were prepared by mixing all CO:COLLECTION_SUMMARY serum samples from every participant (20 μL each) and then analyzed. #TREATMENT TR:TREATMENT_SUMMARY Serum samples were collected after 8h fasting and stored at −80 °C until TR:TREATMENT_SUMMARY analysis. Pooled quality control (QC) samples were prepared by mixing all serum TR:TREATMENT_SUMMARY samples from every participant (20 μL each) and then analyzed. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Sample preparation and analysis by GC-TOFMS: Samples were derivatized and SP:SAMPLEPREP_SUMMARY subsequently analyzed by GC-TOFMS following our previously published protocols SP:SAMPLEPREP_SUMMARY with minor modifications (Qiu, Cai, Su, Chen, Zheng, Xu, Ni et al. 2009). SP:SAMPLEPREP_SUMMARY Briefly, a 100 μL aliquot of serum sample was extracted with 300 μL of SP:SAMPLEPREP_SUMMARY methanol: chloroform (3:1) and vortexed for 30 s. After keeping the extract for SP:SAMPLEPREP_SUMMARY 10 min at -20 °C, the samples were centrifuged at 12,000 rpm for 10 min. An SP:SAMPLEPREP_SUMMARY aliquot of the 300 μL supernatant was transferred to a glass sampling vial, and SP:SAMPLEPREP_SUMMARY was spiked with one internal standards (10 μL L-4-chlorophenylalanine in water, SP:SAMPLEPREP_SUMMARY 0.3 mg/mL) to vacuum dry at room temperature. The residue was derivatized using SP:SAMPLEPREP_SUMMARY a two-step procedure. First, 80 μL methoxyamine (15 mg/mL in pyridine,) was SP:SAMPLEPREP_SUMMARY added to the vial and kept at 30 °C for 90 min, second, 80 μL BSTFA (1%TMCS) SP:SAMPLEPREP_SUMMARY was added and kept at 70°C for 60 min. Each 1 μL aliquot of the derivatized SP:SAMPLEPREP_SUMMARY solution was injected in spitless mode into an Agilent 6890N GC coupled with a SP:SAMPLEPREP_SUMMARY Pegasus HT TOFMS (Leco Corp., St. Joseph, MI, USA). The samples were run in the SP:SAMPLEPREP_SUMMARY order of AA-AC-CC, alternately, to minimize systematic analytical deviations. SP:SAMPLEPREP_SUMMARY One QC sample and one blank vial were run after each 10 test serum samples. SP:SAMPLEPREP_SUMMARY Separation was achieved on a DB-5MS capillary column (30 m × 250 µm I.D., SP:SAMPLEPREP_SUMMARY 0.25-µm film thickness; (5%-phenyl)-methylpolysiloxane bonded and cross linked; SP:SAMPLEPREP_SUMMARY Agilent J&W Scientific, Folsom, CA, USA) with helium as the carrier gas at a SP:SAMPLEPREP_SUMMARY constant flow rate of 1.0 mL/min. The temperature of injection, transfer SP:SAMPLEPREP_SUMMARY interface, and ion source was set to 270 °C, 270 °C, and 220 °C, SP:SAMPLEPREP_SUMMARY respectively. The GC temperature programming was set to 2 min isothermal heating SP:SAMPLEPREP_SUMMARY at 80 °C, followed by 10 °C/min oven temperature ramps to 180 °C, 6 °C/min SP:SAMPLEPREP_SUMMARY to 230 °C, and 40 °C/min to 295 °C, and a final 8 min maintenance at 295 °C. SP:SAMPLEPREP_SUMMARY Electron impact ionization (70 eV) at full scan mode (m/z 30-600) was used, with SP:SAMPLEPREP_SUMMARY an acquisition rate of 20 spectra/sec in the TOFMS setting. Sample preparation SP:SAMPLEPREP_SUMMARY and analysis by UPLC-QTOFMS: Sample preparation and analysis with UPLC-QTOF-MS SP:SAMPLEPREP_SUMMARY was performed according to our published report with minor modifications (Qiu, SP:SAMPLEPREP_SUMMARY Cai, Su, Chen, Zheng, Xu, Ni et al. 2009). An aliquot of 40 μL serum was spiked SP:SAMPLEPREP_SUMMARY with 20 μL of internal standard (L-4-chlorophenylalanine in water, 30 μg/mL), SP:SAMPLEPREP_SUMMARY and extracted with 500 μL of acetonitrile and methanol (9:1) respectively. SP:SAMPLEPREP_SUMMARY After vortexing for 2 min, the mixture was kept at -20°C for 10 min, and then SP:SAMPLEPREP_SUMMARY centrifuged at 12,000 rpm for 20 min. The supernatant was transferred into the SP:SAMPLEPREP_SUMMARY sampling vial pending UPLC-QTOFMS (Waters Corp., Milford, MA, USA) analysis. All SP:SAMPLEPREP_SUMMARY the samples were kept at 4°C before injection. An aliquot of 5 µL filtrate was SP:SAMPLEPREP_SUMMARY injected at an order of AA-AC-CC, alternately, into a 100 mm×2.1mm, 1.7μm BEH SP:SAMPLEPREP_SUMMARY C18 column (Waters Corp., Milford, MA, USA) held at 40°C using an UPLC system SP:SAMPLEPREP_SUMMARY (Waters Corp., Milford, MA, USA). One QC sample and one blank vial were run SP:SAMPLEPREP_SUMMARY after each 10 serum samples. The column was eluted with a linear gradient of SP:SAMPLEPREP_SUMMARY 1-20% B over 0-1 min, 20-70% B over 1-3 min, 70-85% B over 3-8 min, 85-100% B SP:SAMPLEPREP_SUMMARY over 8-9 min, the fluent was held at 100% B for 1 min. For electrospray positive SP:SAMPLEPREP_SUMMARY ion mode (ES+) analysis, mobile phase was water with 0.1% formic acid, B was SP:SAMPLEPREP_SUMMARY acetonitrile with 0.1% formic acid, while A with water and B with acetonitrile SP:SAMPLEPREP_SUMMARY for negative ion mode (ES-) analysis. The flow rate was 0.4 mL/min. All the SP:SAMPLEPREP_SUMMARY samples were kept at 4 °C during the analysis. The mass spectrometric data were SP:SAMPLEPREP_SUMMARY collected using a Waters Q-TOF Premier (Waters Corp., Milford, MA, USA) equipped SP:SAMPLEPREP_SUMMARY with an electrospray source operating in either ES+ or ES-. The source SP:SAMPLEPREP_SUMMARY temperature was set at 120°C with a cone gas flow of 50 L/h, a desolvation gas SP:SAMPLEPREP_SUMMARY temperature of 350°C with a desolvation gas flow of 650 L/h. In the case of SP:SAMPLEPREP_SUMMARY positive and negative ion mode, the capillary voltage was set to 3.2 kV and 3 SP:SAMPLEPREP_SUMMARY kV, and the cone voltage of 35 V and 50 V, respectively. Centroid data were SP:SAMPLEPREP_SUMMARY collected from 50 to 1000 m/z with a scan time of 0.3 s and interscan delay of SP:SAMPLEPREP_SUMMARY 0.02 s over a 9.5 min analysis time. MassLynx software (Waters Corp., Milford, SP:SAMPLEPREP_SUMMARY MA, USA) was used for system controlling and data acquisition. Leucine SP:SAMPLEPREP_SUMMARY enkephalin was used as the lock mass (m/z 556.2771 in ES+ and 554.2615 in ES-) SP:SAMPLEPREP_SUMMARY at a concentration of 100 ng/mL and a flow rate of 0.02 mL/min for all analyses. SP:SAMPLEPREP_SUMMARY The samples were run in the order of AA-AC-CC, alternately, to minimize SP:SAMPLEPREP_SUMMARY systematic analytical deviations. One QC sample and one blank vial were run SP:SAMPLEPREP_SUMMARY after each ten serum test samples. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters CH:COLUMN_NAME Waters Acquity BEH C18 (100 x 2mm, 1.7um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Waters MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak height MS_METABOLITE_DATA_START Samples X182_1 X183_1 X184_1 X185_1 X186_1 X187_1 X188_1 X189_1 X190_1 X191_1 X192_1 X193_1 X194_1 X195_1 X196_1 X197_1 X198_1 X199_1 X200_1 X201_1 X202_1 X203_1 X204_1 X205_1 X206_1 X207_1 X208_1 X209_1 X210_1 X211_1 X212_1 X213_1 X214_1 X215_1 X216_1 X217_1 X218_1 X219_1 X220_1 X221_1 X222_1 X223_1 X224_1 X225_1 X226_1 X227_1 X228_1 X229_1 X230_1 X231_1 X232_1 X233_1 X234_1 X235_1 X236_1 X237_1 X238_1 X239_1 X240_1 X241_1 X242_1 X243_1 X244_1 X245_1 X246_1 X247_1 X248_1 X249_1 X250_1 X251_1 X252_1 X253_1 X254_1 X255_1 X256_1 X257_1 X258_1 X259_1 X260_1 X261_1 X262_1 X263_1 X264_1 X265_1 X266_1 X267_1 X268_1 X269_1 X270_1 X271_1 X272_1 X273_1 X274_1 X275_1 X276_1 X277_1 X278_1 X279_1 X280_1 X281_1 X282_1 X283_1 X284_1 X285_1 X286_1 X287_1 X288_1 X289_1 X290_1 X291_1 X292_1 X293_1 X294_1 X295_1 X296_1 X297_1 X298_1 X299_1 X300_1 X301_1 X302_1 X303_1 X304_1 X305_1 X306_1 X307_1 X308_1 X309_1 X310_1 X311_1 X312_1 X313_1 X314_1 X315_1 X316_1 X317_1 X318_1 X319_1 X320_1 X321_1 X322_1 X323_1 X324_1 X325_1 X326_1 X327_1 X328_1 Factors Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:CC Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AA Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC Genotype:AC (S)-2-hydroxy-isocaproic acid 870.607728 367.531941 792.9739884 483.0093177 499.4337335 876.6486657 457.830123 955.7112033 488.2339289 791.3770354 792.0397501 769.2777181 725.8159314 758.4308417 969.1912895 556.2236335 791.8310892 790.7801508 676.1067316 615.8187529 427.7301936 565.8626499 677.9919425 664.6390915 840.9831031 713.4060603 529.6071874 610.2220972 888.6618589 695.6181914 830.0182105 800.3958206 687.7231319 1182.236914 841.3530536 719.0742042 557.170214 568.2818621 766.5442996 730.4740349 704.959653 418.2013962 684.7703983 1033.854178 896.0031878 925.8688588 484.290415 703.7168338 611.5661766 819.5384976 461.7147986 809.868847 625.4414475 932.2243047 938.3757879 964.4995021 862.8154693 652.5148437 854.1024655 1204.207069 1068.340077 896.9955449 984.5267934 680.3172942 1076.352371 1056.01088 922.9534389 699.2139223 588.0033762 544.1369025 866.6107089 1226.275718 1010.124943 895.2259799 1203.475488 843.6623021 952.127218 1023.312805 976.2298685 800.0838017 959.7756575 1030.456852 1110.182949 932.1648012 909.4365083 1061.396834 1186.154001 1084.327205 963.3040732 1433.95456 1305.669857 956.1886063 1431.124736 1426.389064 1746.122809 1229.701222 1537.000744 1556.078262 1517.89806 1275.075385 1742.682491 1219.210056 1627.691558 1511.975265 2476.041438 1390.51042 1259.647314 1428.05857 1716.80615 1552.680809 1672.373553 1694.613603 1672.823724 1586.536175 1927.893835 1358.342022 1716.763449 1894.694227 1632.575165 1715.236221 1782.325451 2147.661653 1661.134938 1573.089191 1786.495235 1502.672687 1842.574818 1716.751523 2030.359687 1878.420063 1469.347285 1673.883674 1833.135033 1600.240613 1661.629937 1405.570876 1413.561827 1901.687936 1885.574871 1386.804533 1410.821502 1764.864433 1453.25526 1485.668496 1679.125551 1941.014269 1653.413603 1-methyluric acid 185.2949779 108.6556523 108.8140795 43.58355283 45.17695468 87.38647301 102.3413463 115.6289804 104.5230972 70.53586585 101.82088 117.6381496 195.6210145 8.523462561 306.305771 204.8204703 322.8074096 264.1172806 118.8973172 276.9637131 600.594646 443.5967528 351.7025592 201.5966725 160.3384795 226.4989239 261.8834567 561.8089123 236.9225972 288.0262164 225.9565413 149.4635312 311.8254753 304.3857049 372.585267 490.7062705 149.5993487 169.4330138 258.8200407 510.1183926 325.8035744 522.195185 176.9197983 184.2041935 247.2387014 411.2289873 201.6148051 213.3628413 667.3373598 302.3574082 192.4899941 340.0269966 175.8951586 272.6039239 383.3479764 530.2119558 397.4596134 273.3413869 397.0582066 154.2969659 366.2457231 145.2105811 409.4065785 456.8602349 324.0887383 273.6054615 206.9873948 312.4078535 380.4554568 461.1346934 810.5730694 795.0886261 155.3451501 377.1813399 224.2006368 259.7722308 241.3414399 288.1525865 316.9225948 339.8640291 457.6477551 209.2717794 452.8906553 389.1046757 227.6346868 390.3815523 285.2872003 212.9336171 325.8114011 526.2298798 377.7673135 332.9421828 369.7065735 219.359011 268.6936771 193.3386654 554.8836958 927.7056398 171.3674793 330.9655465 137.7795998 304.2246829 283.7126969 488.8931045 378.3742465 277.2706985 349.9522146 364.1166286 264.4361904 686.3015587 217.3837026 277.4355895 692.6974407 167.7095149 225.6435547 98.20940926 243.7101837 244.6550895 219.6918862 446.4639191 1337.561217 509.4212011 259.7701532 489.2707355 375.4102396 359.4824976 359.947939 495.0069955 752.0178599 447.0204287 698.7403447 572.8803867 627.7180602 422.5074818 609.8430821 568.0710423 390.3291677 490.581607 327.6118184 516.0795185 491.3957221 474.5111248 288.7751541 377.611416 658.1623607 217.0862847 524.0222847 2,5-dihydroxybenzoic acid 64.91671051 107.7880386 133.567342 64.02546429 327.6765594 80.00704279 100.0369243 204.1897562 0.549264623 333.7080165 429.9337836 138.0360133 199.5033781 276.2021811 118.5817135 176.4248289 250.2826001 140.8551461 119.3392663 396.9153256 153.1613516 497.7685794 97.60198175 39.35941891 173.5636896 84.87869664 256.4868506 143.2170918 164.0717219 237.128934 132.3286668 168.0656977 117.3716464 198.4864791 105.7994567 181.4027479 485.1710778 269.0264973 93.09573437 1.8149923 123.3861357 96.01390107 169.3515607 191.1409688 142.2454426 107.7265601 85.39662841 97.39740389 232.7988322 93.18730655 282.4886153 272.9336496 282.0694347 135.8270481 91.94825675 403.7663277 278.3976749 696.2858815 29.25785347 192.3965299 133.0510174 938.6032345 132.1983127 220.8539738 194.1928886 24.3304812 274.9238808 312.4656954 186.7651955 175.9335659 271.8132954 133.7029519 160.086467 136.5369807 169.0971204 159.6890851 90.88785717 70.46910564 100.4227718 326.2665764 82.06919556 151.8954799 258.4400366 86.70231294 165.3499747 93.78510438 93.68086208 102.6731298 247.2769498 161.2137681 76.31820571 122.4099729 184.9949045 34.21172551 145.4726606 161.7918848 198.8427623 334.8919176 134.1676886 104.8978275 285.6536262 285.5229113 92.70926603 174.604793 247.7218349 237.4836119 439.911082 171.8191291 145.558894 143.5471105 244.3022107 289.4987998 96.42023193 619.0743985 308.0169573 147.3375146 223.3279347 89.60971149 215.7831584 186.1933688 162.6585582 155.92247 117.9726604 177.2888638 152.6963414 83.65472367 506.5253788 122.3628424 191.9981294 102.1383701 189.0062389 145.5723045 243.2003361 161.3677682 150.8176533 267.1103363 55.35735004 117.5740884 232.2658936 175.954243 146.7168274 196.4386873 207.8131454 35.06294779 699.2626663 201.1236007 228.1724211 2,6-di-tert-butyl-4-methylphenol 1266.193692 578.1109661 2592.89652 1760.924241 1080.002854 991.2762057 1909.812327 631.6642096 1864.320764 1720.566721 598.5253383 955.0291842 930.1766628 1117.231147 1784.269229 1382.294831 2063.515882 854.006 799.5072549 1525.919826 1465.651025 1365.989946 1247.472812 1575.829866 755.1232209 1495.324855 1861.956095 1447.141949 2486.450273 914.2247154 981.7641731 788.3969219 1091.847091 956.4341799 1812.714355 1931.081868 1160.014406 2537.144426 1178.590466 1657.255218 2052.508322 2385.157993 1062.37281 2446.220413 1266.200391 1210.043644 1382.035212 1307.112804 3610.813906 1064.444652 796.0393009 1561.038325 1745.626598 1411.131876 1405.172167 1585.545288 1957.222158 1703.318961 1970.340667 1349.34184 1412.463764 1115.201083 474.2941795 1067.644764 1221.036971 2008.479727 1538.026742 2153.896926 1206.962563 1168.957266 985.1981629 1139.818175 991.7738249 1657.916394 1137.240641 1123.706108 2678.306154 1393.854948 1241.607842 1404.495356 1305.718423 3148.05799 832.5619282 1067.957066 1439.416232 1455.013232 492.9136477 1021.340408 2818.849137 1059.239937 1161.052774 1169.952095 1763.710148 990.4719247 1839.334238 1724.862581 2604.693658 1894.8918 1600.193878 1156.643487 1789.327373 1339.722425 1136.926903 714.7272684 2285.682435 817.5927013 3068.438797 2072.517127 703.3441536 1421.397411 626.0107433 2405.130099 572.7201622 1099.286361 738.648574 1888.978423 1135.280957 1056.359991 1198.370287 767.1273388 1419.145629 2204.190833 1238.624223 544.6282073 909.5041321 493.9770551 1098.872332 927.4068346 1360.548517 2779.642453 1188.470247 1984.05635 1332.631145 2038.032491 1218.442082 2145.509325 776.3885308 749.1134021 1547.554801 694.7675813 1236.775946 1940.055212 1386.721814 2601.769626 1850.203631 485.5513419 555.6924843 23-nordeoxycholic acid 539.5890996 835.1977895 274.4883528 128.4426768 345.4288914 505.6287455 126.7359903 642.7425723 292.2152706 708.7979007 281.3611544 1109.918809 809.4798155 382.9821432 770.5273309 198.079021 3242.209053 877.4734795 1245.905508 320.9754264 356.2512183 194.4537004 900.4754292 1197.379739 325.7790327 90.21393559 590.5329784 1051.504668 758.1698655 713.1825213 1032.446813 259.4105269 308.3152908 313.3744458 185.5813663 2963.917367 405.8337856 253.2000761 266.4374539 575.6161241 1842.304444 224.8413145 228.5550819 361.544502 908.2042968 349.5960512 882.9941604 86.95452723 204.6837227 552.0315823 210.3326403 326.4937315 649.4048702 128.0990179 303.896819 1808.780698 107.6353434 734.8690454 631.7722647 192.3841524 596.5247126 1102.8728 471.7726479 317.4066003 129.815262 104.9798314 354.6008379 614.3055924 359.5954271 8916.969788 83.61197055 448.7642697 827.83626 556.6445113 441.1560246 42.08645589 223.5908107 227.928123 817.9994316 97.90822309 862.7056706 118.7036592 393.7488256 486.8564568 538.4576726 236.4461758 262.2166317 367.3750309 251.0740069 645.3897953 2986.666174 377.3756473 388.0467205 179.6066121 698.469395 207.7496148 1019.363027 190.4611354 106.9756768 622.8358746 571.4400612 1158.120389 917.7353762 216.9227564 1163.951999 535.2645792 122.7926779 185.2296902 760.9155236 696.8353535 602.4112211 587.3994616 277.7161077 561.1698113 525.3574176 2075.072044 379.9851559 259.0326156 169.6187027 914.2743214 601.5732449 1954.251456 865.6369441 468.1127073 385.2573821 915.6746196 571.7865442 760.6269195 236.1708913 249.7860065 245.8047848 247.7953957 778.636734 531.8641555 577.5217972 460.3886598 582.6415594 2206.456797 413.3541045 285.3065135 3287.44536 816.8474704 1240.534257 1010.77047 567.691303 977.0906359 183.3067033 2-hydroxy-3-methylbutyric acid 528.5206741 693.9189701 1387.470831 877.4829519 1199.116521 813.4346585 1203.148883 1528.980034 1145.580019 1466.088017 1173.149447 980.8898563 886.3643275 1379.055991 1836.621442 5226.049907 886.6194557 882.4836629 1473.925516 9497.929356 558.4225362 2334.737046 983.1340039 860.9267959 1165.412747 1146.489999 1896.880159 855.1878176 1024.062783 1081.354537 797.5697635 1067.251365 3168.25201 1075.93736 728.9070713 810.7327936 1092.54672 888.0163119 1001.986148 2054.830443 965.4842576 940.9999814 1038.748131 1184.226654 4938.233956 1127.412685 546.0695883 1373.57572 1349.576695 1357.852686 1643.323828 6369.089368 2893.625436 1593.459823 1018.801753 2860.957952 1692.957588 16517.83345 1038.407988 1202.848832 4829.336699 1914.472364 1261.794288 1000.238867 2680.542571 1504.701861 997.4842784 1027.188839 1498.972428 1528.810063 1145.297381 1342.359855 1256.4119 968.0078808 1188.37682 1142.612497 1195.032206 1002.8858 1210.949356 1224.622464 1370.799205 836.3507658 1093.198059 1151.113927 1452.706861 937.6947552 1109.197847 2502.124685 1405.383923 2416.973324 1011.154345 1282.099232 3116.745434 1418.765626 779.3640381 4503.791047 897.7012788 1024.426332 1155.101247 739.5141948 1684.743268 1039.86284 1116.735709 1925.004977 2170.449301 2535.773163 3350.557166 1957.632212 1168.582024 1423.562529 1729.356669 1055.499201 2195.071278 1094.334976 1028.807265 2237.161673 920.2633954 587.3851484 1184.822293 1688.604109 985.8122595 1239.249276 1654.403898 1240.212226 1366.970743 1902.526395 2888.729762 1553.81075 1207.677106 1157.632841 1291.717179 1224.67501 1479.78989 989.4060477 2295.024605 1773.903956 872.0034319 3011.731631 867.1439041 853.8567186 1069.142238 1063.849607 1528.00562 1765.887444 4044.511006 1236.194964 1817.331987 2-methyl-4-pentenoic acid 4877.702718 4823.012859 5145.087365 5169.952922 5909.369044 5283.813529 4440.473614 5396.926914 4627.485869 5695.001008 4560.317598 5785.001042 5488.236151 5454.974224 4877.459931 4789.44709 4542.856547 5475.532149 5691.297911 5489.006459 5262.319021 5615.823772 5569.014863 4937.034091 4527.116789 5395.118265 5329.617845 4740.360871 4625.149973 5205.010546 5475.387246 5222.671628 5788.351123 5334.854433 6070.448614 5921.724511 5582.203796 5196.284195 6315.491279 5365.803118 5606.251605 5599.16001 5914.285207 5711.187244 6028.704536 5965.772326 5468.093589 5925.855471 5910.993341 6560.397222 5244.508752 6061.150729 6097.212771 6895.695846 6220.662073 6413.744005 6194.680409 6199.587784 5784.07058 5856.586562 6335.266337 6253.207223 7159.243299 7902.030952 6748.349908 5827.794542 6507.126587 6134.94928 5939.01698 6805.725976 6147.977114 6439.665426 4915.209244 6470.064435 5576.351609 6120.648351 6032.664691 6826.210211 6471.562643 4958.270837 6889.18377 6110.227264 6409.789789 6398.430071 6342.193966 7987.43054 5730.75112 6527.151169 6061.877536 6803.796482 7349.127694 5629.412852 5982.816476 6538.760839 5753.867 5813.812285 6668.047492 6240.12002 6291.533295 5826.896298 5899.170134 6522.266273 4921.131475 5387.637471 6190.365403 5644.611184 5523.743501 5997.937223 5698.585959 5159.115607 5221.572241 5112.663785 5595.460404 5267.87441 5817.154581 5852.616375 5979.778406 5901.163945 5496.09228 6299.366191 6106.334718 6709.275622 5803.50494 6271.330821 5348.23203 5563.954136 5896.996579 6257.774509 6446.989385 5373.300305 4706.871772 5040.086039 6339.493271 5175.846217 5681.939028 5796.418487 4750.889257 6380.35472 5746.753908 5121.535645 6057.588174 5615.888849 5682.448702 6592.849933 6164.505194 5286.580031 5754.26866 2'-o-methyladenosine 32.97930109 12.50767538 202.8662218 93.79826649 76.79570158 64.49800547 48.316072 171.1429383 113.4016884 61.55569813 214.7127009 66.01279132 129.1746625 9.285023793 47.00428391 189.7855285 68.36495624 43.73766587 6.723675513 67.93262816 49.12868518 75.33313694 127.5877785 47.50269202 75.17882402 92.92179729 88.02362438 147.366313 20.41802469 34.04044751 32.18535625 61.55685595 299.5632605 42.76052343 154.6973371 102.6725157 113.9210735 458.0075974 38.70399493 53.75132958 29.04964195 88.82642619 58.2482369 137.0088081 99.38523172 173.4107065 30.00237274 52.86756336 36.95137281 258.5196655 77.07952367 211.1088534 117.6842538 71.93711338 146.1950512 182.5570881 47.70247288 94.87038796 45.95659505 207.4637931 224.7164321 73.14854979 43.99507236 218.0690337 25.12443268 38.89558773 96.99426605 27.25649867 218.3493442 14.31011764 214.3506313 47.51647898 303.4569997 25.32937209 167.518201 96.91310827 162.2186438 178.6327552 146.8796318 102.0773559 105.9194243 73.26465396 78.69083197 65.36377864 143.7784553 17.85514941 131.9956748 106.444703 141.9738121 135.7652497 60.00310707 113.190667 122.0207576 186.5868398 120.2250023 128.4288662 27.28055386 86.17996433 57.19660048 20.00223732 300.0998873 104.3889245 61.2453654 110.8360378 3.836454691 51.61516559 240.8686627 92.88347518 111.6613216 437.2402719 87.10217487 212.9650311 103.3299305 259.2725458 99.31909814 51.9440768 320.5079477 125.2332541 168.0163549 155.7174818 56.31593165 289.4439997 36.28815663 162.8660781 142.1864888 57.38009752 66.35179062 51.27720324 228.5682837 151.3687357 108.7700552 91.70801646 116.9699333 139.0277836 159.0182789 212.6281108 93.67800201 160.44061 3,4-dehydro-proline 15.31124492 112.3530512 120.7606056 137.3782781 241.9810939 216.1570277 96.00889454 107.0422204 197.4373251 154.1805446 151.3913748 169.2458698 222.3876847 87.00960541 228.7557199 174.7018899 206.933927 16.24682804 116.650362 29.65625505 48.56887059 107.5897395 63.53493511 95.07395641 2.782529883 171.6478422 171.2261028 36.37779033 67.09796991 21.00164413 230.1211445 138.4353401 184.965652 180.721448 10.32641805 216.2453423 852.0381816 64.54913607 214.9233615 259.6346014 70.8793523 163.6535843 216.517461 266.2198453 123.8364929 26.42273943 108.3842323 92.72807664 64.83384507 90.16435498 31.81961677 117.1648373 54.07248208 46.06648126 30.95332162 178.772968 11.74839165 1.512088328 387.8666784 255.1830864 0.150366058 39.57149212 190.1168635 343.6402435 143.8978894 213.2784176 253.0859007 135.3197546 23.00290298 3.269212698 266.6345177 224.7366096 126.6319523 65.28407005 131.8273795 45.00656977 308.6599049 236.6967229 72.6701166 103.816052 210.2274268 87.42757639 108.6951176 25.00238991 7.531135814 131.2282108 35.99493415 62.37098633 236.7057558 21.90410554 4.538383047 276.6364782 7.510439424 25.0767312 35.8712742 152.5481219 162.0333487 101.5456867 130.8578443 116.6868141 1.491127701 184.8805323 95.10883564 6.775270046 4.061854292 113.657589 80.94708214 167.6088163 153.6523561 25.23713182 0.49207043 20.4198513 109.7333791 145.0050241 38.44188459 41.65958807 128.5860378 51.71836759 90.17530184 194.6486869 39.04084839 45.28373595 88.76204843 34.93517574 155.7535073 95.34434154 28.00196457 109.8200349 146.7743824 194.2282639 80.1872453 63.34515894 89.76778365 134.0525495 274.6324152 250.3835275 316.8681525 56.04725463 39.02270453 72.05388236 3-hydroxybutyric acid 17610.96763 12963.0651 23768.63173 11205.38845 16274.13975 11556.89208 12204.36247 12000.89862 22710.11214 15344.1972 15573.82177 22941.59247 17899.84462 21757.4544 25731.35445 13432.80841 14818.38445 13962.2117 17057.60065 10911.2479 18303.59638 19968.48925 14738.70759 16453.86666 37835.67044 13462.96357 21947.48367 17560.67102 17407.38119 26333.61386 16422.58872 11796.23441 10130.01302 19629.33753 15364.90857 9214.476441 12314.09056 11760.82593 19550.92238 17022.65475 12640.76362 16824.10782 21081.25936 17721.16296 12784.44207 15264.95281 18147.72486 13650.28492 11603.97093 9070.982365 15046.21851 13610.96264 13391.59485 13513.98017 28126.872 14721.18689 15412.01143 14616.23074 17170.70771 14980.08834 18387.15414 20038.90349 16893.74604 39617.544 17939.42 14171.01238 9178.227868 14153.66189 16250.03495 12517.44734 26056.70627 25008.74038 21587.47919 6983.463014 14238.81633 20799.18632 11671.45092 13790.37208 15920.11885 12051.64418 12146.2561 31448.9838 14552.65756 12977.8092 14312.92991 11631.92993 23504.31458 15293.0784 14870.92366 15425.11879 20252.90774 11063.3075 12173.61687 11587.71423 20486.70123 11121.33146 16793.12557 12944.96545 19508.25578 11674.38138 18931.59245 18250.27022 15529.79059 12074.16095 24599.69469 20580.85659 24109.54568 12705.32811 9016.715578 13803.94506 9294.939769 16492.7436 7248.802305 18488.22025 14470.88518 10109.12944 13624.37772 16968.93339 13332.73424 21582.81634 12485.18086 25103.70367 13817.14845 13277.79362 21287.64866 12292.13958 12112.75265 14775.61736 19031.20001 16340.50337 12142.46755 14241.48546 10753.82822 10641.56176 15204.80623 19397.27001 12175.36491 19639.56357 10150.4915 14209.97224 11863.16609 9245.339424 13120.88251 20953.54135 11618.7059 20683.12148 15956.57023 3-indoleacetonitrile 430.2199632 588.2264558 354.4234355 628.0423238 255.7181826 550.9970231 585.9629921 568.0742721 787.4882414 796.9656303 568.8551701 560.4452396 689.3479586 395.0218327 428.7238459 740.1401731 843.6101483 458.964723 486.5927658 643.9733838 752.3939719 611.18203 730.8147836 712.8287981 424.1027033 563.7161275 708.9274237 415.301748 717.5666656 723.8257717 785.7028812 437.0331799 504.2523477 260.7768576 749.1010871 504.7801229 689.1837454 1072.183498 622.1147175 750.6738335 552.3799939 335.216691 472.69383 639.4071743 958.196245 468.4856589 526.1747053 538.9569757 925.8799701 436.8723979 533.365581 872.2702521 724.253578 714.3126928 708.6859856 855.0885325 1060.684795 599.1044246 656.6858125 633.9368659 820.6656065 723.8157457 420.2472323 844.8921469 790.9352632 788.34057 774.4516744 1116.404987 424.0666924 518.4082521 533.1925807 758.789709 626.2769906 408.1956826 691.2315634 665.1784894 977.8956899 623.785833 511.5657486 633.5277717 507.3576746 474.1057545 522.9837974 436.2179309 503.1652124 770.2600762 532.7773488 501.0050824 993.5833764 529.7608849 499.9864381 272.7667164 814.8643053 630.0140861 481.4525375 822.3874082 608.9462695 491.2194943 608.5995407 414.7818544 566.770843 530.6382996 604.5939859 409.7639115 636.7412487 742.4298339 526.8875017 820.8040382 382.8327924 600.5655071 587.1125922 756.0703869 746.0278887 589.6737459 299.1265055 862.8320541 418.9330284 562.3382824 353.5245286 1307.039892 739.6462747 300.946256 485.1261718 676.9669628 529.1655699 634.4717498 703.0081206 688.2032956 416.3088825 478.8019084 658.8958433 568.8488759 678.5669405 926.520163 523.224342 809.5275356 398.1610188 649.6982065 620.4364736 355.6869326 653.7505441 867.3542952 721.5703026 990.4677484 596.1968125 433.70121 498.9868738 3-ketocholanic acid 12406.64132 5209.815678 11584.74321 7702.484996 5629.593236 8156.639982 8194.712705 7401.5162 12664.58125 10942.29677 5716.852559 4344.937134 6157.127518 6665.623221 11833.37728 8031.219314 16638.31343 6098.729142 7037.177515 10346.35815 13095.07585 10119.18722 10000.99178 8465.721208 12067.02864 13093.07391 14004.36093 11566.93001 10121.13585 8824.48391 9456.891392 10609.30575 6329.728259 5947.534887 13684.05795 8103.249367 5916.746743 13347.08008 5448.425822 6427.366938 9078.423315 13062.11055 7001.70302 17439.09505 6768.639315 6514.586873 9642.838362 7058.245383 17786.6733 10419.43001 5627.426052 7942.465649 9775.344406 12788.81308 7607.743904 8883.404087 14625.38706 10907.96768 14404.71441 12491.50472 7269.510053 4956.478074 4185.786356 5073.068759 8024.200774 16446.44969 8374.006224 9255.693718 5681.557284 9754.250432 12175.69055 8823.444086 10022.86577 10508.70651 15771.38248 7123.655111 19130.3772 5573.543585 14640.10215 10582.5045 5261.74344 2446.225382 5616.14699 6463.236941 7543.152596 19299.19405 4026.705834 6150.376653 12498.78662 6379.187395 7585.464506 7217.084039 11028.72261 9311.94926 8510.509478 15561.97094 9199.356891 9275.800704 17253.45229 5933.516504 10923.37868 8510.108484 8711.629676 8969.253954 14530.87959 10605.98597 12246.4557 19687.03335 7165.955923 13491.96674 5483.32532 13087.66475 4327.973985 8857.788222 8943.853202 17881.57295 7425.686027 8216.461491 10385.26699 5956.438461 10222.87224 22924.63979 7771.861164 8005.622038 12337.14657 4899.378833 7443.481702 8685.05009 6833.974369 22989.56291 9881.065384 16435.31415 13730.65035 27084.87243 17080.95449 14371.9597 5210.741583 7937.516977 11214.53056 6142.761291 10936.97913 8794.859228 8702.196186 16069.03987 11193.91291 6366.491836 5899.755631 3-methylindole 1645.007083 670.1533135 4117.959388 1547.205103 1128.825093 1809.954154 1304.958258 1091.57657 2391.244408 3087.941939 734.0903971 1434.92483 902.4071147 2377.741816 2338.320818 3026.310664 4937.467771 967.5225207 1505.597358 1704.89464 1894.873536 3460.934037 1885.299248 833.0428822 1579.069145 1218.504141 4014.796511 1822.477636 2008.219813 1875.469812 1914.879861 1031.912495 864.9850844 1718.378241 2424.065798 1389.621916 414.7215549 4980.256697 756.1132869 1552.944017 1746.342101 2763.154145 2038.644105 4192.801599 1251.029492 1352.31194 1539.487961 966.3311247 5366.786786 1611.644579 1411.649188 2085.668206 3031.881693 4092.995083 1020.415216 2581.764015 2881.748319 2726.57025 2901.607623 2951.391714 2519.056457 1651.16945 804.7165877 1162.991396 2673.620353 2872.358276 2149.459249 3445.478458 1062.348011 1906.252061 1203.938877 1328.473845 2204.385938 1111.176846 1634.200361 1021.410564 5022.868068 796.7794258 1749.919964 1181.264701 1330.262623 7059.656915 839.6831527 524.8693336 1666.351195 5278.03647 893.1034551 1559.235237 2904.019361 1559.8222 2202.27829 1028.789198 3463.526364 1430.737089 1682.147358 1704.439418 1832.922528 1589.031076 3125.188712 974.1816109 2810.953966 1292.165448 1147.448405 2139.515562 3083.326865 2083.383089 4760.116648 3748.236401 1548.671918 2657.162617 485.6629411 3267.721534 775.700551 1530.892965 1644.119946 2624.570234 1005.247425 862.9802817 1161.472694 329.1898229 1316.885588 3146.834683 1253.533232 1385.382529 2281.48782 604.2537498 1016.625208 1998.807212 1006.674383 3799.46281 1803.530001 2801.496406 2185.352928 3563.791649 1842.644967 2243.756199 512.2392796 1032.052113 2033.022515 840.1491095 2614.012776 2442.146989 2543.889178 7585.758418 3321.759172 663.2057614 687.0132855 3-methylxanthine 433.7252433 272.4926249 686.1271008 381.0180943 541.8721264 431.4762899 517.2117138 873.4735045 759.3535083 705.3012334 672.4347862 1038.081215 505.2474566 468.650257 683.0837374 2112.832027 613.395781 447.2728664 719.8164721 3060.729325 376.9114688 1285.953595 567.0495698 757.4949109 733.0914246 724.1140349 2188.536165 559.2388029 385.3302475 520.4254746 491.257175 660.3573198 924.5158612 562.1932036 1213.645345 499.654777 245.5617759 1969.948057 278.7014466 528.2317057 604.0120453 1327.970722 362.5750677 745.173773 485.0137919 1787.571157 660.1332811 1128.762281 2604.800769 1113.486545 2302.724974 3247.201823 1931.768452 1291.104385 1781.403457 1347.312922 1004.051394 3850.757523 694.9138879 501.6573832 3551.950288 1473.227842 383.426463 527.7281639 2127.405255 838.8641277 697.8803812 415.201701 495.676978 459.490255 4509.794211 2313.545557 1572.917491 552.2420065 1489.363722 1247.556908 451.1296917 458.8646925 645.3925051 1618.041828 596.7341715 537.8277468 446.1281885 566.9904873 715.2850076 596.7872522 639.6640338 1842.939253 562.2889512 2415.471963 606.1535012 477.0746044 1804.598356 542.5779457 488.4235407 1924.857083 887.5058741 715.5048436 914.5408914 670.886408 821.6822178 1099.243637 685.7012964 1156.746357 1571.467441 1198.140937 1944.758106 9150.025483 650.7182126 636.704004 5442.424019 766.7605416 5831.916226 1015.69454 699.3539129 6448.764206 581.2137283 483.725605 1028.658211 532.5108347 1009.98022 1536.284467 1085.717274 2015.296529 778.8989499 2871.382359 1610.973507 911.6579083 970.8539213 1150.820219 312.9636639 731.8919412 451.8835605 1110.28559 1083.897194 1311.12837 453.4415697 652.2496981 688.850838 404.5162307 595.0031907 615.3857885 759.6776182 829.7107708 859.0295082 956.465463 569.412485 4',5,7-trihydroxyisoflavone 194.5575254 249.1587098 139.7919226 153.1248659 311.1682215 270.2885578 307.4869898 152.181841 219.8729403 214.9863105 240.7846067 204.8365482 288.2274567 97.50267768 272.4568859 1293.118413 188.0952536 1713.726779 322.3049489 174.1292044 112.79642 340.1879866 182.3018995 281.0526316 275.0631884 288.1659378 186.3898266 358.1933107 142.2209401 102.2957415 330.2103079 415.9753055 150.0362123 276.5290043 717.4752943 621.1464226 37.85265348 362.6304727 220.6570322 275.4205099 144.79801 217.5349816 183.6063119 422.3602283 1424.22471 193.4623392 257.223492 67.5785535 907.8723498 126.5226439 303.32724 542.3386483 222.8518738 302.4925282 368.0783078 271.236726 1069.885029 291.8677899 244.1920686 559.0189273 896.9527036 331.6875966 190.3335683 179.7233832 281.1958939 212.5719493 270.4306644 360.1308192 141.0033339 205.9226772 206.9427066 201.0993782 207.1909593 225.8733226 1010.977989 168.9391296 467.1416424 200.4339127 104.5743201 374.2785092 344.2336144 226.4159938 1313.848651 226.6554628 830.5614436 1308.298748 344.1003783 233.8353378 382.5085493 206.8392651 203.7703876 424.297022 417.676279 2029.298225 172.5603755 357.4066041 301.1794025 373.0242444 259.9185979 148.5149435 218.6569185 441.0431681 197.772549 266.7893452 349.8511417 379.383487 814.7052281 408.4353174 180.4720828 158.6256423 257.4145186 254.2610073 229.4951153 182.6976612 549.0865041 1335.835642 249.8911351 660.1604377 326.6982453 226.3499924 924.1455524 347.4120349 556.0852764 261.1798148 411.7260309 439.8798482 303.8512114 501.9452825 444.783194 279.2908611 601.6816977 440.4862794 221.4638858 170.3244213 206.2365806 248.7895879 326.3561956 578.2044523 159.3344544 129.9846802 605.9990165 400.5557105 315.7778275 283.8928047 724.3381566 123.4263593 149.634803 4-aminobutyric acid 4271.499295 4069.685652 11795.73773 5733.230499 7247.182136 7616.525435 6978.8281 6768.865509 14225.15053 10545.56032 4146.140233 7788.708823 6787.168834 9464.890551 8863.666893 14810.67171 8363.106456 4531.757976 6778.25189 4716.03853 5590.81583 7136.462497 4903.048771 7833.576112 4587.819926 5706.878953 8396.355252 6997.298745 6032.988807 6301.667241 4462.987705 4682.786687 3570.281828 4098.076267 7639.604505 5643.893285 5576.498702 13021.23279 3055.713314 6117.783498 6006.995344 4900.365846 3756.879064 6884.825237 8071.889995 3574.885601 6756.207339 6243.778184 10853.58313 6273.714868 9114.422761 8878.707581 10301.0561 6014.259436 4791.265673 6669.118338 12821.29008 10035.83735 8073.298551 10115.42319 7581.334867 6245.797539 5698.289339 7028.076077 10284.9521 12725.9246 6242.088287 8146.772766 3848.185798 7841.172338 6308.41001 7750.485575 7251.474756 4900.364561 6093.194464 5906.439973 10138.09481 5926.349221 6610.880336 7464.507637 6234.182766 10064.27545 4238.701736 5387.017457 4089.307164 7308.026594 11987.0177 5528.305648 8753.883149 7865.957972 6365.350558 6883.261772 5745.021959 11303.93505 8894.610191 8331.099835 9722.861733 7324.28794 10267.70056 6657.302115 11839.6022 6386.2742 6666.30521 10242.4801 7669.661121 10578.89727 11866.09497 13354.74425 8547.389909 13261.92544 6008.327441 12253.74677 5944.490168 8950.192161 11228.88158 10775.91818 5931.857837 6523.319641 9214.166176 5500.26959 10435.94283 9957.95676 8234.815349 6800.656422 6439.308493 6914.790089 8719.482308 4267.42544 6699.302639 8557.303584 7161.400711 7859.352147 8985.456924 9179.547481 5251.253257 8213.245771 6619.602531 4388.840269 11014.02321 5883.956307 11925.4722 8391.061182 10084.05277 11430.75315 8477.658549 4838.256989 6192.1222 4-hydroxybenzaldehyde 18895.64642 17857.99936 20375.71884 19153.80949 19273.65824 18307.14601 19774.17423 19466.76123 19657.86215 19314.30185 17530.32297 17586.71329 18053.55096 17882.21551 20601.65137 17040.6747 18110.01656 19916.26736 18048.20458 18339.77288 18243.97399 15491.73271 18221.10493 17355.13643 16530.61381 15863.74368 17159.2774 15787.62524 17670.20154 15726.8204 16588.1267 15779.49278 17444.08131 21005.47247 17300.56253 19082.03525 15634.52574 16842.14747 15820.43944 15722.72317 15026.88146 16954.07593 15781.68942 16111.25528 16306.26307 16728.87233 12945.62443 15620.66221 18162.57818 15206.63777 15160.25432 17485.26938 15004.85276 22604.07801 14938.46682 15953.67516 18630.68595 15610.64583 15806.28072 14580.93794 15608.92922 14111.21793 15824.55038 15767.38089 15358.34522 17104.32552 16390.26012 15783.97502 15549.30432 14828.38576 15428.7136 14383.28701 13100.91617 13419.91998 14203.3382 14707.61548 18056.79651 13564.07853 15925.04871 14157.10634 26188.28741 29744.90156 20269.59475 15962.94036 15822.26026 16658.17617 17428.25656 15276.15672 15385.78462 14598.09861 16397.62831 15557.4997 15925.16841 14760.90139 15600.3529 16011.63578 15707.92682 14651.65503 15168.50887 13679.21409 13691.98608 14221.87887 14462.32703 14642.73356 17560.00132 14393.16446 13642.93632 15634.25858 13614.6154 14963.18897 14201.49231 14511.19051 14007.46899 13033.63829 12546.22602 15425.8463 14258.36273 12946.1552 16170.40761 18010.94627 14937.88162 17555.26918 13883.81545 23446.96487 24782.7325 14076.46297 12538.40376 14273.8847 14710.6409 15139.15005 12947.37566 14043.26286 14087.5673 16053.19067 14580.78723 14371.70941 13764.2728 12884.03325 13208.38285 14312.31347 14739.27222 13769.90318 14504.05071 16778.51008 15090.09452 13604.62511 14683.44073 4-hydroxy-proline 3393.414916 1550.187312 4771.544912 2315.670266 2512.078498 3879.264981 2486.64147 2642.744025 3200.7647 3282.53135 2075.576394 2855.248106 3338.226996 4908.047711 3977.894326 5123.476629 5116.655481 2563.997224 4018.737431 3353.871899 3072.297939 4096.457419 2183.23619 3277.21975 3183.497883 3173.736009 3211.042111 3621.536068 2424.05363 2161.096915 2163.820675 2654.376157 2553.651967 3420.881261 4840.475775 3898.257931 2434.77767 6290.909686 1449.543226 3344.248934 3365.537393 3407.092809 2824.131568 3290.084126 3307.524519 3174.718055 2565.822041 2353.532211 4687.257561 2574.855342 1575.872839 4511.367946 2151.736776 3475.812442 3198.081961 2858.907588 4292.338646 3745.098392 5208.717904 3502.085642 3353.247282 2366.931587 1785.973388 4885.743361 3976.68979 6182.141912 4140.898133 4319.791057 3622.790504 4080.595598 3711.387462 3341.703942 3087.523161 3125.807844 4250.370337 2358.096275 4764.608454 1692.327644 3367.900433 3469.602635 2907.258934 5117.450242 2836.324945 2258.216648 2575.591376 3313.64861 3053.60716 2694.406021 3383.918237 2518.165936 2388.546011 3442.115145 4322.795351 4116.193287 3803.420752 4289.904661 5064.781597 2432.241561 3083.39477 1569.305667 3978.975434 3542.002019 2215.945677 3512.022027 4235.148569 2975.639571 4368.833928 4539.038027 1289.725977 3868.563405 2664.983228 4539.384773 2777.38123 3695.668764 2723.35872 4810.384266 2757.468918 3045.685267 2969.826952 3037.477791 4226.760653 5029.483989 2732.137827 3458.872578 3033.464199 1692.071279 2021.041541 3394.714181 4162.021277 3318.12707 3797.761688 3557.944379 4963.462324 5004.409211 3290.384593 4544.554817 3303.606472 2451.647413 4189.611367 2227.632235 5051.317693 6283.988071 5478.371651 5635.106457 4197.390807 2457.247474 2672.148242 4-hydroxytolbutamide 895.167755 431.2321062 784.4753652 549.7456585 609.6002676 549.9925282 223774.8282 840.5308258 734.6027552 645.8197094 447.5636002 655.050485 493.3851476 521.5196056 930.3521681 600.2245715 787.6518344 650.6802229 518.8270955 626.3575825 775.9216881 843.5106095 604.4427002 518.4465581 651.4558411 838.4412981 741.4331762 504.4322831 834.4407651 524.0826356 984.7232621 441.8072099 833.6610947 935.3457292 1267.171958 784.8282984 416.3872695 928.3627859 658.7858986 446.8808759 613.9480118 667.1136756 553.0077879 964.0652603 469.915637 767.9776998 496.2438562 558.1720902 1285.84348 654.9430905 679.8115713 631.3882146 595.7263541 1256.574708 555.4150997 650.9505321 972.8070528 803.6485161 786.2606686 568.1026961 932.8005224 928.5903706 783.5196581 510.0605241 770.6630165 1144.550861 9592.25535 659.9394557 645.7402773 769.8760478 679.5839323 509.3582745 577.6163635 649.2725264 808.7254029 470.8302015 1101.545988 486.0696818 550.8334344 622.1340792 761.1879656 1918.203378 807.0369333 328.064217 790.5418903 716.6005554 897.4246997 577.362164 792.4040979 635.6482692 894.8893072 516.7839835 1075.911332 674.8420097 1047.927095 645.607131 673.8197589 715.9607562 914.0176744 533.4833536 824.4715475 928.1810041 638.0375021 805.707741 1653.723318 692.4991934 1048.379724 1156.230661 410.2853811 663.1837037 855.4919694 839.0050092 628.0852667 482.4263738 885.4579466 925.4443437 678.1718929 1179.82699 680.1354095 420.7569827 765.5276534 1165.98285 575.4229506 773.7407962 880.1166672 472.4658102 708.7175028 811.418676 516.4466926 980.3253441 925.032158 952.678751 923.294862 1061.276266 943.9615437 891.7613681 571.2881584 613.861598 748.2937106 1022.254822 748.4700739 882.158935 921.4003682 1485.92124 1043.740302 611.7661927 881.280879 5-aminolevulinic acid 1496.657271 1339.229489 1648.945599 1817.808221 3019.384276 1657.134168 1699.853207 2229.259689 1699.188933 1364.045367 1481.738069 1932.704451 2134.117868 2692.184514 2407.448219 2381.551407 1882.98039 2183.219608 2291.025084 2152.290046 2030.803528 1303.675075 2208.976899 1570.872728 2833.093557 2301.946042 2800.875432 2193.906777 1802.419356 1621.954554 2759.933084 1674.968506 2477.283019 2304.451505 1931.106923 1414.758154 2277.424453 1659.632494 2202.083043 1573.523498 1674.139096 1638.339382 2052.994712 2002.240146 1270.666715 2378.372538 1507.899967 1327.849951 2380.892039 2257.172155 1791.543758 1826.558141 1995.476955 3003.225315 1835.435548 2199.84944 1916.134456 1466.558794 1254.082253 1715.33351 1498.374709 2398.057867 2068.524597 1315.92361 1231.197775 1978.029336 1866.632118 1248.640403 1731.615146 2560.599572 2287.075437 1357.17501 2139.057864 984.0887668 2181.94447 1533.577053 1650.961752 2176.729819 2032.061123 1686.220871 1900.292119 2514.510908 2202.163195 1689.184078 2089.607372 1308.656976 2463.919469 2035.446253 2354.856001 3127.912112 2212.946361 1566.535745 1411.404359 1733.426052 2001.681116 1340.578596 2027.313198 1915.156378 1678.403122 1552.345915 2229.303273 1795.701218 1892.357747 2305.734653 2126.141976 2494.41003 2015.477294 1890.774515 2303.273422 1516.368445 2482.054557 1350.662235 1733.810473 2008.938004 1514.098187 1458.946084 1810.258088 2450.68405 2475.663779 2096.977446 1521.795164 1859.22211 1130.686454 1976.998547 2930.835312 2000.968522 2222.228892 1645.905591 2752.300638 1722.242346 1429.979052 1576.110699 1874.609192 2053.471642 1790.861117 1651.169944 2435.576292 1701.429094 2454.613315 2017.403087 2374.507915 1740.353375 2352.190431 2168.243867 1804.283138 1985.822629 1674.004484 5-hydroxymethylcystein 1946.196711 3244.990617 5270.499442 1838.897514 3113.857936 3272.353548 2608.665759 2299.57322 4650.462701 9722.4667 2703.945311 2340.933502 3497.583337 4797.077172 8497.468931 3865.933046 5234.149206 2813.586768 3819.944196 2630.415124 2800.997656 7535.924029 3043.061693 4818.714266 2658.830391 2932.536973 4102.160564 5655.006325 3626.88925 3387.804234 2629.1682 3326.828358 2015.227591 2615.292444 5477.347185 3825.338683 3226.110778 22099.05203 4560.201213 4673.778409 5081.019271 2384.416301 2497.609552 4212.903653 5411.487772 2536.128904 5194.507502 2337.481311 7048.170136 3216.08603 3366.038516 4115.005568 3942.330555 2823.163097 2865.751642 4036.00135 2627.123119 7077.934391 6883.002907 4320.776632 2993.45882 3258.04692 3176.812632 3902.550019 6215.153082 6585.617783 3651.3692 4545.871298 2734.256485 3872.121264 3017.021316 6007.781715 5501.171745 3731.520509 3228.675541 3435.107981 4045.415874 4905.415824 2921.245909 4028.131929 3001.545587 3901.069772 2129.726609 1628.532706 2019.181023 4261.589061 2577.601869 3221.775942 11119.57093 4094.525733 2903.082615 3281.267275 3445.473997 6207.548678 5443.658584 6820.27425 7479.397145 4302.019806 4445.294609 3506.579456 4249.714406 2898.802563 2994.963408 4605.538207 4735.329325 4984.860032 10240.48648 5928.448673 6318.634321 4548.331129 3642.703555 10089.80088 3922.575923 3887.815345 4663.200057 5121.495201 3631.890206 4095.811694 4375.111608 2630.097828 5112.624909 5568.421272 4536.439989 3797.382417 3773.830368 4041.782704 3853.993008 2393.835875 4644.818469 4127.893466 5269.417477 4698.655472 4328.01445 5258.201117 3275.086939 9863.082689 4527.708758 3225.150606 5481.970594 1963.003906 5784.409778 4888.957883 5969.271695 6360.420223 5636.919298 2334.607087 2152.089947 5-hydroxy-tryptophan 498.4000456 505.5653841 1147.147502 681.8720854 832.0677277 1114.15944 830.1681555 769.3939216 1055.792767 1178.222119 944.0135581 841.5142926 1094.893576 616.0801843 1755.795057 944.6575794 1395.160648 1114.865635 1062.834017 1248.527715 957.0624132 952.3419746 1482.27991 1445.477035 1118.654296 840.7616266 1020.498452 1189.453255 1630.792621 1133.083357 1439.627754 1002.909921 1221.16011 1302.242846 1153.591721 1282.65823 1128.421951 1722.804371 1404.311668 897.1050805 1284.742206 1018.086428 1169.240592 1087.063981 1147.47356 1075.095775 753.3569808 1087.258174 1191.444982 1117.658123 945.9848917 1746.984303 1392.46566 2088.351605 1197.907124 1556.398807 1643.555279 1146.785715 1252.562036 1471.9153 1935.86942 1268.406935 1326.332435 1347.536644 1442.268681 1357.127181 1047.098348 1807.935707 1973.810496 1588.581748 847.2830126 1299.532705 2447.331415 1078.427703 1481.615219 872.2597932 1905.133765 1119.600306 1673.190886 1156.701487 2373.498819 2063.442075 1401.50646 1215.023856 1644.602556 1905.171023 1514.962765 1165.96275 1558.292 1402.741717 2184.300764 1822.503718 2777.855351 2328.944922 2587.098105 2319.803714 2515.331439 2305.859855 2687.580458 2879.55977 2750.473116 2433.477476 2586.174462 2962.933376 3370.09214 2757.61256 2521.517423 2978.415697 2667.001919 3093.132079 2271.08087 3094.183652 3139.793519 2876.395551 2296.798037 3073.012645 2943.944935 2761.386034 3107.074314 2056.648247 2478.858635 3504.027111 2772.478959 2041.80171 2797.813086 2913.110576 2378.483263 2743.479631 2490.056584 2610.902606 2777.398459 2694.150533 2408.24676 3183.366697 3403.288326 2753.585181 2435.940636 2666.124166 2155.55829 2297.688633 2421.035475 2469.696236 3184.811367 3495.964985 2833.866799 1861.088955 2122.699924 5-methoxy-dtryptophan 1018.984576 486.8068877 4289.225251 1208.618547 1577.070398 1014.548688 2259.909713 1064.595575 2263.114211 2089.346416 557.907097 852.21804 1424.770509 866.2854861 2199.01789 1725.689382 2550.90957 868.7413967 938.1816889 1436.07559 1793.670273 2039.189331 1254.530476 2310.018126 1347.568995 1145.168704 1818.56266 1263.839155 3569.667413 1030.197399 1383.150822 1506.578463 1243.409619 2651.699051 2645.852336 1907.681175 876.0118723 2695.302829 1289.151522 1487.694497 2493.616419 2823.431661 1248.11977 2995.566513 1450.74457 1757.632736 1734.345967 1343.607146 4465.418362 1834.655328 1215.022786 2188.924541 1880.619439 4325.354709 1437.079276 2047.776881 4374.77825 2185.403257 3120.983018 1323.826016 2075.299304 1515.785584 718.4491846 1225.531626 1352.158432 3210.361405 1840.226462 1466.002278 1576.875917 1540.732376 678.5540523 1126.724456 1228.641689 2253.942017 2079.608483 1627.493876 3279.2035 1205.792483 2434.610921 1805.685789 1833.808784 4405.282516 1283.480141 1258.101282 1780.475441 2775.383706 1276.210366 864.2529064 2904.141158 1013.688563 2200.178508 1377.006664 2519.488313 1500.34229 1560.935955 2028.14459 3425.972255 1612.195275 2770.584966 1618.395901 2248.639804 1867.429711 1440.932809 1510.480931 3411.121375 1001.839988 3779.939136 2744.034546 523.2995964 1696.933822 881.9155602 2671.799872 486.0524539 1126.302214 1108.654279 2417.503868 1388.090624 937.6534271 2321.420596 729.0679428 2523.209131 3254.691437 1811.698257 2601.652435 3195.393743 644.6032777 429.2885989 1080.662 1250.456868 3659.312306 2447.226277 3053.269291 1678.654334 3489.069318 2458.672309 2082.563079 1352.342389 1295.255689 1466.394896 1144.680361 2003.857673 2260.427277 1932.590487 3095.935556 1870.44593 746.0931314 1744.671847 5-phenylvaleric acid 2154.488917 838.5843279 3732.325401 2621.168796 1570.237102 2660.140815 4071.196379 1280.889557 3034.603981 2830.93834 1130.983946 1716.82478 2388.677083 2309.484291 4456.555257 2670.80125 4209.742324 1161.881669 3301.911429 2262.569883 3051.287478 3790.57057 2387.440413 2100.280841 1554.876982 2410.249927 2978.243521 2088.86315 3141.526 2046.446181 2576.660591 2083.816284 1609.602181 2027.574322 3927.771156 2329.80643 932.4104273 5740.21885 964.5985123 3243.885251 2841.814895 4146.294662 2716.616865 5503.000881 2795.817384 2149.453783 1853.627013 1977.357637 5552.179469 2874.879735 1420.56917 3840.290599 4020.555867 5249.073373 3003.087895 3887.546662 4349.448729 2725.320967 5067.730828 3800.31222 3848.217873 2525.889773 1511.09801 3037.769555 2957.242891 2993.500731 2823.323571 5020.45831 2449.560981 3232.661755 2807.341255 2432.675608 2812.261912 2530.566815 2693.97815 2640.250665 5780.531119 1330.875951 2289.248373 2802.172456 2825.056615 4875.031913 2054.050883 2023.604954 3172.436662 4693.142701 1627.703111 1864.541996 3720.475257 1580.377655 3256.998512 3129.045742 3385.66426 2261.887945 3407.243246 3100.286993 2866.176456 2871.175263 3108.663249 1966.583733 3958.329005 2898.998337 1882.468043 2808.684572 4726.586375 2156.20675 6212.224555 5068.636315 1928.81031 3796.315136 1461.709652 3145.625259 1628.620309 1778.3974 1783.890872 4368.032245 1458.572128 1707.109194 3047.067487 1455.614307 2330.253851 5385.213609 1855.455862 3398.150168 4468.071751 1394.006377 1136.287706 3920.581207 1659.595477 4781.528859 2028.223073 3404.875966 2923.114968 4300.878528 3837.073225 3601.765689 1418.524522 1596.813274 2947.298702 996.3944185 3245.404222 3470.200846 2965.3246 8239.110226 4838.14782 1950.108903 1866.192 6-aminocaproic acid 58488.61726 59731.08841 70289.82369 37815.18604 49516.19371 61956.86193 65011.78087 51009.84878 72796.11696 64328.29796 48458.66827 59308.87224 66197.5114 57624.13564 84473.40678 68954.99786 65445.12006 47955.12685 55161.85723 50151.55802 50929.34577 56978.0804 43598.19824 51741.79265 51918.24468 44004.18904 61760.53204 43845.05227 48598.43221 48922.03723 56770.20097 52832.05588 34991.34046 37793.84126 58919.18586 38051.79014 42371.18969 132612.7385 41752.14699 47479.19332 38764.30329 46789.61264 37086.46793 50070.75718 48649.90348 34798.62528 50346.41533 36134.59743 73149.35926 45966.23472 47065.07606 52645.33923 58737.66805 58178.2531 49917.31747 63190.95845 88766.9371 48038.59555 56494.69417 61453.03281 66242.56337 47397.61067 34799.07806 55514.38777 55630.21138 58500.04444 45394.85968 57865.98546 38421.22954 50361.22653 35719.77624 42911.75343 48312.88429 38910.03095 49097.39599 47762.56083 73089.32958 46704.83791 49689.1847 39024.73832 47581.90042 70174.88862 41850.58236 41142.88793 41820.21856 50169.08055 33240.57548 42551.00487 62872.25339 51240.7466 42396.07574 38710.06306 51781.33463 51846.9127 45907.12317 55643.07538 39889.64501 37651.4219 62432.35367 44728.10915 61996.56533 46334.16152 45944.34192 59943.57768 54742.26679 53334.25419 61576.99182 67219.04258 48594.7402 70709.6153 39992.06946 70396.00224 48556.11935 44743.02544 51522.3642 48457.8167 38507.36184 42334.17566 37718.91423 41047.56224 48941.96081 69093.03381 40935.7359 36999.32212 51469.51202 51816.02549 43539.68924 48812.48614 44371.62549 52037.99287 44980.96033 48509.4766 40892.00875 48623.27506 40438.69657 53448.52278 42865.37109 38792.09851 42922.33698 30477.28726 43974.38563 40497.94653 59454.36895 72716.37651 49868.5481 30392.3053 30053.81714 7-ketolithocholic acid 851.4859375 1420.508211 1225.212623 334.0031527 2047.130649 1370.713982 145.8567754 2590.559415 616.9944223 804.2198979 1292.05116 748.6569799 614.9393871 900.8673956 1842.754907 650.5921608 3034.581897 1921.947586 2217.330301 853.8820237 1374.029059 298.5995065 1648.688727 1469.781874 948.3973535 427.0904049 770.449697 3257.823922 790.4743043 898.2906014 798.5558607 18068.10411 1564.133881 1281.755754 1322.81343 2823.427821 1331.424712 1538.559787 1543.765608 2756.491368 3990.746399 856.8740915 1314.416466 1312.285959 2556.418053 19415.55272 1113.630551 2494.658075 1970.91937 2427.955277 2719.977967 678.1693803 1237.318706 2162.576039 763.5389047 4264.656909 3217.721134 3018.695633 1373.545602 1396.559787 2151.79842 2022.992795 1183.799477 990.4301762 1032.409822 865.5772183 2161.045703 1347.556786 1077.769587 1738.978417 1367.282188 1321.377833 2184.188826 1444.823921 4463.226554 586.5601851 1558.412314 1923.286439 1885.20501 1491.840267 2225.205701 2720.036196 1551.46193 764.56574 1366.506138 1729.450838 2880.082421 1515.301835 1600.838334 1581.618119 2048.793765 1077.328056 880.1484501 1412.825505 2714.000897 2057.210995 2484.688106 784.8811142 2482.062789 885.1028981 1443.365697 2553.640185 930.6097916 677.2026299 1637.323718 1686.063716 2372.411367 2101.677703 1488.457191 2444.020476 807.8433278 1410.39916 703.5246229 894.4051683 1319.427531 2561.675523 1232.06082 860.6680514 1204.734558 1198.917229 2797.162258 6613.231396 745.0916453 817.4773786 983.9672235 1271.262811 817.8851542 860.5525113 1423.337328 2310.060404 1714.915574 2012.487989 1572.207669 1660.819779 2915.739582 1401.688692 2472.987241 3123.627008 1776.231105 2254.796359 2731.598277 1767.231596 2879.498707 6401.234485 1415.665841 1860.760612 2036.394211 7Z,10Z,13Z-hexadecatrienoic acid (7Z,10Z,13Z-C16:3) 3354.128815 3147.118387 4458.806482 2486.630773 7265.950534 2680.24468 3567.396815 2489.95452 2781.850559 4207.934892 2585.558898 9297.952961 4809.652247 1772.429348 11390.6228 3030.646135 4351.090211 6186.20518 3354.873685 1991.135774 4868.734082 2336.769092 2771.680934 3021.567275 5854.967104 3272.347762 3152.161442 1495.929743 3979.945288 3495.238223 4519.083212 2498.516716 5456.911962 7189.314916 5124.717955 2615.37618 3098.935926 4408.638803 4560.949712 5299.117731 3680.154482 3311.706081 4148.142572 5684.52489 2717.41546 3005.300895 2337.881616 3112.905805 3354.726905 984.3549345 3407.972083 4972.31226 3642.089705 4894.612542 6869.274638 3889.489686 1997.529642 4246.628196 4484.002625 4683.121623 9807.211398 4029.737218 2445.671945 4647.393564 2804.58183 1475.784301 3360.778936 5606.397941 6389.402479 4575.087718 4120.515899 2986.872496 2450.390048 1639.087986 5957.028347 3019.331193 3553.889133 5204.76303 2353.69655 1896.588177 3095.922715 3060.323986 3813.049659 2854.304091 8006.195135 2966.329477 5466.314949 2751.218234 4281.583185 4238.92773 9028.223729 4236.868293 3328.750959 3191.882312 4906.469154 4797.735125 3181.982275 2638.729163 3467.869021 3015.552613 6966.627482 4806.016246 4461.030918 4129.056091 9013.026362 3229.485622 11139.17481 3827.706598 3638.05776 6411.329138 3708.068297 3167.837153 3839.289853 3178.035838 3468.95684 3588.317103 3262.8255 2863.859857 3792.574206 4902.475606 2976.442705 3344.963354 2627.809184 1579.933302 4827.766852 1131.32819 6529.376789 3646.050878 2668.279442 5771.716141 1718.881409 3745.298775 3476.944615 2362.354712 4253.956082 3041.577575 3967.42436 3165.15178 3340.395635 3263.388594 6874.58168 2902.256265 3739.697145 7882.703646 4061.324705 4430.709693 4268.869988 acetaminophen 41.86512903 21.9318341 47.39403602 59.10675329 59.84130377 23.31347119 67.42691401 147.8016756 134.3967964 41.73862077 81.18394347 66.2003807 88.37727048 12.00104958 92.35353417 57.83354641 14.82783585 81.26385103 52.70242919 25.01627886 99.04043426 28.0190897 71.99504608 125.1085927 81.37645932 67.38604663 101.70451 52.11828233 31.97957082 43.90493439 26.97267782 15.1317036 5.667850325 243.5174249 30.7138838 158.7957525 53.20822694 34.14272347 37.54538731 21.23787036 18.63327916 440.1964991 77.44111119 81.6664526 95.43140165 325.3256837 26.76229252 39.79496717 37.6119632 47.81355708 28.02774565 120.7348528 43.73764698 314.216234 14.84352812 18.51887788 78.31166712 72.72053506 123.8168836 173.96769 70.40156861 103.2821109 107.1410654 149.8738473 27.70124386 152.7082889 101.0971974 22.95934582 85.99072324 89.91267852 21.11060457 0.812866917 28.21827738 94.92403592 23.7137412 22.99516674 84.93664392 71.64651025 102.154791 57.85739778 50.90452949 99.53628149 82.17987857 38.71335936 2.333397618 89.53057528 91.57186695 154.3827944 94.32297195 84.90080701 100.9648557 148.1192539 140.0244094 29.7708239 106.4087468 61.56020025 69.22583122 156.1721526 118.4454362 21.90458151 137.7497846 74.92388681 98.94975319 152.163302 145.882701 176.1274426 91.64198405 125.1514482 51.89761354 218.4607461 61.56299167 164.1544136 84.33572995 70.80423213 67.96060767 96.50509586 46.49576167 53.46782878 58.42967437 96.90779137 46.44698344 105.552278 73.41665231 143.1045617 167.182422 151.1069107 19.73312168 101.940422 57.73125362 35.14178118 51.18177412 43.16177765 100.432031 124.2035643 62.95317449 46.85308904 74.85527428 52.97682689 234.5343964 133.3958107 41.70123187 45.92425413 34.43513889 120.318184 123.6372033 30.11546339 29.93172069 adenine 1370.793081 1160.057634 1479.186813 1503.818413 992.9652187 1192.66859 1760.958788 1718.957262 1877.75821 1709.476436 1479.050809 1836.238066 1430.236932 2428.117886 1979.432295 2017.553009 1600.433335 2297.021086 1974.020034 2674.015655 3538.213585 2464.117889 3213.220204 2613.144259 2564.313508 2499.091352 3174.0515 2467.18148 2931.333256 2729.634039 2710.554984 2788.899383 2509.33874 2684.841829 3420.627465 3124.822866 2934.435538 2712.079148 2429.140592 2523.926657 2226.988694 2823.053779 3257.848639 3205.026211 3202.143221 3473.605876 2806.281061 4567.770216 3644.031229 6112.323141 3768.031969 2449.878032 4397.664754 3647.072956 3180.075673 4053.414406 4074.211796 4062.280146 3299.015731 6665.879055 6209.000855 3593.584801 4112.391997 4022.488634 3595.223641 2943.32416 3960.770033 3352.958887 3487.747193 3175.985296 3234.493369 3061.888547 4148.616758 3948.375305 4214.127309 4028.627462 4212.239535 3345.066283 4260.077232 3954.947523 3933.651613 2905.960678 5206.786278 3356.379093 4371.09052 4921.699746 4724.362627 4288.543172 4409.547531 3023.825466 2798.580809 2757.606846 4360.136875 14199.7269 3015.182818 3205.803379 3623.892139 3558.280802 18143.112 4567.832434 4251.511984 4362.696798 4988.062429 4745.872162 4364.129507 4504.343094 3041.787985 4662.733298 4709.938707 4247.51921 5000.085773 3568.894591 10156.12926 4593.426319 5690.453939 3162.321301 4196.725357 4748.743478 10479.93698 3579.77342 4865.582492 4440.446543 16410.4955 3774.117059 5407.534205 4648.302597 4771.510677 3933.32981 4136.26839 4824.867736 4248.283536 4536.575636 4415.984411 3803.192308 3888.38341 4818.910225 3478.582616 3827.934436 4369.580489 3877.01268 3862.698455 3434.84103 3240.719848 4690.492444 4264.308959 4101.690497 4341.212104 adrenic acid (cis-7,10,13,16-C22:4) 116434.2083 93368.58323 153918.2672 77764.12327 131255.7502 104990.7022 87270.93673 84916.25665 117848.3052 100368.2094 124895.4036 132343.5094 112129.9702 111860.3996 164099.2478 76678.38921 103418.67 107225.1467 71149.94581 83513.24436 122357.1292 93211.66004 96985.50347 120607.2634 145442.3089 91000.67066 142638.8276 96197.34761 139513.3135 104448.017 106392.5252 111307.0598 76397.28635 176082.4487 178471.187 90036.9933 113580.2988 130707.6318 177733.9222 141673.3706 125023.3304 104105.7246 115738.5354 154199.9433 161055.9139 123502.5457 106745.8468 119589.543 127653.0342 97743.5817 122910.2457 182090.6882 132040.6012 102739.0222 141411.7826 147107.3493 134554.0967 127202.9798 173895.8028 93104.59512 272069.4063 157096.6748 120782.3576 123267.0879 151755.7464 108348.1441 120012.088 112447.4698 148256.869 138666.5738 74009.70156 212096.1611 117955.6857 100498.3472 101685.9442 145509.7516 114812.8732 104465.2067 79918.92215 95056.4289 146984.3236 409254.3641 127964.2644 98401.95827 215115.36 95011.15967 123983.5687 68247.39155 135658.4063 186041.1452 262387.5401 99344.74995 100383.343 110791.4357 137587.1573 158870.0084 142205.6729 111062.0044 159056.4149 108130.0211 207019.4594 148211.2359 125002.8114 129870.9894 191055.2957 106166.34 182220.1033 108418.4796 101786.2747 111640.5141 80677.475 138702.2242 80217.82301 132856.5682 105836.792 127077.2026 104758.6016 88974.9661 151924.3222 154194.3087 126806.676 116633.348 121403.2336 96300.03424 111253.5636 67762.83709 109619.0604 69178.15173 114129.1127 170507.2263 92154.6177 131330.922 79515.32777 83630.09891 83662.99751 103898.8611 88911.75379 99456.36479 129603.2587 128042.4336 116048.1422 66013.86401 66271.68127 96181.87156 83807.37705 109256.0515 154272.4872 allantoin 454.403944 629.3100634 887.6661452 1163.163585 1487.234998 798.0908949 1703.812597 812.8542695 2008.878855 1088.577152 1158.239766 1572.016633 1258.519914 1844.156456 1345.116793 1213.95156 996.3822011 1542.820408 1455.011004 755.8968541 877.5062016 1376.349701 562.386683 1174.424019 2459.353519 1258.44596 685.6494901 904.2778287 1497.33513 697.8204223 1310.515179 1045.034667 1372.500198 2643.842315 1105.71715 1589.977216 1414.301679 1462.349482 883.6718761 994.4060668 925.8326876 1231.640979 945.619025 1237.742487 1409.806171 2770.316712 1183.81079 1131.86259 1420.040952 1587.167054 1506.146294 3086.432763 1550.741147 2838.153658 1576.768559 996.9067057 1842.569871 1707.258159 1745.653441 1310.614032 1238.49984 1569.230274 2252.341045 1503.233579 1257.270478 1254.39098 1908.106362 1379.900645 1530.592015 1448.100525 2048.669094 1416.65888 1288.048309 716.142854 1131.083632 1026.531045 1464.814186 871.6471861 1530.350721 1333.878244 1511.454457 1593.249522 999.3471317 1271.672602 1347.599681 1453.907212 3772.154023 1415.654875 1154.437927 1553.022822 1414.182692 1449.823247 2676.366232 1193.257492 2064.147285 1712.201182 1229.244603 1653.769639 1379.84709 1520.194012 1796.320749 2179.415116 2065.731265 1512.608464 3599.843718 1493.953061 2437.47936 2613.447771 1460.158701 1956.188331 2543.218422 1650.747162 2021.650985 2170.934898 2112.330338 1434.543726 2084.948904 1788.336049 2116.797773 1872.984638 1764.220017 3701.565429 1116.764635 4104.185733 4318.603076 1640.884202 1500.195424 1685.643566 1769.168975 1794.369003 1618.504498 1706.43675 1887.378731 1751.199245 1582.676907 1760.66251 1643.870341 1879.438602 1289.320024 1143.881323 2019.971107 1743.649323 1817.813609 1489.383451 2282.709986 1684.880672 1627.377405 alpha-alanine 1358.191637 959.1059762 2166.18494 1091.148935 1626.925499 1714.339279 1485.987647 1510.020332 1864.689316 1565.285465 1171.11859 1715.221848 1736.86895 1709.867461 2536.954343 2127.990148 1340.003028 1443.931183 1040.388339 1368.622738 1774.812869 1408.775742 1767.551633 1468.18103 2320.209075 1798.968722 1870.239566 1120.41256 1280.745735 1478.799497 2162.83785 1470.585725 2030.546783 1062.329076 1676.730448 1305.159844 1226.639915 2367.213072 1274.128209 1630.356576 1276.258407 1294.827211 1446.053263 1712.284069 965.7589213 1528.985344 1394.021951 1181.336073 2260.044802 928.0548528 955.301372 1283.466024 1313.292126 1899.268847 1542.413313 2051.842487 2090.547936 1378.313968 1045.297572 1570.046344 1284.008897 1207.366895 1023.667299 1334.69914 1442.817306 1398.183966 1751.945114 1163.593286 1076.149116 1558.150298 1328.13839 1517.517301 1281.429628 972.8236867 1810.861807 1379.334777 1645.331351 1382.361519 1622.040399 1325.578718 1687.946302 2935.162936 1382.657152 1535.122465 1555.937676 1032.388487 1899.519672 1923.110729 2182.603556 2028.527559 1898.795683 1711.810723 2426.264503 1442.541912 1977.197662 1059.332885 1718.117925 2173.293498 1581.95088 1033.46421 2099.250804 1399.443996 1081.702871 1543.777066 2038.249394 1912.641195 2332.616706 2048.633334 1170.38728 1737.516854 1361.258017 1459.002566 1368.181385 1480.77284 1018.843235 1773.830832 1672.161854 1488.750952 1475.226772 1082.867288 1564.06191 2326.196815 1095.611592 1548.739343 2609.749961 1330.872345 1413.430817 1374.444855 1909.485427 1925.953497 1769.56108 1847.757288 2563.178928 2504.296548 1244.065762 2187.153128 1473.23607 1263.7038 1961.903968 1662.031644 1921.388265 1985.556877 2370.942489 3091.389195 1859.740483 1495.764641 884.6535698 apocholic acid 1329.577171 2621.407448 1626.559564 1171.706948 1862.25223 3035.787689 391.1355589 2757.862158 1482.19401 1798.7918 3208.204542 612.3577877 1366.501939 1221.099457 2040.841093 1774.881447 5609.395179 501.2221326 1313.250034 2462.036702 1732.315635 703.2246761 1503.36773 2075.357587 546.7783822 372.8630923 1050.120649 2415.590332 993.8381066 1103.103466 315.5917876 445.793638 2140.716693 364.6167013 724.0701925 2096.762339 936.173671 3059.131438 283.8647611 5739.424809 1272.213595 922.3725287 1500.420945 1224.936184 1275.035478 1373.102529 677.9379518 2314.404331 3904.226545 1569.603043 395.4807023 699.8881067 1911.012743 1053.035332 673.8457098 2954.573411 1186.702018 1417.070632 1983.199901 2137.4314 1583.302919 1444.385115 970.4920135 1273.393261 887.5845795 1123.546702 2025.483855 2780.290879 1150.116514 2404.044008 2800.918829 2658.253093 1607.438791 1808.084486 1058.079679 863.7903175 2524.541974 677.2785315 830.3926086 1815.170363 1442.383531 8730.827173 442.429885 1286.920378 438.2041247 1539.937825 949.1616601 851.9390597 988.5980007 2455.755564 1346.344174 1881.460005 1277.612308 355.580752 1490.585586 648.4868665 2502.735815 1489.789495 840.4868298 1134.735631 1008.794032 1287.133362 249.581219 1538.216973 1136.227672 1593.155938 2177.190866 2478.675285 1049.029 1454.251728 478.2479174 747.0441155 2466.320938 1561.838132 1014.660927 866.9835991 497.6496286 360.7420893 3396.506406 1249.772805 1940.154143 1948.489992 600.3641774 1374.264603 1206.822883 692.8430852 540.6228351 2099.135703 980.4991592 5122.70434 1548.479662 3335.592001 2437.627011 3249.233751 1767.318628 2979.023847 845.6643274 1914.369712 2048.128483 3220.008948 1005.383281 1574.15407 1615.881403 3800.43588 2702.800772 1462.88992 154.3259811 arabionse 2.279973602 33.39526304 259.8094929 33.49004595 594.1592283 100.8202712 187.2982408 121.4509835 179.719933 52.33741226 75.44471103 159.0209254 175.6321583 116.1423304 163.8792092 41.26178954 79.8880925 279.3783509 80.91337999 212.3212643 43.57857412 149.764963 3.756592932 763.3689571 79.20037223 260.4289527 131.7503946 354.2065985 41.05311683 138.8431292 137.7977694 162.3641615 507.7679918 137.7528152 33.90893297 71.55526348 227.8289912 55.88139851 148.8278978 29.29307376 113.6216203 126.5516209 358.5147122 143.0736696 290.2415145 142.7265658 189.9713883 67.87765435 204.9355611 43.59868469 127.0726116 54.28135905 273.0969578 47.31046064 38.62324889 394.3410324 114.0021136 59.57776706 40.02201387 192.7634456 146.0883186 299.6569264 387.172886 242.3990265 227.7117083 225.4835587 252.0289681 170.335624 258.3922738 131.9250158 38.67574041 185.9796153 40.11492977 111.284782 131.9662099 167.0652801 114.1783913 196.7536284 63.1972965 125.5762056 59.52391721 159.6581808 105.9737728 93.04352553 106.9689637 244.2169636 344.7077806 143.0423489 138.4807841 285.9806953 49.03410531 19.34780417 14.71752432 80.3947056 42.14451836 114.1930072 115.2613584 100.5665727 137.2727021 227.3931446 178.2546396 127.4916702 223.5156678 114.9800862 178.7553425 225.0836448 132.9756431 246.2181275 129.1384478 333.5070353 105.2138139 115.4746757 191.5063916 136.3797439 67.00523661 143.7204084 47.30009792 160.2963327 138.6916825 98.34931201 223.4469314 155.4263535 98.58346582 122.2764967 200.301223 141.741791 201.9609487 206.0904842 166.6363057 100.0589937 133.3476497 129.8743183 208.6690026 225.6925477 217.1986876 99.9449985 366.7610179 234.1309242 137.733388 51.42701243 88.55006274 220.5636423 127.1403964 144.0792293 131.3208459 352.2766001 arachidonic acid (cis-5,8,11,14-C20:4,n-6) 963418.2599 819992.1599 2013658.223 556672.3612 1072555.374 1150027.257 871179.6132 898758.5196 1791196.047 1288589.337 1252513.611 848928.8304 711295.2971 1401515.136 2091939.192 1171402 2146422.662 679701.8813 716121.9023 981579.4591 877433.1337 1280333.892 673329.0125 1309528.904 922347.054 1019503.245 1740823.999 1106754.022 1611534.94 1077560.725 940254.8421 807464.2023 463883.6412 1022955.316 1683415.301 759888.1848 1261067.604 2187663.343 1096386.457 1319634.056 1599430.297 796021.1556 835368.3339 1355263.644 1689829.791 780167.3302 1010279.165 986633.6351 2112985.754 994393.6559 932196.5304 1847267.199 1244522.12 1302592.137 1015177.621 1096278.235 1521042.535 1529435.493 1767643.818 1078136.904 1917051.964 1157610.21 695541.1082 725955.9743 1349082.584 1370907.557 988084.561 1317004.923 933541.0995 1582480.217 487398.2587 1522504.139 1250435.902 1092906.465 1170983.298 1254703.689 1614754.998 743055.0525 1214793.779 998695.8495 632960.729 2949293.085 842661.9299 941107.4609 1210186.243 1776522.247 645871.2464 652601.1659 2276200.145 1126223.528 1821001.661 632382.5779 1497285.822 1532368.492 1227992.46 1697240.04 1226443.686 1040925.694 2086463.558 964705.0545 1718294.222 1099315.451 1047804.921 1210144.782 1597714.169 1295984.384 3422814.132 2134602.206 1478884.875 1372132.065 462949.7996 1808663.607 475092.1991 1046880.316 872653.0975 1388484.911 725324.6224 842867.7317 1527582.449 979171.1844 1189237.466 1345485.605 914448.7904 816714.4062 977209.9663 453887.3883 1099134.88 540390.864 1072264.73 2099311.265 989196.3344 1544253.8 880563.4127 1205913.4 1063373.91 1187043.422 588416.6503 855199.4234 1635028.886 1161220.816 1430729.232 1056356.809 729150.8101 1647149.607 1030858.086 836122.437 1030844.476 asparagine 1717.368817 2189.492914 1573.870795 1507.423917 1425.218248 2467.189993 2055.165721 1531.378862 2112.966889 1491.988273 2067.80019 1625.367551 2075.061171 1912.640595 1676.908024 1580.766445 1607.918096 1558.543533 1619.09337 1637.834468 1715.438237 1524.668627 1549.812457 1525.551983 2349.33886 1830.916414 1726.723011 1431.122612 1457.294888 1615.691273 1811.56846 1847.658521 1822.738851 2651.629771 1674.127162 2523.49335 1955.58432 3563.207282 840.6636233 1816.469533 1450.112156 1919.53094 1936.904971 1728.191193 2154.604135 1871.305673 1261.684341 1757.953107 2060.788036 1660.220933 1191.81341 2054.287667 1535.791921 2799.219335 2268.176871 1997.393528 1729.727093 1352.557898 1285.428964 1725.860542 1154.137947 1797.890454 1916.559145 1836.353928 1610.570425 1700.780295 1443.594468 2152.209852 2158.448579 1859.629037 1740.985697 1513.074814 1038.348869 1271.757936 2269.838811 1745.867833 1698.854478 2168.153375 1737.487701 2034.180889 1686.647498 2186.386888 2020.758251 1384.553515 1808.111393 1932.611674 2127.240437 1362.967672 2019.988684 2181.859943 2051.72965 1626.240101 2310.289715 1456.330768 2405.392084 1849.196381 2057.308786 1698.429179 1403.804106 1806.206533 2119.279833 2214.245526 1909.476966 2150.376571 1989.798371 1940.234059 1812.518625 2161.898792 1604.531782 1733.634418 1843.007079 1785.253423 1827.949789 1673.276398 1554.445971 2256.83663 1293.964645 2023.741535 1249.793111 1659.830521 2469.148841 1971.025524 1309.371812 1711.867072 2598.034589 1711.693726 2910.692675 1724.329734 1692.975216 1557.557892 1512.352427 1534.955159 1933.826359 2340.31037 2070.629888 1821.604845 2092.359945 1399.258606 1400.500498 2010.356292 1478.411821 2098.498952 2011.618444 2233.232428 2290.031116 1947.544017 1674.506415 aspartic acid 3891.628344 3576.001064 5143.654321 4367.741602 5704.241254 4814.758197 5125.169448 6960.075599 5191.962518 5351.592374 6227.088106 7688.810208 7708.155895 6372.568757 8072.116214 8255.622906 6854.653376 8496.775195 8539.923469 5965.835313 6090.266366 8476.473414 7155.070234 8582.303552 7581.431193 6730.32644 7400.975143 7344.052359 8137.513046 5673.911188 7522.269403 7424.430295 7689.014365 4406.671107 6365.517373 9001.513799 11444.89204 8844.666351 7352.239089 8071.243917 8115.020519 7162.914271 7752.632325 9331.958335 9103.913209 6663.231602 8857.75953 9418.214465 10560.30303 4769.432382 9932.732641 11603.70255 11472.24628 8719.810522 10739.21803 9521.396908 10846.85239 10128.44787 10210.63509 9543.226399 10462.11658 10285.62784 10274.26662 9868.076707 10594.318 10128.47386 11933.0998 9957.025841 9268.091351 8296.434578 11053.86335 7461.464888 11985.77956 4916.342754 8131.765376 7000.216789 6794.913869 7117.332516 7478.838455 6211.821061 6313.474848 6216.476542 5662.029954 7369.407446 6798.787108 8568.219944 9039.510958 9848.899634 9448.403194 8430.674875 7163.240422 6917.504843 12040.1093 7392.403202 10423.67005 8545.932328 8336.774214 7935.691981 12166.71804 8499.627077 13323.09134 12721.57229 11965.64086 9950.762112 8555.903849 10932.52198 16065.61321 14894.66149 10599.89237 11499.53577 9631.915403 10684.39858 12921.03283 13856.85598 14899.90343 8449.47867 9918.72269 11696.05661 10232.4009 11558.90954 9740.3537 10080.71643 9496.772769 2506.97318 2578.938718 9590.465816 9591.94785 10986.87818 8964.874844 8250.915831 6837.372861 7544.144346 10329.70437 6997.413096 8813.225842 10349.46532 10712.04048 11651.66978 8281.101552 6442.587755 10391.98368 7337.305167 9205.451483 9293.264312 10902.57989 8682.439519 8524.575398 azelaic acid 244.8088037 77.28955136 583.3391858 278.6805153 183.8881412 97.72816399 216.6944208 88.7478265 148.5323768 172.5011254 151.1709472 148.6982631 173.6901201 45.13916167 143.5576978 123.0624716 196.9317854 42.09372879 145.4343503 128.3595862 166.574093 203.7573223 189.0377188 222.2416544 202.0144685 108.6124096 315.4268051 111.7461091 281.153936 66.94788932 80.62439421 130.1417713 167.4452074 111.5061503 217.4335926 262.4960224 94.42530423 326.9113991 63.92282604 156.3739987 168.8312928 243.3423305 203.3116408 185.5701342 153.0284302 198.7100212 125.1119524 110.7563435 423.9294794 71.0733598 187.5125714 269.5321036 180.7507068 227.4223442 156.1763575 239.1798728 378.323356 235.2412059 177.284553 211.2715427 224.6504826 134.9252406 112.3040778 150.7875918 188.9962152 185.5622804 201.0394072 240.5568339 218.6772767 326.4119295 77.33538112 121.4163506 104.1176937 145.6338835 162.815232 244.7390476 428.5899396 138.8172318 234.6645454 32.03354741 189.9604048 266.6725733 170.4842347 65.56620916 172.7081815 113.6957363 99.03297524 309.7781296 279.3529044 89.14457771 99.2057709 132.4979433 170.5392285 117.2094737 117.2989868 141.7894211 133.7442884 176.9063416 229.0601115 116.1347478 86.77333306 143.9950245 187.0524493 214.2859922 385.3892563 193.4524615 115.894812 272.6888951 62.39210415 147.4501351 30.89850551 219.2349898 108.9443163 78.29476805 149.2721219 163.2171439 129.8749933 123.1478687 118.8499369 119.9774482 170.6942246 171.5407705 64.51625935 298.7887168 90.1950517 78.73849773 236.4539409 213.816378 171.4255165 241.5421022 60.91966682 151.2308845 228.2679105 248.5914012 195.6122923 165.4818456 147.720074 117.4032432 147.6427548 42.78116074 102.0507472 150.9953991 147.2002848 348.0499208 239.2620898 130.0269145 179.5037312 capric acid (C10:0) 37468.66648 16109.27751 22283.54917 17609.61486 25067.1099 17594.84586 19670.05865 19224.44382 16934.83084 24592.90144 24665.46653 35073.73653 24919.28672 19189.20515 18056.33692 23385.51103 18133.09907 20760.27372 15630.65771 15885.80772 26762.05038 22119.32226 20833.4599 21893.16932 28635.75519 20915.95908 21869.61365 23436.85114 17535.6944 25594.01375 24323.42295 22991.75202 29172.7619 35774.86878 38253.59765 15309.90232 26177.92113 21607.05442 30358.30569 23776.68904 32231.5093 24991.66506 35861.16559 42502.81925 32002.58332 28798.92028 26813.23844 46690.39387 30894.20635 26627.17001 32845.17158 41437.48799 34235.80927 28435.85606 36232.84246 33799.21972 33165.2679 34008.52051 29983.48952 31955.89282 60649.76791 47837.42233 52643.15848 48812.12329 49625.67167 44390.73032 40693.99427 43683.149 39383.83173 45740.75482 52495.79441 73097.36258 37081.77534 39503.66987 150687.7689 35230.35898 36688.00281 28947.39513 50130.78413 35068.81286 48268.25938 38285.41156 46470.95416 50197.62901 61903.70723 36231.94864 39887.48558 37313.83501 29220.07525 62115.50614 51675.54896 40216.19259 43020.95909 43019.87865 38720.79896 57214.63467 40802.82335 43847.42321 62954.47875 37271.48975 53303.21765 57099.06767 22763.24516 21525.35107 30004.93523 26069.83515 25391.55743 27290.76456 27227.38715 19423.00483 21737.23568 16455.46347 21966.80116 28550.83216 27816.14101 28603.55767 19701.0277 20517.112 37514.27454 26807.95947 38205.41717 26394.54592 19531.55255 16395.67829 23446.07196 20701.29782 18412.63816 21846.2247 32170.34231 22025.59225 18299.28895 20162.4406 33551.90367 24069.37256 28002.46266 24943.40745 25893.78175 25700.77136 27843.93516 19417.92421 19410.44683 16612.05917 27123.0526 26310.15645 21983.52781 21209.07126 33069.85101 chenodeoxycholic acid 30070.44596 39763.39633 15617.97004 28514.36847 162093.9353 36394.97506 12932.23737 52816.53905 20887.55988 50764.7077 25228.72676 42077.65586 26004.5472 29668.66504 46110.59656 12475.04185 351940.5053 43083.98508 78039.14139 51414.31051 65555.65101 3316.17704 61815.52541 50043.10249 50050.93716 4785.008043 13008.17678 42668.28923 19197.07876 12980.6919 15009.11915 33994.94645 55450.92744 32694.30309 38539.03309 86687.70193 33870.05118 20298.4057 35781.46215 94542.84719 81870.53046 9071.725137 23550.18967 11074.05595 44189.80246 42561.72089 33642.32867 20574.9146 29592.78698 94275.52384 49257.26004 23411.7954 65596.92984 59379.41504 19462.51501 122247.895 20952.88569 91623.44005 22920.44421 22670.87408 42478.04887 73267.52526 33917.5092 31902.03834 6353.999587 16337.28144 34441.27931 37929.33256 16414.81247 151474.9377 11928.28795 31228.22664 35291.34378 53050.89665 59676.41158 13124.9037 96089.02172 30672.87339 86258.1861 10330.34861 48621.17035 18964.31183 36840.32884 9816.562073 20451.36938 29615.30147 28169.37508 30800.29309 31940.1742 25491.58181 79861.02955 40633.04408 19394.82461 24842.4644 33991.8228 39768.30612 86778.29252 23774.63589 42132.38684 17957.92629 50594.56291 85270.02861 42017.9136 41418.04924 23198.54387 47976.07001 54947.03068 48911.38968 63444.17994 104137.4686 6308.267049 24794.76224 10520.39143 49062.31435 14771.84962 88923.69077 26922.4961 8397.145344 19395.4552 17456.1892 86209.39102 262559.3236 22225.73774 11071.62891 23108.63789 127665.8437 42961.85839 22104.74195 15005.36457 59572.54037 35131.13791 47351.83914 34257.76127 42608.84514 29490.07446 36811.2039 59464.0778 67186.04389 26011.75616 26398.8979 126592.9278 44156.87349 60933.4472 157462.3506 13255.24548 46315.45458 15038.51972 cholic acid 3315.048324 13168.23039 3906.202491 4488.789754 47193.71551 3146.043882 2396.172188 5826.813802 5419.018031 16455.81784 4044.004244 9507.238098 2788.99658 1819.151043 4909.884133 6827.72902 170975.7255 10985.89347 13426.64649 8287.260697 17686.66696 1983.994925 7844.26451 5077.612524 4309.611175 2550.421463 2561.90568 7243.287502 1770.422335 8006.377647 3127.905764 4293.142681 9943.457617 4941.211241 3750.296483 24389.20836 6781.095031 2909.730618 7270.61688 45780.28842 65453.29664 1351.358397 1837.430408 2209.755647 7768.721927 7020.808084 2034.785652 2964.023315 7776.650802 54481.20636 7639.565188 2111.214981 3806.152609 7689.910089 1701.023801 22075.37033 2827.785873 18732.40614 1861.421357 3081.425655 3063.572293 18313.60868 10291.00712 4522.311024 1344.274865 3451.433337 3437.78025 2306.081793 1194.271399 22543.63059 2661.937044 1802.070991 8881.775542 18359.52125 6049.704283 2916.69684 14856.77815 2666.618526 19434.46146 1581.722469 8801.32371 4446.85301 4270.964395 1924.73589 7264.312029 9049.351963 4004.379013 10375.94745 3258.662492 7543.638682 17177.98572 7029.734638 3842.862942 2184.527464 8947.630517 6416.135784 23096.68704 1429.695237 3427.635731 3411.42572 4330.812338 15756.75875 16121.73314 3767.915948 6239.015326 13693.88303 12989.32241 3259.666805 8699.344738 19967.48725 1875.270656 8497.468037 2080.347242 5231.984297 2323.627987 22943.67032 5613.952347 3067.144546 1523.460635 11116.71336 29852.19111 113088.7953 5387.619681 2407.548789 2909.21237 5989.37502 5538.128856 2014.649407 2634.098843 9292.397698 6601.701719 7947.049709 10249.66673 8965.096677 4236.247502 9009.425315 6601.107295 47174.69293 4463.513055 5467.800907 40633.16345 12601.11945 16438.92601 110126.1934 2499.493655 25957.52269 2998.975404 cis-8,11,14-eicosatrienoic acid (cis-8,11,14-C20:3 n-6) 130138.7036 135759.2534 390828.9281 121279.9112 161057.3417 177929.5863 116370.9986 295435.43 135745.3374 185206.8354 181332.9804 233778.0472 169422.3371 172517.4985 307549.9401 132439.9231 310521.6148 179881.9579 130717.2717 95386.65408 188746.9146 154073.0862 155453.9943 149735.8873 182051.1599 108178.4934 270724.3981 137566.4 223348.0411 132885.6117 149066.5904 164693.3343 78591.78057 216734.3326 260279.3395 119491.4017 173970.4345 497364.3621 215492.8343 214868.7032 176748.8164 129070.3758 135116.6973 283002.7269 271333.0667 121900.7357 135154.0572 179469.4244 365125.5465 119860.2934 152267.3499 369327.9113 194190.4996 168971.91 192765.7319 209444.4872 232521.9457 267749.1418 245816.1918 180761.9788 418236.1883 206692.7213 162626.3155 205426.8814 307116.7132 248791.6391 200994.2114 200200.8082 221600.1289 205102.0035 105485.3594 235627.8979 169171.2768 122970.1947 120006.8904 194223.7736 208542.0114 117719.1734 104514.3893 123102.5464 180222.3912 1368378.201 143648.3597 128500.2859 366978.7945 234447.5613 188857.9923 104108.2686 331181.9242 246587.6237 383622.488 158920.1205 190597.3124 229687.3359 354388.071 317336.7287 182457.7545 137871.6504 259969.0282 148050.9917 385574.8265 197431.7457 154932.9758 158489.3891 364878.7128 152568.3817 311158.6659 274144.5168 210403.9769 300124.935 87985.37618 246483.8478 128501.3912 152517.3221 157542.0065 168497.8714 136256.4206 115125.7681 283552.3577 229213.5309 149488.4703 214474.4154 148031.0434 163317.3387 253210.2201 128745.3271 183043.0569 88045.67199 125706.8705 352201.157 142194.091 247197.624 148811.9266 162370.0635 120848.4766 125174.6132 116841.1759 122786.615 261938.188 147154.1614 224433.1315 159595.692 169302.232 318130.1667 201930.3769 142185.029 160918.1904 citric acid 1259.985426 1308.883872 1235.156677 1388.758601 1333.675987 1180.600157 958.1330221 1092.984296 1043.107238 2327.376565 1945.822904 1385.387121 1828.697059 1327.919083 1815.012981 1007.797624 1761.90842 2027.535907 1215.527983 1127.039618 594.3247995 835.4191102 1467.772111 702.2790084 816.6628498 1155.795478 676.9109655 841.9126987 876.1592081 1043.715447 583.7899586 556.8854305 373.4811042 792.8686097 375.894571 715.6073071 513.8170097 550.2983503 227.5319236 423.9067903 920.0521225 403.0502925 943.9397005 654.3878604 661.617361 663.61406 248.7989737 916.2297802 213.4365619 626.1998465 537.0496792 1002.333717 369.4799958 402.6500521 619.8899119 535.7921694 489.7876551 364.8930915 804.1596398 873.5958681 1008.873163 824.2378955 636.1939237 898.5990065 693.7422859 1124.227499 1107.187358 798.2330675 673.866729 875.918448 568.8780278 722.3351079 329.8518173 350.2065676 604.7709407 295.8160997 677.0867508 380.7313342 539.4617893 710.8632446 793.696905 846.4440502 704.606453 708.9401823 682.2623471 427.1132406 684.4359232 771.2605703 713.7298166 700.7190614 435.3390879 429.1587855 724.5261691 485.0031565 824.4284116 673.8956557 1342.396243 510.3043564 493.4134462 330.1840165 538.3676102 625.4640661 576.2016872 458.8688742 444.0446641 750.1258515 562.3955736 465.2078017 460.4534709 745.6812633 359.8549721 459.6890344 852.8353131 630.6965759 552.5862967 523.1642321 637.2952472 990.4694399 929.1493325 672.6581834 754.4302969 493.3548411 661.9965524 746.2960287 620.2688505 430.5024635 543.6688052 389.2147278 817.5511754 755.3306261 569.6912015 662.5109138 798.7377308 881.372485 506.5944392 661.8254124 836.7045474 646.5100487 746.6506737 650.3733276 807.6056294 788.4976107 959.8142669 783.6674474 859.7461426 752.1201779 931.2830197 citrulline 1604.128046 1833.466465 1772.953722 1306.861949 1292.306679 1730.372482 1085.653741 1672.248351 1298.805731 1381.080812 1621.409412 1810.726167 2653.126242 3088.476508 1320.642874 1221.475236 3561.56673 2619.784881 4104.600509 1672.927044 1386.953737 1426.740275 1320.787565 1565.471713 1757.333263 1808.605398 951.6976979 2285.421806 1112.161317 1885.087375 1500.238189 1226.557204 2058.679908 1671.678639 1577.325913 3326.017478 2770.685167 1352.503594 1288.845223 1678.394491 1642.579653 1697.580804 1805.61757 1894.402475 1256.386045 1903.521537 1263.060984 1274.632829 1935.661776 1959.945563 1712.727556 1741.048884 1528.831011 1581.547187 2069.627371 1237.488791 991.3606126 1832.518729 3455.716712 1658.156629 2235.585272 1701.100527 2756.329088 978.3169933 2043.885114 1942.400687 3499.140178 2099.324379 2660.739728 2002.727558 5415.217487 3633.214661 1169.439432 1229.844376 2688.434796 844.4198808 1010.22285 1170.964 1209.847794 2522.813684 998.9227159 1267.369033 1170.33585 1432.470921 2102.982069 1567.51389 3227.121706 2088.523745 1473.291427 1368.83542 1608.105855 2280.59018 2177.448734 1870.754777 2042.009815 2798.724502 2753.259806 2765.542093 1030.760907 1832.436265 1645.947118 1982.724117 1384.668985 1728.93728 1662.115429 2333.152299 1456.947513 2739.390143 1406.131743 1451.717314 3086.292494 1476.819964 4242.240855 2768.750248 1488.84296 2197.100664 3030.12779 2958.289639 3352.484961 3839.670784 2114.222463 2134.332579 1525.170501 1484.424202 1065.762674 1061.06601 1713.046829 1816.282926 3006.013544 983.5999771 1777.205828 1380.402903 3581.488777 1816.813505 2636.013695 3091.498477 2888.665703 2319.422808 2126.529103 1970.397028 3447.925912 2738.908204 2385.671743 1659.483053 2320.656468 2023.818854 2979.935764 creatinine 8483.942143 8061.767144 5638.206837 4343.765254 5047.420716 5147.082756 6295.146035 6725.602123 6765.887771 6771.061011 5992.500812 7757.151394 6821.734047 9191.522597 12277.60445 6292.998832 5600.197594 9151.897667 8094.725124 7791.896755 4360.809183 5042.567361 5922.841905 4380.360891 5984.042641 5574.182828 4726.291905 4422.967142 6345.11958 7584.572033 5376.983247 5722.353419 5784.234484 6273.168539 3758.26019 5894.518205 8147.587487 5847.666139 7785.620595 5271.67208 4891.002541 5462.091913 6569.770497 5262.01932 4785.28387 5323.406994 4495.752752 5023.750429 7292.765747 7948.139619 7073.411935 7653.935373 6917.811908 8204.014409 9224.613536 8391.161498 6055.600754 6952.556402 6456.757622 8531.603104 7649.701917 8720.754701 7885.286292 5660.324567 8768.097567 7361.558054 8084.79768 7100.007395 7439.072818 7620.779067 10698.28927 7405.337466 4677.682355 5122.161664 4503.342085 3545.572808 3867.898348 4030.822749 3371.322484 5338.322206 3564.376804 4251.067638 5944.090898 5083.559106 5005.40737 5124.258909 7443.450163 4454.233803 3869.658913 7174.912794 5144.870508 5494.210213 6147.209417 5985.38291 7455.537813 5863.080101 6451.385298 6388.69085 7378.614779 7012.46696 6789.245949 8685.90886 6977.065992 6664.390802 8560.066039 4495.663341 6064.195355 5742.385831 7311.209115 8239.67303 7849.520755 8717.418818 9590.428862 7982.095863 7429.561268 5120.402238 7473.991012 7742.625279 10847.7434 8659.766703 8149.271077 6138.964314 5434.34199 3695.146881 3598.154414 5467.82258 6430.982689 4495.657277 4030.642689 5436.371674 3850.332354 4643.352014 5582.638434 4875.672571 5496.870333 5642.939929 6481.398875 7322.290319 4520.791186 3777.586279 5355.583806 5563.687649 5454.279957 4081.311635 7605.249832 5498.686006 6126.549344 deoxycholic acid 276.7096458 593.5499537 447.7147249 153.4061845 496.6447054 428.3790414 547.0068825 476.7074319 564.7059825 240.5520318 347.9498916 344.3040125 601.8325145 368.9986173 874.6422797 352.8211826 1182.786535 492.142979 735.1058473 521.5814736 253.8087194 435.0845228 165.9644987 622.8405077 124.4395612 401.3688116 666.854035 284.5695217 362.1296084 450.9904051 498.4992086 529.6213183 282.0210439 344.2819036 201.0874308 315.4239148 613.8942202 540.3476388 512.1331217 706.1920084 484.2775011 378.1151803 381.2839491 621.4092781 532.8407712 314.777019 226.6277037 200.9438638 511.306385 658.7689401 305.582496 680.5954117 116.6073629 181.1910365 414.637641 623.0531763 345.2999616 460.1141233 130.0120833 536.7849438 219.3272965 398.1964628 312.6403903 179.8531517 213.6065719 301.0415037 392.7108329 625.7802824 367.0130579 563.1231735 448.1717757 590.1297075 304.2789417 196.6258246 254.354653 324.0876947 462.9069296 378.674046 430.372816 426.9751793 181.6375986 75.75248247 196.0033315 439.2244743 427.8260084 406.2443451 345.5959509 331.3778474 551.0831902 306.525878 430.651853 557.445964 377.5780977 503.1732063 394.0135666 421.3713512 861.6228587 598.3780601 286.4665707 673.1571781 461.00912 525.9373224 333.5785165 502.8805028 476.0206588 365.2546926 780.0924292 278.4228411 393.9475571 515.1201362 159.9535004 297.7954171 134.8531745 543.3064705 354.4842615 399.6328805 349.8942103 314.7083627 471.0898751 730.8355985 372.5643122 810.8766678 116.3121037 466.7402804 264.4548369 715.4580636 448.6005662 399.8071146 248.689501 421.3284185 315.5839912 368.4562048 112.2859713 393.0314346 347.0704185 473.9139959 374.7997832 517.1259365 113.230395 490.9914964 287.376645 237.2268577 282.695687 862.7076381 272.3399606 393.252406 279.6258762 docosahexaenoic acid (DHA,cis-4,7,10,13,16,19-C22:6,n-3) 601746.1289 315119.6953 472533.2389 259117.8393 630259.747 320656.9732 178091.6342 358983.0107 451201.8674 579706.7825 529300.4958 812860.6183 335146.9771 586979.4333 1193256.793 405242.1005 973133.0195 470768.9416 451582.5914 286912.3402 538383.1705 526751.8582 301133.464 359359.8559 501383.0903 506047.5035 812852.5735 407409.1298 491002.0684 653491.7131 410413.566 346428.3764 362441.9708 613886.4089 625784.1249 591981.7037 599968.9683 698018.8125 489797.5195 670375.4819 448028.8992 418703.9991 575576.4495 1153178.1 545231.9857 716778.4257 531058.826 604387.2969 633637.0175 223738.049 321089.1873 579287.0458 495103.3364 1188837.005 550955.6987 404788.048 397058.0048 650258.8323 606177.788 555223.2956 786701.4512 634453.426 432809.3298 423560.4028 737859.0738 547223.5215 369068.6168 536746.7819 471511.0093 531453.635 320643.2393 643118.992 583372.7236 203228.5156 522429.8759 521748.5049 536223.1659 239589.72 358526.2536 419422.8327 483454.5466 1107098.356 286632.2682 241507.5633 486150.7408 812121.7202 538876.3946 364555.6421 679595.6021 505967.4749 1146891.44 335832.3185 714263.5965 453598.6815 552391.5904 416849.0704 610530.0679 392318.6982 466960.0364 366130.6546 642643.7249 519224.1175 453174.7807 651803.3585 832087.3403 425397.4601 1205862.943 673496.3171 341119.8074 669019.2058 212849.5687 721189.6851 235902.4874 543682.7668 386094.7829 521237.8381 382023.6036 374450.4589 346204.5474 421857.6564 370145.4619 484745.7381 333086.2491 283296.1458 505958.5277 184060.3788 394881.7612 405875.6949 376128.2032 570081.811 393010.5187 481546.1648 443559.4979 480178.4988 482049.1497 613496.431 313308.2856 422973.0552 421875.9704 697433.5947 575664.6875 278313.2373 426836.5119 1286442.489 416953.6944 497478.0129 544317.3774 docosapentaenoic acid (cis-4,7,10,13,16-C22:5, 22n-6) 48342.50368 39195.59488 45369.96239 23364.66526 53383.01843 34861.13487 17415.63427 30922.47477 56138.00684 27981.46095 49804.98508 69635.65494 27234.0847 54460.32576 100702.0094 29910.9141 52447.76603 42298.60928 21551.44205 34349.51218 47112.97249 43482.90784 27944.78868 41121.8524 56782.8938 38791.83604 80453.9058 31600.76105 40734.53963 63497.68348 40968.33088 48738.32039 29713.7227 55508.33331 66991.74347 54240.5589 60395.49686 53915.33856 81956.35633 46451.82999 50413.64896 33053.61782 48905.19357 66973.23319 46787.01473 57108.74885 56437.21005 74292.3976 61798.14286 28838.76219 54225.32276 46208.59916 36888.4051 76269.15073 45867.1283 39255.63208 38839.21759 50396.19821 69100.84123 35083.74379 82870.54263 43789.43338 46522.80179 29569.84139 66722.67832 59149.12157 32783.26743 39222.94483 63906.98708 60899.36078 24911.08642 114285.907 55261.63407 36123.05896 48019.72926 56264.28623 35552.14171 35709.35308 30176.56039 43130.66311 42578.21938 314985.8412 20126.4796 39087.61222 82105.51192 58878.69739 45188.52718 27416.07683 76791.78785 60843.58899 158649.0542 40628.49959 50423.50353 57669.99908 56918.7541 77947.36642 49219.94094 44156.67825 69920.78963 36942.10076 81399.39663 54111.52498 45526.51194 55717.30369 74582.93369 33853.21356 88691.81445 31232.63473 34712.06776 41712.87686 20745.63171 58738.41947 17273.50696 52177.22341 65565.28004 44261.07501 41690.47656 36329.78038 42724.15725 59008.96213 38253.32261 37601.83646 41209.80386 34135.18203 61821.44275 24138.88411 43008.64834 21877.05663 49384.69564 78900.43758 39828.0122 59364.22489 31464.92656 27711.01749 39150.66103 47411.62951 31221.79463 35697.15954 82367.57287 64921.98762 53276.25729 22606.33241 25141.47834 57950.93941 27313.9232 38897.7199 57880.61984 eicosadienoic acid (cis-11,14-C20:2, n-6) 390075.7975 245413.9504 558656.5887 153279.8446 369454.5891 247921.9674 207521.2597 249411.5807 341797.384 350501.8944 401119.1939 573458.6212 444998.3096 301270.7051 378833.7746 205515.5114 485882.8246 424424.7205 291263.7698 196469.8936 566574.6324 417747.2955 417756.0002 394427.5337 696810.4957 328470.9613 632596.0776 364150.3554 534279.7215 438718.383 276122.1781 451472.189 267236.345 802761.324 520143.8599 219325.3372 362936.3638 375238.0364 482700.934 636080.0006 390260.3005 350623.2237 729406.6107 647820.5405 810612.3569 314654.6561 435023.4919 476560.4812 529862.4061 220262.3412 474383.032 530219.9452 367975.7678 211186.5529 685742.8865 513701.4712 518216.3607 527120.198 506898.5012 367781.3675 769925.892 618374.7363 583485.1508 626278.5293 545308.2782 373119.1757 427599.1624 397285.3457 699978.6934 597158.8276 556153.3314 758756.3774 317346.5788 243548.0534 292749.1368 455929.1064 353126.8383 344919.9474 236328.9529 281735.2854 445912.6513 1616550.594 491719.7493 454436.6714 764179.8655 304615.7888 642654.6579 371134.7872 353251.2092 579044.5874 694107.9298 464548.2958 315596.6934 350742.0462 659904.8294 507394.5454 479636.884 330884.6836 519183.4291 388794.7891 797995.2092 586176.6056 411850.7017 307612.1501 798545.7699 434175.2256 491338.918 377631.9679 297481.2446 471618.4083 300671.0989 461585.5074 413228.8075 499448.7639 522763.4954 420160.4417 453380.0535 304422.2292 690855.8467 713022.3856 410794.0296 571421.6055 513960.1171 478767.3315 989905.4365 186359.0653 385467.2745 248880.1814 377184.9556 547262.289 374388.1705 460825.2297 456669.2458 427188.3688 377263.7398 420793.0686 372235.4375 350929.3971 483030.6444 664472.2874 420048.0741 286936.0664 374704.6516 517803.9627 300756.9392 442797.7252 696478.4169 eicosapentaenoic acid (cis-5,8,11,14,17-C20:5) 91506.67757 43092.22886 118528.7454 66396.61292 128594.9668 55591.1984 52070.87578 89793.78427 78041.70626 81101.62262 96889.90874 159981.3471 63856.27036 127407.9818 401742.0121 74074.07333 347937.0017 90625.66246 172331.4369 48566.4086 78310.79431 163255.0047 36562.87315 66528.76359 57115.26226 83593.21844 116745.9995 51536.82997 92043.34069 147958.4897 87458.54938 34607.08307 50094.37248 69345.9238 135372.3549 100434.0531 79526.56876 343752.5105 94493.14292 141471.4275 50375.65644 80123.96698 69412.76752 273838.1874 76331.23876 101341.7276 77150.22621 86071.69133 113767.8988 59842.11122 27084.97257 225511.3509 164310.357 516316.836 121899.8786 72929.3582 54080.80913 130696.3577 135032.9459 122623.5141 153061.1063 162292.3297 57578.51984 72103.62979 149304.2542 80841.40546 93473.21657 191733.9787 79620.32407 91705.58369 54894.91149 79104.40119 216155.6586 30570.21153 97060.70594 69191.30046 148905.9208 55776.78288 76427.90337 70143.02977 76256.58156 127542.4729 49459.29119 27309.09088 84354.71657 237300.3946 126592.0867 47849.50556 195553.8738 77338.87087 197598.1394 62028.27333 141392.7254 103668.0999 90614.29775 66959.03207 80662.24763 87822.49729 90087.22649 68217.30027 142647.9927 92009.80494 125556.5408 163341.155 156019.3199 60926.5816 620468.5052 261195.4211 150546.6257 143091.5283 43007.06576 114992.6609 22527.12321 91598.37062 47318.66114 156885.2374 31599.60307 94641.29996 86402.1047 61671.17148 49277.43441 97802.35791 34904.63589 41247.31441 123699.4794 40783.25995 95120.91834 122417.6448 41392.14756 128293.7485 48566.66158 88430.20502 47732.54144 89963.1598 104499.7978 121592.0123 45219.2857 61021.61427 69577.03869 87697.61064 141274.849 71166.62173 60944.09713 459909.0866 198374.5777 94002.92869 57783.87939 eicosenoic acid (cis-11-C20:1,n-9) 600273.7325 221355.0783 523083.5183 104341.1184 396685.9314 167799.0508 234831.0934 165405.0492 342294.604 264471.0001 341387.0603 663511.674 609152.6479 237652.7636 1092473.357 166474.4647 377425.8389 438516.2477 212170.1439 248457.8813 425597.2791 396032.9619 443691.418 333022.2121 1001845.446 339246.3224 384806.4427 297820.7574 433759.9418 380025.6497 363924.1134 282151.8135 277875.0252 1110999.68 473771.5902 207412.3702 246897.4386 263828.6832 219007.7752 334892.3975 184505.8705 390658.9393 893188.7519 554161.9922 490112.1826 286157.7594 306451.3643 391023.9285 355508.6511 252778.1968 274398.6176 615442.5413 285327.6917 398556.2114 1282386.787 517620.635 341185.6591 392841.4026 477680.5122 214613.3255 628631.2208 621837.8916 383344.3192 1139311.305 408551.5243 301283.2243 287972.2497 739590.9559 611616.4594 643983.642 457817.1461 714620.7011 224740.77 119621.3535 293899.559 372782.5075 259949.1833 152593.4726 237374.0337 234001.5894 338271.0671 334026.1717 465516.3625 477219.7085 887571.2249 154270.5287 646155.8058 280244.0101 238519.8975 418497.4533 413568.8245 363487.8394 451039.1456 149271.3495 567791.1443 310742.4917 432285.3111 292239.3598 324177.7352 476987.8279 529904.5888 772622.5455 318280.2425 481825.6303 667670.9565 371875.3172 507737.6478 389002.4733 370535.749 310925.794 259012.3664 337423.1014 235607.7533 577604.1611 338652.0804 630695.9277 509739.9869 241708.4052 513382.9047 865343.774 499336.8291 500888.7715 396896.6837 386405.7864 366486.8105 154389.6418 292270.9328 329843.0533 279537.3944 506731.7046 192071.9898 349401.8472 418070.9292 278124.0215 288417.1962 279687.0656 400091.2288 327275.1862 354492.7721 486265.6114 395642.3906 165126.1925 234965.1293 340988.5618 672898.1971 336836.855 875986.275 elaidic acid (trans-9-C18:1) 19731749.01 9308099.858 18352623.41 3851664.657 10725615.18 7053483.743 7998387.674 7129924.913 10820972.55 9568322.347 12533251.81 23072892.11 12880471.19 9936937.17 14302789.98 10862573.62 14148861.69 17041595.82 7457359.052 8037848.259 17271460.47 13968427.75 12121569.11 13622308.01 24362599.77 12812803.36 16866534.6 12928765.71 13924544.61 14883762.3 12237193.31 13921782.58 7978464.511 25755356.36 22566726.21 6579223.63 13703802.99 14014596.99 14950598.31 15346541.27 11532764.62 13115776.35 22402845.7 20421382.57 21519054.49 11005491.14 14601328.74 19152519.19 16923954.41 5955715.002 13811274.91 22941444.49 13018236.69 7497386.765 21919695.59 17175215.61 15212809.32 17189685.6 16075566 8656964.918 24582045.9 30429543.72 18482019.76 21060461.3 19607100.08 13806240.21 11608572.48 12104167.02 22071530.98 16499652.36 17298632.17 28080505.51 9110182.952 5181280.441 9339034.482 13284145.41 13247823.73 7020910.357 9682497.3 9898079.892 12275635.16 25364529.25 14713445.31 12206691.72 25678542.08 7989043.333 21159957.68 12060431.04 12541641.81 18379521.51 19604486.56 11926492.27 10659446.26 9388333.54 21903513.46 15194945.8 17699135.28 10759913.43 14820822.5 10800086.53 22912591.34 20754118.2 12764422.93 10758888.02 23535154.99 13447230.36 14247216.05 14340363.07 10177097.53 10777863.22 9738176.204 14393988.17 9405040.748 16161689.1 15356319.6 17941708.47 15716420.68 9558404.417 16207543.32 19195437.03 13228933.75 16961540.22 15968170.38 12125624.84 16242943.79 7442005.456 10368173.33 9626095.013 11655954.1 15407645.61 10745619.01 13076632.31 14039632.65 11374322.52 10702559.1 10498208.98 13388725.17 13887324 13300010.5 19358753.12 12584321.25 6007441.02 10945129.61 14506114.7 13805899.01 14421632.23 22056988.52 formylglycine 240.4022653 139.7398485 233.589836 291.3302415 117.5345473 163.4232768 221.9949099 115.4811148 234.7385345 195.904951 175.5076247 237.7689743 373.4062941 292.8088354 171.9604409 434.895063 269.9507829 240.842594 357.9788139 272.1874134 106.3606224 695.957334 314.0720651 209.8772278 340.0578707 207.9639675 127.5778381 304.948064 196.2252654 156.9795209 172.1363919 219.7918825 209.9521552 241.1982564 166.8179765 374.7895988 196.9412725 150.4784265 226.331579 230.2976248 384.0429916 210.3146459 150.9511998 193.4389227 106.6090003 330.1284678 59.28269378 262.0593727 381.2510011 294.3371089 253.4052478 156.9815571 235.2078987 221.4842522 376.8511421 166.1227098 317.590959 200.0076849 180.1451825 218.3109672 260.4291453 269.7154076 224.2526094 169.8225279 326.5096237 130.4152526 486.8579289 273.1825974 260.5590863 477.4866515 186.6186657 271.397843 293.4225531 133.0386142 371.6381913 176.4894092 178.1777303 126.2207325 238.9505019 155.7936929 231.7035169 331.9993405 166.9779681 216.6767214 52.63277046 204.2289203 160.8002067 153.7503921 391.5646777 175.6328651 86.27126297 168.711317 341.2073237 295.3427941 350.5892221 242.7264358 313.5053171 401.8807662 130.9266425 142.4796403 232.8235481 357.6764209 260.6278834 307.0839255 191.5306751 402.9496921 481.7840563 309.3073804 312.9649341 187.6106732 210.9679424 202.3465841 203.0421734 204.4669068 104.8750622 484.20667 106.4516372 376.8890125 190.4652412 224.0805669 146.5136333 338.6371796 355.3579796 249.9906895 182.0293669 202.1863413 189.9907028 152.1349617 209.1699812 226.0645335 282.9877717 254.5261526 311.5358739 202.7862762 328.0379711 424.4341416 247.8405873 158.4582627 378.1903336 246.4682635 353.9616603 537.0914808 371.8811614 321.4490876 197.4288527 99.39425027 256.3932675 fumaric acid 338.8229049 466.3675418 394.9535059 330.0584613 770.9400957 419.7117037 661.8711409 471.958526 622.9486424 626.8935519 709.4991835 668.690982 736.097751 638.6573969 766.9648168 751.8709776 594.6900478 744.206474 754.0685272 645.520869 750.460501 849.3262176 1056.039488 597.001793 1115.422895 697.9249977 640.6031427 825.8047539 854.7781973 895.5749309 748.5820059 872.2397332 791.1023244 1327.881828 1009.167658 722.7318728 1221.943699 1338.578027 836.890258 809.7813669 770.3209848 898.2760345 1065.133415 962.1194351 1085.939558 936.7544148 1243.841807 1044.338992 1519.393218 928.5937892 1087.953184 1244.518785 1533.508304 1735.515968 1090.702186 1192.619254 1818.683065 946.5051922 854.4900491 1297.477636 1039.152801 1469.557992 1063.329397 1381.639702 1383.730403 1320.393158 1536.113371 1324.509568 1390.681211 929.0494787 1034.550661 1073.28836 913.3882296 1055.296146 848.8375122 1243.950839 1379.254602 1336.001443 1336.844244 1079.90658 786.3401077 1430.032701 858.8392872 1235.1216 998.9894718 1111.445658 1598.7281 1424.400267 1357.264512 1328.582091 1288.356473 1464.892546 1225.9893 1630.724994 1551.245165 1339.022924 1184.052672 1560.257143 2343.894874 1566.51492 1620.985857 1835.054769 1733.350997 1556.258514 2243.858603 1521.652123 1715.120471 1884.692734 1287.015329 1320.639233 1941.755028 1970.345254 1702.643705 1819.555025 2072.580373 1044.12777 1581.731936 1653.209915 1537.143833 1356.457825 1532.389501 2654.290716 1878.523002 2081.927519 3321.455596 2472.358123 2037.640865 1804.502828 1117.364325 1989.99441 2124.772252 2057.383331 1517.343448 1497.348757 1092.350991 1611.69285 1357.915181 1864.610705 1416.047906 1583.334385 1619.126199 1814.501184 1560.54274 2066.666278 1631.124424 1480.679912 1680.770213 glutamic acid 9977.986819 10152.22235 27383.8166 14097.56333 18968.62168 19517.29879 16127.01555 15598.4047 33377.28544 27102.1869 10661.12418 18520.73318 16239.81547 24890.33362 20477.24315 37298.89601 19313.92378 12432.25227 16484.95655 13002.17152 12963.28753 16917.80256 12490.44201 18720.36622 12166.05221 15779.12002 17790.07852 15477.57771 12838.10569 12925.25216 11962.73627 13227.02994 9035.802603 8449.967005 15954.93396 13782.85373 12447.31926 34060.6888 9707.144465 14879.37251 16720.54293 11218.49389 8768.404278 17515.63641 20704.03765 9760.82303 14896.21008 16316.35253 24689.69513 14147.98138 18546.85769 23058.55009 22713.64685 16831.43365 12955.67923 17383.55696 30367.5002 24248.65002 18442.96783 22265.09514 18701.12689 15480.97365 13654.50144 15615.00092 25152.83949 30983.05724 16246.41381 19137.9365 9742.704131 20084.85253 15913.33624 17919.52064 17368.94418 15174.53038 14747.25327 16433.81724 22211.71174 12582.80044 13765.38662 16340.49833 16424.19368 23785.49266 11498.00746 13281.15266 10931.93763 20125.4824 27903.4806 14263.40443 19813.24508 21527.94406 13558.71435 15458.40023 15783.30682 26459.66569 21321.14219 19685.45657 25887.99582 17571.90933 23633.26193 16412.08859 28355.47136 15565.68411 14360.59902 25573.42409 16967.64709 21709.80319 29520.70581 33890.98994 20141.41141 31580.2383 14481.36027 25853.04148 14874.44187 23754.87547 26825.38234 27055.72666 15347.35016 17330.66712 21616.43966 13439.33647 26990.1073 24667.76857 18525.74291 16750.70811 16249.47537 18066.39617 20020.68953 10492.37414 17191.14498 19522.55905 17212.61933 18367.58919 20780.89288 22652.03491 15592.37684 19822.49148 15683.81995 10092.88615 28189.82219 13868.83414 28608.57688 19804.71319 26642.61449 27279.73685 20647.60125 11023.72671 16110.56234 glutamine 22392.06709 29347.99697 2395.791634 19968.13039 11470.19014 22054.76277 14684.28799 18782.64862 3249.230026 3643.333034 22151.94318 16723.53835 23289.87778 11150.51797 10353.49801 2333.594005 7886.193158 28525.73562 25194.29535 25042.07278 16205.53855 5617.611381 21428.82232 10155.91013 23980.06294 19837.42403 12678.08497 13047.48729 10943.81934 15874.42664 26378.24161 21227.60628 25192.00494 30795.99814 8438.867363 16774.76134 19701.64095 13095.96906 17866.70881 12753.14988 13633.77768 16919.01738 21985.51426 20252.32456 6244.69835 20399.18912 8730.65278 12557.96674 5872.333298 16660.40704 9325.204261 13882.19674 6203.973665 17103.30735 20389.47435 23280.66761 4184.187054 3993.522896 9230.935717 3037.81123 15601.09415 21512.23027 20957.40019 20979.05764 4614.134598 2316.481759 21986.33597 20677.54765 25247.13342 15563.46617 15058.96869 11936.09436 6351.591424 9601.697363 17637.16118 10513.01777 4769.832607 22484.4433 18793.60186 13072.79486 16024.24258 6996.18182 16157.64357 22698.38914 25760.73503 7120.204204 7469.75602 18880.32724 8694.702737 9770.873952 16137.41217 20282.5363 25012.59002 4811.717492 18002.67802 10378.71016 11004.59458 17662.08688 9166.077643 19643.0367 10608.94359 26126.74985 24076.33883 8378.776487 19929.79418 12178.55982 4381.640539 5051.882031 15732.39469 4652.795137 25873.84842 6488.008578 28384.63521 15004.80604 6036.076582 8950.470364 20123.1128 19320.82434 13613.385 27595.53628 15620.77425 11265.29274 9081.111016 13079.02738 21066.5299 12970.21963 24614.61943 21550.10224 18948.93402 10627.90538 11892.64815 11260.27677 10802.96984 11909.63922 25279.79928 13180.64774 19552.01746 23822.80558 7881.241797 17960.40257 7174.969186 14342.99487 9984.603638 8316.396383 18684.86481 20014.79873 22677.49501 glycine 3800.821671 3860.181104 3496.159118 4242.240439 3031.803357 3185.180484 3546.179874 4011.266938 4543.110691 3077.841325 2849.489674 4733.584294 4564.93142 3894.400937 4563.054855 4838.475355 3073.736744 4734.413884 3710.1658 3302.902432 3051.927902 4328.25538 3140.479617 3552.734759 2358.199556 3470.495384 3111.266471 2775.575078 3113.440338 2391.984258 3224.100137 2881.253988 3168.094146 1030.890017 2430.994216 2771.925093 3977.299629 3421.792989 3168.683253 2965.531553 2794.745846 3067.739516 2300.675926 3332.706635 3031.638104 1794.682692 3158.863794 3041.732009 3507.073784 2221.726882 2955.295434 2823.820759 2879.320459 2967.09837 3341.805532 2909.752652 3195.017446 3533.126916 3693.510309 3900.194992 3757.761097 3879.579099 2963.393933 3349.886508 3412.969947 3495.895445 3461.160693 3517.689985 3612.835222 2745.007828 4224.686076 2886.285371 3594.62948 1709.383031 2797.694802 2612.319649 2536.545372 3315.756474 2318.082723 2833.485698 2638.688893 2040.669399 2736.860455 2579.933421 2844.333358 3202.159716 2830.1842 3137.257691 3409.238722 3135.172596 2362.740694 2452.338145 3566.188801 2582.24133 3645.48434 2823.715521 3005.665171 2527.817774 3549.172118 2539.534495 3881.785195 3523.3999 3820.342765 3293.517794 2475.412869 3629.956235 5907.986249 4425.270268 3533.796689 3568.927774 2846.208475 3359.136079 3720.660159 4242.619252 4265.036196 2888.661081 3171.820423 3866.288088 5442.063127 3448.777467 2720.492589 3109.904385 2887.544489 338.1832253 552.8140534 2886.698192 2971.152915 3183.22491 2689.030559 3138.244937 2512.672103 2825.45852 2905.159779 2724.479641 2573.68368 3803.306978 3213.366631 3036.069321 2712.298989 2874.122701 3167.375561 2234.53936 2874.457931 2391.877104 3909.016157 2893.861924 2214.887002 glycolithocholic acid 129.6007904 339.3834107 109.050559 184.922303 215.4053241 117.6825549 32.49383353 183.3884668 64.88132796 218.3650267 109.1668378 102.9559216 233.3572065 94.71375827 84.11285759 180.3204384 338.7147575 118.0225907 122.2194321 23.53800286 196.9796674 213.6494772 162.2214707 235.0707217 89.96224673 91.83630707 212.1092284 101.2914182 76.34481179 202.6398335 403.558084 139.3199496 217.5502013 72.10686684 204.8255377 65.07902553 106.5704971 310.7994102 110.6148934 141.4204959 59.34711325 113.5032197 145.2799126 93.92644665 190.0202424 218.1070201 118.0948995 79.68711498 499.5249671 134.1495224 141.3107134 236.4348589 204.2400796 166.5998815 145.7165136 301.603946 173.8219498 179.3097524 156.0092807 96.85417176 391.2771711 162.17695 211.2990229 262.6555603 82.12790571 93.53355256 229.9844309 153.071688 150.7902646 57.92971376 96.82159534 205.5557498 96.26906917 113.9723571 174.5512351 103.1880422 122.171907 177.418156 273.1226221 95.85959971 173.6725191 94.09314002 112.5517053 229.9638902 210.0348936 163.6674405 172.5085526 143.5103181 56.08625479 80.42356386 247.4581192 440.6113803 89.51412288 130.8689329 260.4792935 144.025863 310.4408213 151.8339225 285.1856279 312.7927148 75.5057376 272.9627177 276.5547568 267.233558 256.287533 185.6121716 125.1203523 148.031258 170.2698182 207.9463594 198.0298563 122.5120328 168.0978717 185.8618722 365.1264085 146.2014806 334.8486746 112.3259063 183.8039701 264.9431855 231.1513398 174.6787715 61.12414481 127.5873832 185.6601376 346.0894693 160.548666 226.7935067 275.6917831 260.443612 85.41080838 172.9272102 223.8929495 159.3669838 104.0078973 184.6357919 287.876923 99.04896689 267.6855045 380.6303081 206.6376879 170.9214781 140.7805073 257.4552174 108.9081369 221.9495208 284.1203012 guanosine 127.1700191 195.0667436 161.4191545 101.2548078 257.4853702 186.1585014 93.81549636 69.87990283 157.0508004 288.3373671 65.41214832 125.1184717 258.9437629 233.9545433 295.687677 211.2321386 81.11820084 128.3709669 412.962162 65.33206961 106.867765 130.6622477 126.0847998 405.738435 138.5380165 71.97855281 39.628964 245.5335355 106.4163725 169.2532488 145.8242563 235.6487678 180.8379656 89.61414848 88.50902901 264.7383879 214.3364051 83.82132106 47.19035351 28.96269682 183.5920454 66.10111736 96.28766524 356.1962297 177.8610139 37.39860265 151.9470044 95.44029924 173.1570339 124.3468215 294.567696 171.5550785 75.54100052 145.0235456 120.9706508 216.909475 117.4501073 305.3449869 126.0466373 122.6740851 162.373437 254.3515879 180.4368221 307.3843623 255.0554046 129.8504585 103.2018612 48.35408106 137.9676847 19.99330902 80.38516467 112.4048985 406.8418838 147.0115155 82.72276118 77.91791283 140.5345239 273.3941388 115.5819439 165.4283926 47.65602798 209.0970749 114.9216118 40.73053014 238.8338977 312.7839411 108.1395703 525.837716 173.8146797 126.7219237 187.157281 115.3081022 316.5669675 173.0610273 55.01866767 338.6440873 332.9779232 38.33903852 86.21205864 201.8112421 163.4659385 192.9378957 255.1648348 83.02128396 168.2482199 146.5875814 376.3959476 269.8591202 68.18251426 58.54128575 244.2265144 246.3358849 162.4255879 271.9785482 105.8200699 156.2370615 232.7319465 103.0524867 124.5138984 632.7773958 324.9639475 278.7430381 82.53496346 68.05302012 161.7418344 124.9489132 61.80224814 39.71953408 315.0724091 80.54150129 37.50690502 59.02420316 21.43802468 128.8069117 85.78815844 242.2394751 158.6703081 365.8849287 107.6084375 127.7889128 85.19489949 153.3547142 210.4193899 209.6683668 275.0255295 68.82332179 236.9667199 heptadecanoic acid (C17:0) 159895.0235 68754.28095 94065.8903 27808.84404 123490.847 53648.92503 36908.81281 52848.00114 55307.77225 59851.53576 85251.20906 153499.3686 46419.12048 70258.98056 91016.53455 56712.88071 128783.971 91116.71719 56795.42423 57637.92402 79752.86607 75101.71926 63341.10789 57169.65688 96371.3884 94530.59441 109613.7674 101012.6279 78920.89832 132096.0759 70980.75334 51480.62663 53642.51822 131592.4234 115793.6082 58486.70495 91749.44665 110737.7782 166022.9975 77514.60725 59769.26227 76079.94899 104359.508 182605.5219 85387.00757 56410.31384 109021.477 151992.9753 119963.3735 58380.06394 97097.99877 139302.5386 85608.93453 74540.29062 146571.6053 67225.95646 121917.6072 102643.0442 106147.9554 57918.66942 111456.951 147490.2244 107179.4866 104980.3411 113585.5439 118134.1432 55413.15825 115076.6309 92569.78534 94463.36002 83932.91652 234809.2366 88806.83427 43630.16237 64840.24732 93685.57101 77997.7981 48163.86439 66444.36702 96922.09835 86775.31546 352805.4449 50996.60565 75387.27226 145945.0879 87954.08592 116429.1078 60771.93211 89290.61046 172383.479 108530.5477 104812.5975 77652.98551 51724.06267 106603.8891 87832.27321 119350.3399 85223.63611 176077.5536 55308.96423 94211.025 82484.77825 76453.10815 90704.42397 94587.84988 66014.78317 86522.98262 95952.32697 60466.51932 115911.0151 102545.9674 111990.5124 67141.96716 82052.36884 101726.396 100599.2039 64909.23592 78403.04275 72048.59204 102531.5219 61371.80673 91426.36265 89297.31328 63408.96396 264183.4191 73703.77138 92495.54605 84911.02301 77961.84151 120564.4184 67483.69143 94024.0549 111785.9192 119847.6111 101726.4459 107988.0445 57868.49139 107889.9514 55777.74856 98706.10893 73017.78688 41795.79257 85529.78779 153828.2158 69248.52736 84940.79903 178011.6073 hippurate 97730.485 91158.49986 98920.00066 93590.89971 96341.18242 90807.97127 86623.46565 90626.53519 88055.69395 106596.888 98733.2798 112090.0829 110760.976 102825.4332 98144.4296 107350.8578 93709.45428 107876.1755 103809.2563 104787.6684 108803.1409 99244.7761 109512.6242 103754.8673 102911.5874 101214.6719 99506.55035 102676.5164 98995.46892 106569.1234 114887.085 105585.0646 112390.853 108659.8498 106211.8579 108065.4881 114088.0899 102842.6524 121625.0123 110144.5007 108046.3044 105432.5725 105131.5868 105660.2435 111128.5186 104831.5762 106950.513 113877.5139 109405.2224 116720.3697 114297.5057 110997.7758 112284.319 108682.4888 115754.4631 113569.0186 119966.4452 113213.1304 108116.7631 117771.1486 113468.9591 107512.0759 110132.1368 115302.386 110393.5181 114146.6723 119020.3379 116773.3758 108854.7158 111106.5535 112706.9581 103731.9336 103692.3915 106638.6256 106028.1833 113067.2968 110023.8499 122224.8786 114069.6055 109872.72 104369.8661 101734.9834 110479.4501 105107.4895 112451.9189 115614.9427 110551.201 113349.8014 107071.972 123404.962 115570.042 113548.8922 116172.5726 109282.0626 114716.0129 108019.5692 114408.3635 113365.2468 109683.938 112031.1084 112652.617 118831.3912 123623.6299 121489.3058 112869.7229 120960.9477 118634.993 118060.1509 115633.193 111351.5695 119391.5265 108608.7672 115121.8903 112463.4666 113331.2915 113985.0049 120110.9084 118938.9406 140309.529 128187.4713 126880.2342 116006.7543 113044.0674 108143.8215 104408.0803 124434.7264 119566.8272 101935.9595 121995.7422 106657.6832 98030.25477 102343.969 114821.1242 106614.8164 100038.8897 132120.1342 101136.7004 109089.0024 119895.878 117793.0623 119340.3203 104699.7384 118273.4663 117162.1379 116294.1642 108890.8059 116978.6644 histidine 634.9875212 510.9423167 1040.669229 783.9023576 1169.478434 416.0634402 992.4840311 1045.039146 1000.85474 650.21413 2249.484331 862.2405672 634.388399 447.1712109 1428.744111 820.8653603 647.8084223 396.7990686 835.4346682 939.3323954 2030.419064 424.9364433 602.9881501 725.7864992 1337.730122 2130.862518 2900.111849 537.8895288 2109.705039 1313.94898 884.8433271 423.384514 811.5006764 1847.026297 1774.604176 828.3492522 4979.725035 1790.797034 2965.06621 597.8666377 684.4151844 1233.299741 1065.09229 1814.52034 954.2776235 1402.88826 1070.631631 1099.982223 712.9835184 765.9412736 685.3650324 3991.599535 1451.241545 3508.751578 1015.626145 643.3208805 699.8976268 889.3275084 1194.704354 596.8056464 973.7381145 1065.901495 1056.205257 587.2693428 1546.438146 512.4186047 677.7842634 566.040161 970.6320399 612.3165413 657.1651121 488.3040279 469.0766849 632.079436 599.4505951 989.5073815 707.7639335 1094.632386 875.2367648 941.534657 751.2639505 1265.983165 510.3258461 872.8606629 2944.546127 679.6776266 1389.250518 1107.05592 4836.75505 3106.050513 933.0371088 886.0953142 1059.051627 1743.15464 3135.691771 1123.586381 743.4785514 5233.213667 1121.606598 913.6083109 1612.230199 684.6982457 1053.340751 679.7064463 2613.993166 779.4710385 1605.782943 994.4369476 1489.825877 819.8119462 941.4606187 919.5566185 1019.838283 777.7378647 441.3502179 899.7786418 663.0665254 793.8483684 1191.907812 860.5697986 597.7973816 1271.781095 709.5829159 1841.262403 1930.317147 1568.186437 1571.950133 1000.215217 1070.313116 824.2147151 639.1490116 731.6818633 731.1704268 841.2805928 1010.401578 768.9513292 910.7445878 761.8440173 1218.455558 641.9616493 743.3758088 669.5060081 870.9685083 1169.053235 842.4756531 1511.46411 2134.640606 homoserine 6530.101774 5352.212779 5492.248773 4232.697117 4186.275925 7480.722704 3266.277161 4009.249248 4820.599969 3997.27817 3409.66126 5826.403394 5633.575764 4844.078598 4276.511105 7118.428617 4297.267317 5042.724235 7018.311125 4835.443092 5855.036439 3696.017179 4205.59953 5661.448372 6698.380139 6250.031063 6408.080067 5423.783346 2548.736121 4473.534682 5369.351928 4723.69458 6584.029051 5940.590107 4624.215574 5688.73637 5986.239889 6829.920436 4008.68227 4458.368608 4209.768352 3921.223563 4391.621484 3800.775977 3913.80932 4462.314332 3638.398247 4035.110825 5012.677921 4171.434987 3477.687864 5233.722258 3216.906515 4792.661265 4581.672412 4856.992473 4754.909844 5882.171211 5607.028518 4691.211576 4091.661432 3840.201544 4747.069415 5461.328374 5169.087975 5147.537648 5961.030633 4643.321154 5445.832739 4052.367663 5971.759828 5144.517551 5046.635156 2520.135478 7346.015812 3720.454131 5365.63755 5284.404935 4869.623315 5113.275868 6342.981395 9829.106758 3747.947466 4918.735981 3835.632209 4719.445484 4338.960274 4019.327312 5026.697109 3224.766979 4517.784142 5120.345898 5747.745525 6195.976661 5025.448041 5359.319129 6251.164727 3743.759514 5440.164384 4281.750225 6105.129744 4142.256593 4124.031109 5740.398684 4949.870086 6243.134206 5947.330611 6157.451735 3986.812074 6298.70037 6543.72487 4081.907047 5296.400055 6701.579526 4874.711428 6922.629135 4731.740963 5777.610396 4178.929585 5972.409326 6712.374175 7506.516711 4731.885994 5467.674276 5252.057878 3002.397864 6383.977154 7411.513142 6933.898022 3913.613382 5665.629319 4789.621351 5574.410243 6154.905437 4955.652457 5514.14735 6443.424425 5038.880609 5944.110216 5800.306441 6070.377316 5521.980821 7057.44808 6373.529451 4321.041781 4736.951031 5026.790443 hydrocortisone 2355.636182 1662.775075 3578.590146 2980.93 3822.073994 1644.703215 2539.569193 2190.714245 4264.015337 2984.362979 2461.70188 1851.186957 2189.057366 2825.890882 5760.349998 2794.281821 4023.17518 3271.252476 2697.823222 4139.09399 2849.933333 3591.977191 2942.670103 2517.522388 2944.574931 2483.865536 3144.250838 2014.641972 4418.032113 2674.75552 3190.055327 2908.149895 4107.699346 5598.997511 3822.007581 3619.058489 2426.22246 5597.167391 2758.88205 4021.055194 3501.329709 5239.187458 2951.395634 4540.942291 3429.516809 5583.581522 2395.599897 3168.903308 7597.831668 3449.067118 3220.936904 2993.759442 3183.650936 7239.071681 4929.838722 4914.438647 4246.062801 3429.619997 5044.566974 3408.990196 3601.45319 2620.394744 1677.683396 2777.783339 2661.00313 3212.804604 3003.68907 3938.87791 2813.587703 2630.713782 3273.206684 3651.023499 2323.886448 3400.077149 3746.650404 2808.200892 6413.144582 2900.00641 2436.923662 2539.075031 2194.059464 9017.063125 2846.364645 3013.709975 3652.96548 4111.80223 3747.409107 2463.170073 3627.416321 2774.024292 3246.276384 3256.336002 4253.189168 2137.234964 3377.89637 3621.992433 4477.376654 3285.982091 3969.283349 1998.161585 3502.27951 3840.135594 1535.844865 3475.725112 5897.140682 3262.004061 6200.468111 3342.972042 2081.284741 2718.003779 2264.07829 3940.766555 2414.341833 2681.675354 2021.351808 4736.447898 2850.371673 3316.29196 3580.712329 2428.354304 3641.683064 4371.568208 2821.728966 4421.074134 3831.398664 2646.756728 1818.75125 3694.224593 1905.934754 4413.297024 2211.603748 3312.450386 3690.149723 4990.361063 3846.299782 4149.43632 3229.106718 2564.695639 3432.705709 3704.636729 3625.818907 4037.457231 3497.793056 5810.303224 4271.548497 2649.031244 3210.062073 hyodeoxycholic acid 288.9046294 792.124652 370.7532088 191.9558704 740.9751665 190.1685409 217.3214485 1892.934957 182.4192249 457.0915679 271.6308584 529.9874558 290.4459681 202.7748547 1912.537781 739.4524194 1269.346197 196.9297805 1907.199116 590.6966455 237.3692615 190.1595781 2524.831416 706.6642309 440.787328 326.8671503 286.2036438 286.4246715 339.3318786 99.84020131 1299.94282 307.2049031 630.2343778 222.8749178 2101.03415 531.8112572 772.7106798 182.1179827 175.14378 717.4785171 1046.331991 266.4021687 99.26884709 221.6871509 986.5197944 833.3426315 512.810407 1680.894817 625.4260128 489.2898594 1418.979677 99.95941591 926.0104619 697.3159839 374.3911608 1414.419447 1023.755821 2291.370258 436.304072 387.0141346 1467.810504 924.2608657 769.1989423 418.5853797 221.6424876 284.3483936 469.9294302 835.4901469 779.9250905 1864.932298 106.2323531 536.0087074 562.8615314 333.3419029 4550.313711 170.0564801 1081.448305 1444.759041 516.7763746 85.22168813 313.5514829 484.5789938 1977.094826 119.3363415 679.0738584 172.2428528 3982.716171 999.3404429 554.8486304 553.1234053 1835.49345 211.6344508 399.8347644 165.8363358 2912.169641 1270.762795 660.3294463 444.3967851 258.4961228 558.8638208 280.6974261 557.8193711 703.3954556 443.3444114 359.6005515 309.7206147 811.0527145 298.0721645 1017.773878 3619.193536 611.6468773 27.27208591 403.1636186 1322.062392 3493.892173 575.1052738 696.2649841 418.3282562 253.902367 850.3939701 1138.091194 453.5150051 395.3872015 176.7211217 851.8890167 438.2371101 274.444898 556.0101799 961.5353221 677.4180746 819.4766984 505.5605113 232.16869 1571.976305 404.2223926 3486.807867 319.7232725 633.3968971 576.9173749 1087.10931 343.448237 2650.521125 1361.370805 289.2341254 200.0605195 1147.367806 indole 1063.751989 467.3151492 4011.638631 1592.684639 1443.113293 1315.366319 2027.393579 830.7432488 2669.383615 2070.965264 420.9537433 898.6364832 1019.246274 1301.267679 1649.247452 1730.124736 2397.040156 921.1185241 920.1058517 1741.071587 2198.608765 2136.849174 978.6257919 1297.754394 1717.660168 1244.410811 2211.891719 1280.794382 2313.9497 898.5418529 1550.292751 1180.656228 1003.049577 2297.991053 3353.068087 1773.72075 742.4071346 3298.555771 1104.439424 1952.462845 1977.950971 2246.776423 1330.704215 3289.669884 1149.126879 2412.215679 1168.255436 895.7244078 4778.586696 1990.592037 1112.34873 2606.519598 1888.81575 4343.731022 866.6317375 1836.433336 3536.061802 1777.931377 2974.289916 1610.55841 1552.998462 1152.615582 456.0879095 1126.559394 1216.395651 2029.177499 1861.502793 2105.857206 946.4339684 1493.465714 1290.140942 1057.09737 1275.555652 2017.497628 1379.99314 1518.427105 3381.395319 670.4751138 1816.343699 1432.900121 1238.775183 4285.251257 1115.481148 886.212216 1649.649154 2122.136892 884.5136522 1050.182335 2247.988063 936.0275594 1201.143216 1066.917694 2112.704288 884.6265613 1479.097777 1961.867138 2180.755246 1584.687059 2075.270365 994.8110127 1501.457302 1304.979612 1058.373067 1691.877098 2283.473747 1050.203796 2795.778686 2690.454983 702.6189363 1516.091041 614.070824 2669.126483 621.0638084 1042.26546 993.9086779 2481.561341 877.9983487 771.9055498 1608.244632 702.7495953 1456.17663 3189.000892 1386.452728 3093.568599 2476.722451 940.4717825 735.918611 881.748552 776.455644 3224.483296 1667.669402 2446.076349 1491.997264 3955.179472 1654.160792 1805.939724 859.2565546 743.2378161 2034.66985 933.6407297 2225.518432 1881.89262 1669.395181 4387.091585 1728.345521 561.771976 1007.671287 indole-3-butyric acid 1783.558397 2059.782549 938.5991609 621.9084708 2965.832493 3274.470585 1372.154055 2661.704435 6008.964754 2035.928578 12817.93451 1644.638179 3935.847325 4844.476847 3502.046974 1417.64208 1407.437777 650.1495834 6055.880979 4903.062844 1412.755625 3499.084813 2844.837582 3831.331482 70407.24238 1927.967584 1013.226369 1948.83256 8202.038755 4202.393937 3249.444822 260.6827752 1917.287445 4865.065217 850.8221829 11064.3238 1242.077081 5494.612539 1313.635402 90429.19701 3999.131875 2381.304374 3583.184835 4864.705095 69955.0962 3353.941154 1405.280453 13052.2124 3943.481646 3564.212355 1264.869727 10348.39772 1348.401667 2846.660121 2244.545161 7662.065631 2480.213843 5248.005064 2340.229493 2924.587576 8009.767703 6348.02777 1453.898929 322.6837016 246.3243467 1438.649215 2727.978952 71586.01127 4158.688807 17306.7586 3746.022668 2021.180034 2192.189037 17628.13205 1862.572438 1930.596178 723.6654519 910.188871 1579.000605 9395.426566 2798.050544 4636.378914 409.4600118 2897.394023 4303.929802 1341.870185 2472.250484 1586.486136 995.3640399 11039.93225 849.7493155 5292.358285 20332.75163 6626.297229 567.3575717 1647.735874 4032.598784 3835.422066 535.2070149 4452.292095 1888.702866 2135.128422 1618.133222 1707.552142 1462.489565 3273.694574 784.6353226 1807.592576 917.1757978 2637.56053 3684.393884 309.2207515 9649.820426 4402.844822 205.4783207 3763.08688 684.8989983 371.6722057 4323.414921 3201.581804 2566.828306 1155.606908 1574.446647 3069.607607 3085.347955 4399.819616 7113.384052 2311.590199 1192.152766 2909.345691 1035.305096 1972.325393 5948.756961 4252.171609 2745.627788 3411.322489 3374.47206 4168.864368 3823.189001 2095.646455 2062.933746 421.9917114 1416.309324 2848.913296 2726.69019 9277.881086 576.5454653 inosine 2700.237661 1130.080734 1302.201017 591.5874223 1312.616172 1426.730251 191.5487413 3026.388985 794.3908373 5137.329597 962.1175983 173.4421935 5520.498414 1401.582383 1613.514735 2206.287503 981.4020475 1862.288904 5042.782545 2181.255986 1097.289994 2505.411745 743.608541 5485.850248 132.275998 765.4194228 643.873702 3482.599885 1500.22926 1106.675376 1431.711516 2914.337096 304.4916249 434.5334892 1746.152934 4016.215429 4259.380157 1468.219289 1685.152978 1362.188061 4660.20458 578.5327111 716.7715738 3859.13253 1279.547083 1014.255251 6544.824156 1356.789839 727.9840877 287.5366653 4467.255052 248.4938369 1337.744456 202.0811178 817.1355957 3247.601729 354.9245376 3995.841013 1659.206892 2145.805899 617.2817469 3628.839029 405.679151 4437.612902 11535.60156 2202.335195 5599.601575 4799.630794 1640.902804 788.7534912 9423.614912 998.2123402 3358.127474 2888.676896 395.0973331 840.2071735 535.8519476 2955.809126 532.102189 2643.830017 586.6774313 1808.935661 838.1718962 860.2833411 4093.410789 4085.934325 384.9247641 3773.359962 1969.440025 393.9393382 2051.476408 287.2447658 3666.741752 1286.46052 2253.00681 1802.489406 4083.215334 6282.126242 1085.040539 1772.559049 3337.34158 3094.527897 3991.661575 110.1537223 1907.736564 1323.371894 3407.390158 853.9882474 714.2568672 1446.872103 519.9526402 1886.16497 3623.275236 5258.405558 3294.287164 5338.624453 8335.348689 1480.104488 1461.4135 8202.623348 5847.251635 390.2818218 2084.226103 351.3321802 421.9156628 571.2621418 1346.596069 265.4343622 5715.707538 456.7590982 1684.347267 1070.553183 887.0749979 1536.137834 1194.965175 4621.20418 2794.961604 4586.404713 1240.122168 1568.724846 334.3335271 2169.572214 1566.00124 932.1279351 4147.056914 1772.145157 2611.222287 isocaproic acid 6419.18302 4658.404274 10179.52088 6282.553069 7063.917285 5905.416381 7850.336185 5729.81741 6968.414691 8222.732471 5144.484353 5483.291171 6162.242004 5434.163396 6915.01638 5084.536289 6244.708208 5866.683014 6270.94219 6033.625453 6013.831391 7868.202792 6724.208281 5852.130989 6979.181557 6707.660462 6824.058931 5922.21338 10168.80744 6793.718928 6375.939044 7252.953364 6889.6032 8891.406843 9037.378058 6853.46302 5475.740033 7419.563689 5776.517395 6485.070422 4486.443787 6414.744492 4294.818774 5151.790306 2959.389965 5172.876775 3180.437259 3827.439501 7163.269184 3654.74837 3494.537268 6369.198375 3338.587486 9370.885808 3665.788241 4076.240059 6941.248414 2869.979867 5462.435911 4478.329326 4574.867772 4260.47694 4380.096595 3654.495555 3695.439041 5639.452079 4653.42599 4794.792814 4630.459246 4311.08774 4136.767119 3406.10683 4746.402914 5332.252426 6078.583899 4197.482049 5997.264211 4159.311555 5857.17191 3659.511466 5627.206939 6231.74049 3623.231849 4605.267401 5386.971468 3903.439983 5486.045265 4536.903631 4260.948857 3651.336328 5187.570391 5148.871335 4446.88697 3723.654249 5967.253922 4366.07091 5284.465026 5288.807447 5333.942258 4025.864859 4802.753282 5444.7425 5472.658428 6608.37095 10890.61663 5416.240179 6032.943311 6506.796992 5985.020971 5258.873414 5629.32038 6607.944526 6058.161865 5846.881181 5650.463204 7159.530813 6851.160077 5818.287142 5745.08728 6319.263886 7364.776939 11542.1403 5236.403564 9556.227386 8233.407984 6400.496305 5133.70648 6342.821566 5781.343571 6023.101853 4544.594814 5283.848334 6983.822779 10033.78518 6933.907097 6955.797448 5584.85942 5545.829713 6548.831479 5815.622228 4850.175527 4121.349231 7364.467494 7995.398011 8859.259578 5384.817196 6031.668158 isoleucine 44174.74112 44650.53163 53843.59997 25114.97262 38382.24958 42493.33321 51951.43213 35667.26061 54907.24321 46859.2284 35706.37442 51262.47224 49968.29638 38336.26735 60188.96691 47215.91328 42584.22207 38755.71423 42441.34614 30596.20728 36198.8775 36831.03423 32063.30518 33656.72948 45413.22469 35408.42735 47253.90699 27754.56027 40924.09586 33880.39255 43630.63425 41080.96977 24741.77228 30581.70031 40998.09447 28074.77632 34324.04025 92958.72072 32545.33257 32234.90372 27133.39859 30311.10992 31437.81176 43194.29672 39490.15434 25616.80994 37089.66916 23479.18537 56225.86086 35930.61483 40466.8515 50208.84058 49199.59365 51462.01147 38834.74522 47711.00885 73497.25287 34049.32457 38687.84878 50273.48275 56681.90797 44246.85168 32033.51568 46115.24017 52047.0165 46327.79668 43613.33721 46206.96034 27184.40872 37075.20844 27920.25812 35606.51659 42026.99501 27279.13443 33072.91344 41329.44101 63550.00217 38238.55798 40217.91213 29909.02337 41602.66513 60874.7348 39642.97569 31496.11739 34834.81431 42868.5709 31029.18143 41762.19898 58692.10471 49358.20711 46312.81693 32140.929 41949.4265 48412.80944 42049.64182 50520.78615 31046.52654 32337.24234 63618.7226 45954.68552 63194.12467 47666.89179 49371.20841 50339.56599 65040.59639 46484.12187 55475.99883 51707.03031 47493.11634 69714.30611 42613.52465 61880.57618 51318.36057 46287.72414 49542.78879 43939.83122 44052.67104 42275.93293 35325.93139 44068.05172 41378.34184 69810.71114 39091.82266 35253.35393 50429.22303 52324.07197 47097.7306 43967.60952 40971.74918 51896.71153 37036.16412 44466.43782 36184.05299 41793.12791 38918.13131 43981.20424 41505.84896 38740.17893 40402.91413 23089.16155 32137.46786 34650.91339 55748.04362 62248.91317 53556.01153 30876.75156 30539.16674 isolithocholic acid 1072.600425 1546.356848 193.0796215 113.8240059 321.1776969 1919.432694 147.2252421 883.4231303 1239.996514 490.3020314 4057.693086 225.4883616 1236.033158 121.7882878 700.0014749 87.98544427 319.305663 105.6453697 443.2134016 1829.70462 612.0147517 228.0739644 66.0580331 2124.357899 340.2542962 77.84757138 334.0854158 645.3656794 757.0816531 1415.022134 168.5278802 240.6091188 838.6880581 188.560205 309.8030692 1692.856431 190.8695393 2249.480341 277.2933699 2717.378391 531.2098102 495.9445216 435.2149168 655.8961957 338.0472164 2266.372003 533.4803487 55.23581186 1046.847571 557.3277301 104.5256083 371.1651401 873.865665 407.9075328 661.3350896 576.3686512 347.4743475 423.6446056 962.3584377 293.3789555 190.6057509 309.436316 102.1440144 113.9441581 193.3870855 257.5997125 490.0907801 576.1655198 253.5479556 460.0129313 853.6349354 767.937716 315.9535478 779.075691 190.2750282 321.0638009 220.250747 762.4285108 453.306798 1585.914661 708.1507829 977.0388318 261.5551366 901.9598293 188.8847069 451.4856816 538.5066383 367.851578 411.8576086 510.3130741 696.6234597 630.1157799 313.8708729 307.2043672 320.7980724 339.6488965 1220.169879 1710.058314 328.1394847 1039.4553 259.8323697 1687.302745 37.07431293 858.0386061 304.3257672 1197.116946 151.3491481 2411.914344 169.0768988 111.6428321 353.3231013 237.7562259 1642.522948 1408.640707 234.6816188 274.7811211 190.1651479 289.3791787 1989.357051 774.425072 1062.553857 774.6548911 145.3035593 247.846662 1244.20763 832.5077999 123.7934886 3053.87242 701.322368 1284.67585 712.9436783 998.8097644 906.2228916 665.0566053 292.4752724 1583.63522 195.4581625 1187.222741 247.4561151 1023.014771 596.9208711 327.1061449 128.2103251 1826.457974 2407.253197 2103.607303 298.7356508 isovaleric acid 776.9369084 1734.701538 865.7053285 341.697036 3932.878453 1090.895906 832.6516903 14785.7974 8636.535711 585.7216346 3313.281536 750.2861563 6384.433787 1810.637053 6377.300953 6309.303463 11503.61627 440.401321 6283.517004 2293.530295 8356.76098 1949.33244 1802.086615 2745.276929 459.6215464 869.3309219 1098.235833 3961.85246 1589.41096 4343.455356 440.0978524 260.2498053 7202.639282 6304.087335 1138.108344 5450.429038 396.6341073 8079.359333 163.2955391 7271.345874 4763.198114 2181.948765 1020.018767 1119.394401 2647.484023 2721.401887 1032.383277 2225.774739 5930.462907 1602.473973 559.4273657 7972.502896 1038.909882 2186.062947 966.3074269 3870.051556 3562.121298 1929.41964 2648.664546 1841.043298 1099.343223 1621.249006 784.2288985 216.8016309 275.6874221 2243.029963 1585.321502 1317.260194 5675.593363 1284.217757 3273.584712 3606.184065 2006.731328 2194.037563 1730.0596 1531.995771 490.7176508 6383.766371 1624.213576 937.3008716 3384.204668 1478.543644 365.9179913 1121.652045 669.454562 593.8782735 5259.281033 1896.495717 1683.020122 3021.431502 932.5825456 1910.625202 8409.622183 495.2466519 3985.33147 918.8345996 13896.41488 4803.292562 300.5607331 5064.846996 1450.68193 1191.674783 203.0876081 2762.188396 1831.438201 1957.49175 1017.629544 5082.733537 1278.376543 9770.028752 2147.5571 491.7682012 1051.604869 1095.519865 304.767696 2417.701636 438.6026502 13512.6003 12632.873 989.458347 5419.324995 1583.067363 1635.31963 3459.852752 1889.135842 4993.244712 5812.425571 5494.115345 3798.539195 1375.222932 1746.538719 1560.880825 2192.303472 6195.052634 4398.129371 12578.89066 711.3410547 3641.425871 1728.707361 3581.534927 3164.73584 993.5376897 6517.725682 5901.89434 6845.079887 3934.59595 8195.112174 lactic acid 107682.5052 94177.75143 98653.24049 63050.99133 107968.3924 99303.04031 116293.0357 114877.8151 118071.0115 120216.7745 106110.562 112182.2596 102828.1308 49939.36766 133289.7303 94254.2132 96164.53632 90438.89611 59406.65356 94874.504 118636.8069 103252.0499 115729.7531 86651.29653 78678.43236 99237.34379 110832.6342 66547.49368 112311.3671 88209.18563 91257.63465 91791.99681 65659.51928 90643.59698 86879.20879 77932.3527 93864.16893 109044.0947 101714.6499 99446.94653 99048.99987 108948.1501 82524.80574 106666.8348 112400.6273 67258.35595 103969.0011 99588.03619 119263.7954 94412.05666 107594.0492 95264.37303 108051.5714 109180.1496 95244.73787 116021.5197 119318.0565 84817.79833 72485.86134 103064.1222 112699.7244 112941.9581 78647.46485 93323.59596 107058.6219 95747.7938 97219.70208 98278.71113 75908.00357 79514.96123 52410.63498 100656.9607 95055.90286 98924.4332 82384.35924 84040.08795 92503.35507 113191.1159 92130.21172 57209.722 98909.5428 126573.201 107010.8672 101604.1425 95865.33537 91366.94514 69530.13461 106633.4054 93947.26416 108659.695 117863.9244 84021.38343 77842.80033 97736.00782 102860.9198 88889.03311 75123.7711 90825.37807 137688.6061 111949.294 123485.8431 109558.443 104473.3552 102251.3584 131570.2679 90732.27712 106191.708 91166.35112 110569.9219 117561.9515 105096.8008 138258.5679 83166.66002 94490.70394 118239.0082 82988.43872 85638.03099 91068.26173 87524.50835 75940.29932 97501.19596 100190.7619 106279.9086 78821.10565 123578.6713 154615.5404 97230.59842 89984.20039 69841.29864 118829.1883 90485.30237 104657.2453 89781.35401 107356.4062 65845.89024 98962.9625 62298.29964 89368.83396 92316.65036 94867.89894 88792.91089 83414.02259 92674.43382 92316.04997 85398.7112 89651.31547 86118.86721 lauric acid (C12:0) 116541.4676 35529.61684 37364.86283 29300.82138 50641.39173 30461.93951 33790.87363 35521.96545 33932.45541 37239.64084 44454.473 88220.13975 40466.23599 36767.11066 41138.92922 32746.02863 39447.32138 65066.69012 26346.2861 33699.32353 46354.1585 30836.06126 44031.97613 47481.42513 96964.98038 90653.51621 71432.02044 41907.19988 43620.48677 67955.92229 66903.98894 38849.18831 56056.83274 69578.88871 79711.2371 36503.92652 69758.92577 47966.93218 87331.7346 41731.66433 104001.8042 69666.36009 128051.4805 196870.1566 153259.9017 66702.42413 104060.7883 263417.8376 116190.6155 58513.74305 107021.3733 197101.7901 118032.6807 97487.07259 150430.5246 122966.5037 114887.554 105367.3408 98259.37356 114918.225 123703.98 129607.274 117888.7405 83367.53237 113839.9216 78193.02578 73727.8538 95907.98406 94352.66421 98646.95006 122750.1517 212807.5654 70156.13956 76800.27808 102878.9262 63219.98219 78608.15326 57517.38959 87071.51696 68152.73797 115447.4784 109942.8219 105881.5704 92764.77896 162955.7758 74275.97639 90659.33923 75703.11306 56055.00517 110644.249 128879.608 118591.2234 97042.57837 93293.27122 86639.86522 119215.1765 108663.4302 120884.1329 139321.3642 58403.76033 137490.125 87835.14971 46065.06031 41810.41148 86876.60203 57199.28613 48984.04467 75702.06868 53322.10511 43981.4028 45304.348 39233.24219 46358.60124 78404.91535 56177.46218 81302.47634 42851.42024 44077.50875 111733.7566 55971.81773 48831.29072 53482.75332 51439.87466 30433.67646 45228.44022 54313.01391 38939.61178 37928.3288 234055.4238 50512.9778 30235.09573 40374.03676 68778.56901 63391.5126 60869.66013 60593.61257 49692.06065 72427.83466 58591.55507 61431.1704 35511.00609 28678.33646 45469.95392 58168.34804 36499.31288 36672.50826 71570.24499 leucine 14.82028245 40.02617352 30.38597998 72.30118398 11.12039307 65.38575471 35.39749597 29.43775082 25.35250612 77.08209005 29.48858526 42.91591495 20.85712797 13.69966137 2.311514949 41.88395461 29.0017253 14.29215671 37.1644181 44.44478826 3.420810469 12.41710634 12.71754557 23.21246329 57.46651971 0.089132428 47.34763736 5.126941728 73.47579785 50.37597481 62.11719594 29.05208979 47.40997907 41.66780247 20.94086294 100.408818 69.1499485 44.35059116 11.58469358 3.290330639 10.91711095 20.29704902 30.14006179 21.15795928 76.91601599 21.90216557 82.34717642 18.00597382 55.36607743 25.94861351 8.728440602 21.3629041 9.774306317 23.66881897 32.5605841 18.72978077 76.15862391 25.08123239 44.2702394 19.11005154 24.27603077 60.7432831 21.06669812 1.980730483 15.9420295 16.44928783 29.29490021 12.71366969 22.56144875 21.77112726 48.83565565 64.17635616 97.48436184 31.92235887 38.94496316 22.74738569 82.63561558 73.98132518 7.827658546 10.07304086 56.98522758 102.396937 7.856299441 20.49050396 7.834538462 34.02802371 7.154067584 26.51448621 13.89185389 41.12071673 43.06010136 33.53635406 18.47743859 25.20317532 116.8924712 20.198797 10.06909827 24.88862991 108.8707564 37.35266609 19.14420773 61.04398418 41.25016862 155.7586846 52.63345633 8.337375113 97.50752154 22.17798847 59.22350838 25.54725789 59.70410801 50.02477435 12.58548477 106.6359899 58.09960829 11.46731902 34.78346366 8.666319361 46.98198164 33.50686265 39.63206353 27.61420139 66.55995333 33.95548599 172.3269944 11.7769826 37.92156831 47.1097412 38.61382793 82.08539956 103.0526123 25.36758114 linoleic acid (cis-9,12-C18:2) 10398005.73 6652879.858 12525133.53 3004609.224 6844480.353 5666551.53 9296165.48 4092305.529 6873048.806 7930682.815 6813767.725 13605904.2 7531683.018 6855475.737 8025615.056 7748568.869 11312232.81 9396180.105 6598370.085 4755760.825 12303277.38 8704258.351 6246371.946 8027432.384 13509795.49 6598800.324 9394792.495 5982858.135 8758178.323 8562285.673 5627215.037 7928405.986 4939394.485 13568135.4 11869082.42 3812497.69 7578251.751 8486021.639 7912297.578 11379177.3 7260965.889 6691649.907 12895147.16 10865819.29 12307749.6 5633426.271 6714829.695 8171444.64 11578309.13 3211043.015 9744640.063 10699904.63 8202605.623 3632012.984 10494404.24 9907418.138 9210597.952 9832145.593 10489170.63 6980979.128 14871122.62 12864692.64 10109639.52 8162719.568 9791079.089 8190514.406 7388879.676 5326932.222 12071094.08 7948124.608 12659001.45 15033806.12 4741087.476 3842823.799 5289961.027 8074484.056 8825360.281 4840266.962 6304545.843 5657590.912 6877694.863 15609262.71 7732160.068 5914558.979 13683789.45 6870322.484 11765267.69 6604530.745 7429221.723 9228398.512 11247166.76 7441708.66 6001387.129 7459534.209 12923037.03 10087695.55 8777975.903 5504281.743 9767663.591 5672742.869 15637410.82 10766404.72 7355666.507 5436180.342 17345640.97 8537162.837 7303816.031 7546321.468 6164168.804 8380409.618 6513396.22 8193506.027 6870906.178 7505947.734 9030686.396 9257976.215 7829765.235 7352365.264 8897243.925 10225356.34 7153913.839 10393242.69 8441156.069 7463177.074 8024544.48 3635655.988 9012969.191 6226559.54 7452867.173 7832435.591 6628347.405 7230391.498 6988380.327 7477461.163 7335403.936 6768191.906 6835983.191 6383614.479 8784287.452 10349217.11 8322834.866 5629899.948 8835382.8 10915235.7 5138307.718 8350135.161 10842762.21 linolenic acid 959999.9891 559159.624 1198879.009 314791.4442 912117.5972 528260.1745 1027250.857 367552.8663 516601.483 608728.7546 437431.3951 1640672.341 888921.5899 488744.2967 1070768.081 476651.31 1022295.826 942042.7817 644691.7465 481924.5084 1261595.086 437277.8082 620065.6442 773555.9534 1502152.192 594049.99 717341.0829 397266.3603 1003838.225 411492.8762 782801.0747 709628.6145 603995.8525 1445287.7 1356341.255 419180.8458 529867.35 770128.585 851272.1032 839520.3983 424074.0168 713987.2903 1168007.713 949739.0587 777105.6252 465217.3749 466681.9546 697677.1408 601283.2577 305859.5345 701762.8549 1156718.164 1126420.178 195938.001 1240497.568 862961.7855 638224.6383 671026.4142 1066554.975 515803.1487 1854097.568 899807.928 687093.2656 956211.4071 599412.7212 346735.0644 638847.2942 793005.5889 1279869.535 789555.982 1209278.519 730645.2554 336589.0849 299628.7737 539535.8882 833980.9253 676251.0193 623402.3704 430286.2893 403602.6179 751262.787 1137364.943 783540.0964 594840.2677 2065133.174 449072.5292 1272694.11 606367.3584 636911.7759 556868.576 1352054.468 878074.5495 644281.3404 725134.0338 1440976.5 804315.2264 620978.4946 555831.915 778429.3978 483264.4858 1833547.568 1268595.677 502197.7421 665934.5505 2124381.474 466748.7502 648129.7811 684090.6996 639714.8507 909471.9732 764173.2753 509541.4603 605603.3861 675993.0098 763165.7135 984946.8146 795708.3951 790624.402 930231.8701 904659.7417 799813.3375 796844.5236 736047.7693 464681.0703 931567.1419 331743.7241 716808.5688 730574.7511 791199.5362 849157.3552 410461.3829 629809.3691 718111.3974 552148.952 711860.849 485368.4493 751382.0964 539971.1695 747665.3924 766856.307 977899.9156 479362.8577 805458.1496 1131547.205 600742.5934 635567.9294 895315.6539 lithocholic acid 1041.361305 1816.389825 359.3825528 181.0607399 751.5696111 1083.345614 260.9733151 253.6151787 751.4351717 371.6425494 2297.927582 241.3329658 1292.883308 414.3059666 326.857022 284.1183143 482.9188765 345.7411053 186.304868 1279.844964 896.654719 134.8059116 135.1175194 751.4072059 143.7781294 107.0040385 77.90436085 349.0319798 822.7144468 1148.839346 198.9307541 105.0839249 632.21104 239.6755471 184.6716627 897.3470828 121.8888205 1031.161727 288.4536934 1725.868743 574.1505013 553.9826155 745.6728904 382.906613 407.473571 761.665108 471.5122831 122.1773545 794.3053226 293.0955333 386.2010142 177.805946 646.3197697 351.1688518 527.7658863 1065.963038 257.7643448 288.1761589 1074.363904 330.9949056 188.8857428 883.7649491 429.1372444 176.3153315 278.1326747 726.6544198 1151.364086 733.7919587 541.7045501 591.9967318 1173.95995 2337.647716 588.7425261 1174.523071 387.0658473 443.3139461 266.8074129 733.889863 180.1402019 1492.657093 661.9012538 844.2815132 381.5777572 639.83853 204.8200646 452.4068641 430.3086133 111.1963905 347.9108689 729.909599 276.010344 1127.129073 691.1298209 224.0036907 339.3943676 105.0504697 1157.072046 2433.902868 192.1545149 733.5287045 464.7181076 888.0478953 164.9189147 1005.45466 394.1578067 1142.217803 366.3617541 1175.218154 203.0808542 287.9030026 407.3078369 226.5775691 1162.718041 623.3249968 88.9881888 294.0715418 216.9404012 211.0266902 1575.691568 992.9991259 971.7430903 862.5506548 419.8111256 520.8027161 638.9629429 839.9886268 197.4427052 1890.204154 582.3178049 579.9071939 328.7808788 454.3440363 541.0462218 1153.376764 218.311488 1681.660168 230.3789879 660.7745214 510.4954316 1317.069293 448.5324317 590.0129158 265.2462932 998.1665095 1731.552365 1884.859605 215.873017 maltose 78.70007191 8.107696747 279.5332712 275.3119257 78.95262141 154.1946403 220.6636004 187.4680094 66.78122991 105.1307704 79.69112493 478.9485325 36.1299707 111.4484203 84.58163177 146.0919572 104.4287155 215.6936122 175.0620236 63.77304973 125.6542979 80.91692759 41.8472874 102.678542 55.30085997 189.3586521 31.10385863 128.8693087 179.6451638 83.02175889 26.50346151 1.779033148 88.25615333 162.4269671 124.6539908 43.34949495 138.1983629 235.3221786 3.340594277 98.46207548 120.4027033 70.60735623 195.0584336 225.6642326 75.75097544 766.87765 670.8313051 209.5285999 18.51541079 189.388676 131.7384567 48.60713769 119.1385591 127.2917257 280.6580278 84.65288651 107.6819905 27.90971011 178.5531628 37.20103493 86.08079971 172.2336986 28.810063 31.6626036 86.10098502 60.72197187 152.2463769 155.2263441 55.00415534 42.99032572 76.76869749 207.8741292 92.55470638 145.1732435 88.65820856 38.97979953 110.7476901 29.00644601 60.52899893 103.0166031 21.99474335 79.18945634 81.94224482 175.958151 148.8407925 103.0310926 8.781764371 52.73969435 243.8631175 217.8766998 207.1345774 118.3941787 48.16374151 185.8643453 87.64056685 111.8851768 34.14674015 117.632087 284.1186554 58.94256937 8.821418674 160.0290231 146.8828763 66.99682398 141.4060562 140.0436971 32.30149987 630.095918 103.5782926 99.72654386 56.89463836 92.03326723 97.34849686 116.3283676 20.65695431 370.9851468 65.22321972 32.84234997 115.5607708 68.17302047 4.024991675 171.1990607 115.5651176 57.57939048 86.6734606 134.8332304 41.09411842 319.6250275 180.359573 222.0225724 112.0168092 43.97104878 215.6344203 30.20100491 144.4842217 113.0709191 289.5668473 40.04852024 166.8954233 66.42270193 119.0930362 225.486619 159.9778063 436.0310879 mandelic acid 2518.887767 492.0853528 1596.89181 380.6329655 394.1866463 671.2284719 946.0295492 732.2946837 740.617816 1088.73849 3065.521901 470.8829994 773.0982391 392.5801064 2652.967769 15966.73216 2318.113862 3147.82278 2975.554748 696.0837811 7465.258987 831.4890956 703.3313631 2964.479171 1136.912309 8785.036732 1454.400658 2197.729756 1089.621037 1519.0891 662.7826232 710.8138659 1743.272359 1145.817718 906.3135037 592.448991 967.3505849 1954.333126 1479.323095 3968.769228 1413.357849 715.4161054 952.0303348 817.1277253 2017.750958 382.9348903 388.4690811 3657.171884 3572.634329 2603.074186 678.0554192 1250.495787 690.4888668 3316.939864 738.1585709 539.9049361 1404.979828 640.3535969 320.581796 834.1068329 648.3463696 1278.700056 816.3521756 651.3396988 654.5333397 1838.89639 1227.031766 504.2845733 1179.819622 507.1974485 1261.938943 683.7298572 1509.250972 2955.694012 1891.278416 313.2378217 1890.926968 3137.353578 1181.447445 1534.509203 745.5821959 804.1357611 554.2915138 1417.833001 495.4727098 4880.287054 3813.043144 2626.092543 851.6994424 4220.908361 1613.606162 1536.856397 1461.435473 1104.14042 643.3794795 660.5458872 408.3809038 1327.530209 1043.565687 928.9710887 1209.263884 899.1591221 843.6526104 305.8334982 848.5363442 3294.718146 2590.485528 693.6218253 718.0749982 4175.291425 2609.023901 1279.597569 2906.837912 2467.246142 2986.141651 5060.181344 3475.687777 1888.773815 712.2011218 2905.698621 351.0303334 574.6242937 3114.432355 1115.302732 866.8256328 14226.05228 5227.511401 4300.911615 13537.7482 7261.433476 459.5267979 3860.480137 1844.503736 2068.067005 651.606376 10274.46374 1850.645011 2925.451421 748.462824 1879.035177 4244.13328 2099.469889 2336.604663 2288.204353 12013.23766 2702.699724 3700.129726 murocholic acid 4712.55037 76219.66053 13807.36295 9562.113293 8474.543566 7096.903734 1930.622502 90679.35108 5996.457554 12719.01897 3920.895417 20024.08223 6938.381464 2841.400598 166386.0818 74181.84518 9635.593351 14831.57874 49984.43887 7025.918228 3403.335981 2095.032245 82955.02546 6712.068825 17950.83491 41803.17021 3427.215833 8769.502164 16892.87227 5446.558982 62088.52996 3742.248446 38289.89378 2287.53277 84357.47536 9426.268867 56403.32334 13595.88866 8117.506966 21677.10411 5822.828764 2936.627677 5809.142706 3708.501719 73735.65259 6003.567381 16545.39346 108823.6825 28959.00468 17271.00061 81582.20414 9896.042238 51407.99683 10327.47558 9071.900361 30035.13919 25073.51525 58251.32153 10118.54296 17017.46136 14799.85316 31285.56857 23373.49939 9712.724915 4001.828617 12898.09725 22000.00283 17838.76813 32596.72705 11824.2684 5077.451081 9908.365656 10702.07206 9431.393524 237424.1895 8654.538647 26321.20433 100987.3763 4339.759405 8097.796997 3220.32053 8146.196417 9861.980503 2817.312269 31500.92515 7599.718496 87729.54937 49380.76381 15297.95027 57981.21425 46399.50196 6322.081125 4354.919258 2049.17381 248459.2396 59187.30839 3112.84748 4124.269186 712.8122518 7683.299385 2667.629572 16739.38916 20953.46397 7326.0426 9841.661832 4356.316265 58341.27895 6902.099269 20560.32059 76649.9215 2082.935371 10443.05689 3499.664976 17426.04092 49059.36336 46615.43978 3602.747171 68719.69578 3795.782485 4982.372561 10589.59713 21077.23129 3488.517997 4042.441578 7427.048934 13671.34884 11523.19648 15634.88555 40600.33071 26404.6513 12657.52898 19531.09014 3963.031596 5649.695255 99051.22528 15010.95623 58783.30689 8985.15076 17039.33591 24574.1182 7888.908179 4799.707085 271684.6523 14765.4155 23563.04385 7247.481559 16611.37439 myo-inositol 84838.251 58623.97426 67106.23611 12909.79854 76397.14788 47498.03645 112054.3915 108352.1725 112238.8613 110799.0511 70891.54526 93029.73128 76525.04448 8620.112809 137865.181 41380.98053 67037.62058 35953.79082 10117.13088 57897.71558 101073.8764 71746.81866 96332.99151 42200.9713 32867.33517 65595.37177 85144.51618 12492.67656 104180.2548 55919.81328 50764.82841 53734.09649 11379.08207 49428.43999 38630.79906 23023.58472 52151.7669 87806.67101 70008.7122 77179.02793 63251.00275 84147.73836 35042.27158 76870.91018 97846.06276 13336.49187 103078.8219 60909.67648 127739.702 70002.75875 93118.8717 46598.82683 97757.72901 85334.45631 56715.58467 102297.1441 124259.6249 38637.60421 19820.01199 86222.88056 89092.55226 108886.5518 32763.28863 45724.07956 84242.97116 58537.70352 50993.5928 51660.21707 22019.7202 30368.24806 9085.848766 70269.66987 67396.46797 76919.37865 28027.38868 38206.94917 51386.67684 85215.37901 46757.26188 11333.16473 58118.57565 107979.4349 80653.54292 61635.92332 60634.88076 39044.43599 15682.51584 72659.87264 57816.15357 103355.9446 80648.71939 28717.88884 21255.66478 60055.06361 58072.32109 42441.17779 16291.95506 48930.53671 171513.2844 79998.79604 113752.3569 84539.83518 63032.72841 60624.32003 121612.8944 43470.90205 69953.3368 39642.23182 90741.78504 88584.20945 70395.65694 126033.055 27605.76129 39136.95343 93263.57737 26245.48598 34002.06701 50267.41166 50766.31096 19915.49995 53090.5128 54991.10823 80128.31646 25738.9097 114775.1513 177868.8872 47696.95519 34176.44368 15814.26638 117015.234 52999.75763 85007.49584 35773.74766 68364.01764 10339.79 50906.24375 8776.680428 35756.65962 38689.50071 57420.7968 31557.79751 26445.82688 44148.62989 47230.93059 35796.18478 37558.73705 36071.41848 myristic acid (C14:0) 399821.4219 124443.3543 248107.2027 115366.9356 181665.0424 122134.7344 142784.9664 126449.5206 126522.115 131209.8892 206730.0806 549954.2142 146436.8554 145004.7329 314174.5782 105148.2361 249512.7879 305640.2452 85575.43372 116311.7744 210958.5775 156542.2608 159546.3164 151106.2151 292753.8769 213757.3899 254798.5779 134739.4161 205203.8529 243679.415 258170.6122 156020.6429 97322.10565 275889.5531 380063.2081 117452.153 243071.7354 250382.4603 371295.0191 188039.445 152216.0319 155547.3186 199437.6454 432533.6495 267589.8907 129153.647 218720.4627 391976.8755 268395.5226 100878.8855 241430.0684 491233.7559 245046.0328 186890.3324 338028.6456 212882.4799 199978.5058 229673.2309 233330.1665 130105.4129 405880.4509 310384.5279 224107.5762 249814.8737 459649.0083 190602.6026 148689.728 291158.6701 254935.8711 208263.2735 262108.3206 824343.2764 152297.2899 91433.65842 164763.4505 195803.4232 160222.6964 111749.9097 97166.79679 164244.7075 205537.9671 545521.6813 155514.259 169094.267 585955.7817 121554.0816 279916.2294 157969.1226 203421.2763 426603.6142 327841.115 176750.1229 120424.8977 109127.3789 278481.6817 216281.5414 211106.21 163439.356 317334.5568 104605.6201 473120.2691 240590.6499 197932.6285 222522.1181 380320.7683 124313.0181 283529.4984 163011.4359 169990.3729 188847.7848 118232.5234 175804.8573 195350.5092 192714.3991 215487.7869 271835.5923 198407.4548 143905.3562 280893.1744 245635.8565 199422.7379 170977.5874 179584.1378 159047.5658 240559.9603 182126.7761 188519.7757 117619.3335 214419.1996 213877.248 127980.1405 170928.6943 229441.8483 162828.7822 146752.9552 138131.1574 138719.6015 179502.0934 159485.7517 233453.0093 246093.99 74905.80686 169761.603 279810.1448 163106.9748 180237.7346 287877.9564 N-acetyl-5-hydroxytryptamine 6935.508283 8444.920546 14447.64963 5544.041005 8388.749453 8497.778241 4929.832889 8563.34623 6434.115962 3416.067072 7544.298483 4945.26803 7924.013489 5355.081165 10377.06102 8445.219571 4222.366144 7489.066976 9531.447823 7154.684962 5858.658526 4334.598088 7384.495097 9061.925026 6457.984655 3954.711197 5960.901659 5955.16347 5332.656163 5495.698105 7219.912388 6042.431335 7730.882688 5233.266656 5120.07724 7485.642324 7400.864248 6560.61421 4297.326585 6186.290286 7157.19918 4902.079274 3672.110849 6449.966959 11373.90685 6110.483574 8274.979282 4966.904035 8821.631475 6753.718207 10588.47123 9154.461098 5897.965326 8580.108249 6200.597599 19645.51588 7097.111333 5797.550126 4992.453909 14527.90037 9473.463979 5515.022527 6575.95302 6939.773654 9143.877879 6663.335943 9012.081893 7965.031627 4936.667807 5587.098971 6701.96366 7372.94681 5899.63679 6290.407702 4975.262676 5203.68354 6689.439533 7431.367094 6004.94772 3700.494344 4208.789117 6231.289377 3828.937534 4201.997587 7523.564797 6681.047616 8244.84265 2090.928336 7964.944968 14315.57918 7648.868565 7455.136454 5624.500783 5557.647768 5758.544188 5911.365295 7164.378824 4578.011608 9592.721905 10274.51706 12582.63479 12109.32529 6970.8851 7210.014673 10920.55348 6605.075243 6649.603733 8306.581607 9843.236141 7429.298018 8308.444855 6856.112819 8733.864483 10689.3607 6927.897408 6755.226278 8754.840747 5099.073074 9018.044165 7160.409056 8691.74291 13084.43432 7663.743212 8729.47741 7684.822173 11369.54868 5903.493224 6928.631851 8761.712079 8712.365067 6077.362475 7394.863771 8950.739417 7891.662283 5436.003092 5392.501378 8725.034996 6346.113987 10596.37152 4673.824063 9251.862206 3431.85012 6918.448866 8365.022706 8235.056552 5426.720137 3469.007346 N-acetyl-methionine 328.9347235 493.6144988 324.573987 454.6774255 622.9444934 436.7324613 589.241435 533.050483 334.8121361 492.8781805 514.2165573 494.2123744 534.6358835 564.6862113 485.896179 611.3707434 274.2315513 428.8525791 410.7869274 682.2220851 513.4486482 270.8915345 518.6717414 446.6986917 609.4724408 475.6236001 209.4615649 314.2591272 636.9880803 650.1142941 557.0051343 484.2959566 317.3173609 464.2781913 500.2688097 768.0866035 538.8290857 483.5293946 763.7518166 356.6782675 387.210998 749.8214997 283.9519531 667.289145 464.1317871 422.9427375 525.5434142 359.7328262 404.552162 547.2090217 585.5042003 942.4893523 603.2921268 765.7934747 459.554149 555.406413 583.3595942 478.9651492 528.1162576 554.203124 406.5627248 591.2598738 723.1595891 445.4757058 722.2511114 368.1326216 519.2628851 386.8120333 420.3092463 436.4204368 657.2622477 562.5703909 629.7338875 260.3403625 344.2132698 645.7051831 275.6594057 512.7935061 457.7973344 401.5945511 362.2864868 577.1306529 632.8551402 319.7781701 477.3917165 618.375751 832.2460444 478.7614746 571.4221528 804.7154019 683.3220778 619.1910234 636.7616117 527.5879006 480.8297018 227.4930745 560.1497503 793.4332256 687.646205 523.8333354 792.7003385 704.8297518 569.706869 338.01654 762.2999835 551.7363992 501.621748 611.4203221 587.8291081 278.1545624 514.5653476 830.9261149 589.3640163 786.8711973 752.4257196 402.3733114 643.9953036 667.9452265 999.5979762 567.9814707 790.5436201 810.508202 631.329734 795.1799304 1192.873429 715.4935764 706.4217374 727.5908536 512.0461236 304.7503928 283.0250126 293.8877027 768.7578826 781.2370854 451.7060115 557.4647269 651.1074251 538.8185041 578.4092818 459.8424708 795.1429427 576.7991821 589.1712464 527.8678575 708.4293036 557.1949317 561.7197699 N-alpha-acetyl-lysine 2129.900491 2367.444159 4565.391678 3692.940311 2500.559152 3445.07992 3823.629368 2751.802391 5158.415761 7473.999413 2876.254726 2437.862351 4396.741959 5104.328175 9431.175661 4173.718357 5101.879825 3530.358093 4221.897679 3581.065603 3407.175424 11455.16518 4525.494079 4518.541612 3463.552242 3129.126977 4227.383394 5516.646266 8535.161198 2283.454156 5830.385137 12937.72553 2931.761561 3508.457965 9235.71309 3148.93121 2606.283447 42084.59356 1957.313347 6734.01771 5410.606103 3868.394215 3150.566595 6226.934615 10706.84963 3092.018004 5728.903469 2571.31258 5472.017017 3198.763791 2820.920993 4431.285631 3113.411908 5329.620368 3878.118313 6114.684634 6774.986487 9987.90513 6917.879191 9777.142504 3917.332279 5086.998114 2492.754162 3591.536543 7543.244128 6080.961715 4119.219417 5488.824441 2580.834468 2896.088447 3680.539742 6148.371615 8189.393187 5631.870058 6082.303261 2808.947203 4621.427101 2061.780762 7060.156243 5522.190768 3296.201623 5006.556329 5510.99548 2708.894601 2847.832709 3577.747345 2582.588572 3199.530132 19047.80463 2965.328781 5646.456012 3578.896505 3738.725896 9624.723909 4268.927264 8818.000971 10565.29077 6088.2011 3115.170763 2955.468866 3903.339163 3613.180967 6994.429634 3825.884335 8088.584387 5489.048892 16881.08787 5171.715122 2303.853666 4960.839791 4495.614943 10260.6889 5056.338423 5425.72928 6001.718776 4775.63662 5594.945942 4074.067891 3041.731989 3211.778695 4146.716741 5687.187876 7294.863609 4081.296465 4863.313418 10799.76799 2343.474066 4188.494812 3262.596879 3405.869327 10114.58489 6760.22711 4482.970911 5327.096189 5105.944362 9601.899227 3185.34823 2472.699805 8867.825178 3582.256276 4422.370799 7945.38805 5448.914128 7179.388474 4831.747852 2252.641583 2500.543773 N-alpha-acetyl-ornithine 5178.243964 7712.427403 6210.402623 3150.81213 4048.753376 7468.479528 9275.189708 3099.295939 7908.592796 3330.709027 3641.666678 5502.344694 9611.37716 5391.144224 7767.555816 6088.959197 10352.76852 2983.606428 7716.130988 4482.645859 8937.44801 6042.613521 7301.586746 3628.813511 3302.175473 4502.655782 6558.757775 4251.987603 4379.64812 5752.238628 6127.615261 4701.161273 2971.502456 3533.483935 5967.034489 3506.816245 6444.936222 20731.29491 2451.397192 4906.46353 4490.501438 10652.88747 6619.986855 10461.0608 6005.22018 4542.318581 5861.829128 3275.894338 6040.081769 5842.997061 4206.97147 7684.272859 6123.023462 6830.204476 5877.656994 10691.01876 11530.3685 4521.368101 5116.012003 5253.178495 9590.751773 5323.369903 3261.1978 8532.169008 5595.182834 5042.395853 5470.341164 9623.281212 4948.864902 9817.292829 8553.955132 4470.303726 4548.637066 5552.827658 6509.007054 10933.01139 10076.8859 4297.586545 8179.146965 4787.368476 7990.017199 8360.318819 5037.529857 5655.103834 5360.785901 9909.35951 5353.529285 4849.041492 5711.383657 7948.525577 5693.613713 7932.184937 14362.18094 7460.694789 10381.57687 7732.476572 5463.079545 6672.619219 7089.968594 3868.262392 10044.9622 7104.954341 5245.311507 7877.048705 7711.269134 6700.990966 6514.388689 8309.91211 6315.668311 9096.563216 4201.113982 6718.534103 5048.668235 4165.841618 5133.986935 9601.236695 3343.528277 4548.525402 9366.524926 4229.115336 8176.563735 8785.060065 6555.66129 8979.827452 6964.66704 5974.018798 6969.564666 12416.64851 5021.294614 6614.650881 3899.192848 5256.921865 5733.200271 9338.226509 10197.66938 7575.460175 4550.569343 5896.543649 5447.066519 3837.233218 5082.885371 8540.934412 8185.63914 17912.43096 13748.69682 4331.985264 7800.690503 N-oleoylethanolamine 960.7353592 656.73707 1305.719558 389.811436 972.8408151 682.771094 774.7750934 816.0094101 656.7466253 879.0488168 443.8436029 1235.861449 1129.346702 992.1414285 2607.788455 1184.833774 887.8682221 1321.043935 549.0587865 586.3455143 788.7318083 884.4167495 584.8057352 1016.380651 1001.371602 603.764137 853.0654557 1155.642598 1253.853599 956.2325536 684.2731702 675.8801653 523.5793657 1073.703535 1122.622429 579.0592109 1069.756958 1786.703522 776.7865254 1006.736936 1085.861646 854.9621206 1065.329286 1201.147795 2795.462985 945.025291 1559.170346 1261.872907 1621.691595 719.5876122 880.8289648 1522.434949 882.7811947 932.7457631 1439.481655 1258.233717 1741.082119 1611.780486 1049.69343 1323.076606 1595.33232 2010.914993 866.5626497 998.7593193 2462.868028 1038.014189 1360.820221 1172.461898 845.5067299 1326.896811 1377.729628 2408.079436 1081.62075 825.587669 943.2305114 1039.068883 1002.855701 601.3613393 746.9981586 1210.337238 505.8424944 756.7360565 919.9663851 1100.041068 1114.87768 850.9669791 1412.55507 911.6396105 1179.887483 1145.675563 1249.024301 512.8460316 589.74003 1599.041942 1659.988054 794.4567079 1507.576443 819.8785829 2486.970711 827.5476061 1832.71925 1623.508378 1066.696827 1442.523911 1917.918851 1424.652763 2691.412272 2158.701693 1607.125617 1439.708472 1300.400282 1712.949038 488.0296575 1268.01755 1037.006927 1217.647304 1636.935423 1144.538907 1585.743842 1099.842561 1158.495001 1173.708413 748.6067321 937.2018451 585.8758765 921.4635895 806.053642 848.1306001 1402.793546 1398.44525 954.0479594 1176.246605 1937.514056 929.831431 930.7372624 1639.544133 1068.532695 432.8192722 1302.038801 974.3297909 1094.708697 790.8497396 797.0630658 1052.325891 1442.404177 1024.33304 1442.50034 norepinephrine 890.3875964 1237.229517 1207.510484 760.3884123 1039.211349 945.143648 1420.84438 1165.543195 1205.961933 987.4471963 1118.928722 1147.264658 1124.546147 1536.10168 1559.786528 1060.076684 1324.955555 1464.54002 972.943185 1196.792649 849.4785193 799.7422403 760.3336846 608.8700793 1442.197587 565.0284099 1146.760308 1081.425637 1112.02449 1503.710226 853.1027584 1269.833659 1123.630957 1212.359801 943.0380856 644.5643066 1111.660466 1323.067389 1320.776744 903.4973579 863.3163086 1012.811238 665.5394917 1256.425781 982.8861799 1215.738924 616.6367021 1043.053783 453.7138371 1087.930239 1162.265783 1268.324734 779.2378568 1511.137451 703.4717077 1156.63402 1729.065315 660.6622104 808.4548743 1231.414252 1076.527094 776.1571057 1221.862625 879.8145515 988.2017549 948.0817097 1190.979267 606.315054 1278.224494 1079.859674 971.5515977 712.8642145 961.5634459 726.485659 1076.109917 931.3970099 988.8895761 1343.457613 1063.858086 851.816559 1143.926797 1105.466047 1103.344444 863.3364134 1008.67925 592.4538383 1053.845456 993.1867676 710.2891945 906.3579652 791.7162678 865.3563689 1060.024743 997.8233757 1155.317241 757.8155578 752.1251627 859.2729949 1387.859255 1116.75024 1078.076193 1034.33498 736.5145369 805.1238766 1109.701875 536.7469792 525.6846709 738.8543394 794.003362 894.631202 1111.974834 625.9278784 968.5353638 1139.626582 1113.119165 1025.793738 700.8266166 772.7888013 1335.102868 1346.229701 941.3261721 1084.459635 551.2859902 1178.001236 1722.952284 1156.2007 836.9980491 871.9820484 1270.06635 1171.411708 871.836483 1021.624096 778.0561019 938.6082734 945.6000396 1136.528453 974.0995341 1113.785416 893.5863137 1249.353234 893.5372496 726.6508047 687.1533662 1385.937956 1050.680817 638.0516695 1052.162622 o-acetyl-serine 1499.582442 1448.370989 2064.82372 1707.643909 2647.979715 2315.893754 1881.369853 1174.192994 3397.555742 3707.563149 1605.381422 2060.987691 1782.582475 2428.135706 4263.737108 2135.043972 2458.200383 1599.896625 2435.329241 1612.261093 1484.631454 2719.951667 2158.735247 2300.320924 2100.247249 2891.809647 1398.924254 2241.107458 3393.963113 1311.098085 1704.410937 1925.919 1836.87052 2693.118599 2804.499502 1178.853318 1506.260802 12199.09978 1385.193628 2281.033709 2792.353875 1700.14457 1820.905803 2677.33814 2566.124133 1568.17598 2677.86868 1385.837946 2338.530787 1911.372662 1985.505077 2713.821133 2728.219709 2364.59279 1975.224574 2453.638112 2301.953834 2978.851482 1983.518363 2299.33154 2587.850883 2011.54106 2235.168296 2080.398599 3065.101857 2042.785664 2111.381627 2427.425909 1452.203696 1398.035684 1662.349059 1936.562724 2703.946307 1927.357592 2311.426392 1951.791185 1681.633183 1500.420174 2660.36447 1988.139219 1760.008842 2129.203706 1930.192767 1821.863614 1918.702302 1685.538796 2425.574727 921.8818728 2454.019641 1942.265249 1436.254685 1514.661846 1605.457416 2425.926905 2508.970558 2658.423187 3097.17303 1582.131185 2557.7903 1268.068 2927.230096 1344.003783 1257.323441 2234.085574 2497.110609 2041.754845 2767.665592 2039.963132 1766.269014 2375.523406 2356.007918 3064.632776 1362.026332 1704.14639 2396.456855 2593.819281 2169.060939 1848.154197 1727.536134 1337.809385 2348.488198 3077.102244 2199.086657 3888.766997 1712.673675 4039.662209 1666.801883 1347.118738 1900.880183 2389.211236 2476.018807 2432.615022 2289.870148 2168.214929 2110.36115 2564.662501 1546.649365 992.1053025 2767.420199 1110.389426 2986.079332 1901.514146 3258.99849 1747.176817 2277.829854 1073.517162 1090.764377 oleamide 25275.33577 49470.00238 255749.3559 189593.8858 6966.141462 96275.0345 7499.158954 6570.258053 7258.654212 5080.604311 58904.78666 6042.366197 25443.83513 231566.4012 155954.9421 8149.421217 5875.260428 5540.89344 6043.101827 4147.564956 34560.1559 7424.087262 192247.2444 6088.171044 139303.8749 133007.4992 7584.738416 100345.1263 12029.57634 58861.86681 93474.38916 10106.41016 5524.200343 4913.325958 84147.73941 209561.3517 4966.321685 30210.37567 9614.293749 65923.55518 58903.63445 8776.154115 5352.590688 131268.4344 8011.295723 5589.444892 74833.41749 10204.4314 7868.911997 127067.0894 8124.545273 104886.7362 12748.95453 125500.2131 108462.8664 191746.8441 230529.1332 208314.8413 7019.743431 8153.576197 93244.75505 10006.50758 7429.987919 23110.07838 5469.710633 7632.829974 6820.105155 5044.445198 21494.49463 111173.3085 5879.813893 69909.57378 86373.73116 4781.234661 144168.9277 66635.60053 5794.662347 7768.266857 23338.32856 61017.4153 8203.74239 29073.1921 118220.2241 171542.4054 10813.10788 5621.433648 6004.796949 9048.728711 11356.95764 77140.74634 223795.498 200374.9746 28694.2555 6325.931404 112676.5493 5565.05458 7545.998512 8724.599393 61715.36144 5382.975382 35210.76218 129868.363 12590.06134 165365.4567 9915.859124 8377.654083 6345.625723 169261.3755 87905.55922 24380.30237 5350.017893 6252.370117 8519.873668 6648.106813 74869.56632 185200.2802 298607.6058 209662.4496 98928.01851 8228.354704 8620.696009 25607.54812 4725.396998 153953.2662 109755.5684 6541.693776 78472.69479 5355.949661 6298.643026 28560.40084 8413.537097 18486.96897 121634.3932 38373.62233 115187.8871 7123.418781 6841.057778 4745.829329 6610.478635 5415.555454 106428.5603 6007.881799 32394.36683 8317.923342 5529.425883 6494.662399 7457.403344 oxypurinol 1810.171594 1553.119729 3526.834634 1019.958448 2509.49539 1320.205532 1274.014225 2362.665025 1709.506881 1859.443169 2480.351321 1916.304122 1698.540695 1016.06066 1357.57524 1790.201383 1080.337147 1694.333645 1664.450804 1547.082795 2309.613665 1285.230904 1813.002922 2654.825056 2478.540183 2199.317357 2441.63044 1670.66447 2710.03694 1540.799299 2014.69756 2200.467371 1402.087055 1818.991085 2484.068594 1176.375527 2131.855403 2195.31071 1837.576342 1275.825945 1525.049895 1285.902538 2077.69754 2669.825706 2860.004448 1542.197879 2327.202066 1725.470236 3154.0182 1491.120599 2694.042606 2707.523124 2486.214501 3262.806324 1889.775717 2163.645131 3746.269613 1345.398198 1605.013471 1467.781297 2643.190677 2922.327851 2205.263482 1805.2518 2894.405544 1573.946782 2648.397002 1708.244344 1649.176963 1079.29613 1238.154683 1341.389938 1913.143023 1532.824402 1472.935874 1684.651767 2786.25297 1431.768078 2544.552104 1255.88428 1741.994991 3679.006717 1721.628857 1622.975867 2681.646729 2527.610171 2020.223769 2778.135833 1979.829 2091.521207 2162.332348 1804.286777 2038.759096 2067.777848 2794.09253 3336.735768 1642.067376 2464.1031 3400.892375 1931.025928 3374.407719 2632.994839 2430.738537 2167.222043 2720.261272 1678.606293 2605.837737 1684.126051 2055.039541 2108.223943 2627.27784 3359.106561 2393.757666 3188.082656 3547.139936 1828.290021 3111.69934 2240.769896 2318.942579 2471.51552 2552.291991 2080.822581 2185.561985 2674.288922 3189.252006 4107.265672 7414.07383 1608.04301 3087.919577 2660.415221 2634.205957 2647.310589 1818.495145 2984.086422 2404.409106 2557.502716 2182.080203 1892.832986 2531.583137 2303.810191 1818.5026 2100.173612 2659.154783 2602.2218 5046.379611 2274.401466 3070.962082 palmitelaidic acid (trans-9-C16:1) 1076128.336 371780.7446 1064887.882 202236.3243 411498.7783 285251.3284 267658.0266 252979.0007 362715.0412 298924.785 718085.9946 1140318.573 520467.5324 435740.6082 724726.4241 297467.6384 833291.6115 877950.229 244466.2019 313508.7156 774570.0716 603617.9413 503507.7467 510935.89 1088815.289 535668.3533 703933.2073 437430.3327 570252.7917 642093.8029 509779.1191 606199.358 213152.2746 893561.4384 1620745.89 192963.1769 647829.9753 688168.2044 898664.2805 579369.8693 433509.6381 419601.086 747546.8728 1428076.742 1118844.42 318806.0493 463532.8662 1257662.347 829943.3332 208670.6226 434605.9943 1481992.457 411075.8844 426754.1215 1142808.872 645711.345 588252.1798 956958.8836 551827.3947 215567.568 1587894.293 1268141.131 1137459.014 668034.7962 1051648.667 480181.8932 499839.1327 428261.5456 1219757.541 790570.6049 1217505.73 3022421.116 371594.0841 139965.7214 491743.3402 619579.2251 572186.5566 199086.6982 294743.1896 395937.7291 336017.3056 2049080.045 633398.387 581753.9409 1715971.132 238415.575 662250.6066 505634.1059 434694.8302 794608.1472 719114.217 442981.4008 325704.7421 459688.5526 1018716.589 497543.4107 766119.1504 555915.3903 560470.9502 226160.3449 1449005.481 985352.585 516992.0373 558324.0591 1339783.508 451812.0267 911230.9741 568962.4946 413429.7152 463828.1297 286659.0368 646303.6341 378852.8097 553099.6938 611243.2361 994613.8058 781750.1176 364185.1957 1072474.966 869932.0614 915380.608 603305.5324 662313.9617 469177.7273 534788.2197 264302.559 457482.8629 297628.7805 309843.3972 535777.4558 478132.7084 506955.0821 567694.4033 349130.3291 309253.0431 375656.6235 515329.9407 361127.1229 417503.1634 1032913.55 739663.4032 115675.435 397833.5579 695701.0435 535254.689 633740.8015 1121162.528 palmitic acid (C16:0) 9438193.818 4954803.604 9818723.372 2967489.018 5546108.756 4129873.882 4722978.992 3937366.873 5976666.043 6049802.92 6096677.235 11378963.37 5920306.531 5223970.332 7169502.718 5454483.768 8817736.041 7392284.334 3998130.928 4239756.232 8559339.097 7119902.095 5948821.8 6984699.281 10625519.36 6798572.096 9485886.212 6776057.571 6553912.322 7407174.663 6012106.915 6815725.872 3974174.624 10138923.36 10129038.4 4289720.69 6518873.782 9401753.128 7927749.284 7714902.071 5756425.775 6725830.321 8533234.295 10304306.51 9946582.253 5790912.219 7769305.181 8944838.313 11020140.03 4428729.225 7893135.118 10551218.03 8126450.198 5785055.974 9411810.01 8646597.589 10562822.35 8476551.288 8470946.021 6108647.868 12595194.81 11677087.78 8372420.634 9319976.406 11149770.58 7897294.993 6429387.04 6312596.88 8854181.302 7754526.938 7078539.503 12127892.97 5973413.196 4481120.291 5549341.248 8505312.536 10764582.58 4548453.541 6242373.006 6040886.106 7424234.448 19094897.93 7327790.266 5792751.475 12131190.46 7212360.187 8544944.212 5822814.876 7115367.387 10434065.3 10266988.97 5893902.222 6311306.607 6270506.815 9657699.39 7907773.967 7769497.479 5385775.641 10089041.6 5338296.295 12474550.7 8665356.576 6706547.237 6179108.112 10943746.54 6367887.252 7991897.525 8456749.952 5575631.674 7130214.76 5096660.956 7885297.052 4757143.572 7679003.99 7271219.044 8250887.988 7498064.11 5330953.266 6867729.334 8392271.722 6389796.897 9584181.262 7227574.071 7043891.299 9546703.393 4979384.749 5906291.492 5646614.662 6365300.611 8424439.791 5584897.307 7004668.549 6587123.606 7698976.187 5550946.3 5686046.951 5096411.979 6588064.267 6728559.418 7495607.4 6613898.236 3867515.959 7224029.334 10722036.74 5788142.755 6323296.35 8257048.334 paraxanthine(1,7-dimethylxanthine) 5174.972187 4020.167457 6591.588488 5919.458601 7942.218105 5001.656846 16874.77456 6496.337409 5470.679097 7002.881907 6043.479257 13756.15911 6790.185556 4246.266577 8630.338629 13752.12787 5637.590675 5059.910544 6589.603323 28254.2748 3309.319554 6256.567828 3625.433468 4314.645686 5248.505536 8133.171227 30164.49799 4948.659482 5767.246528 3534.346281 5919.891304 30382.84203 9169.241063 4697.586311 9464.871651 4688.314163 4123.034443 19150.87546 3363.724883 3798.892086 4033.64511 7266.745157 4754.392052 4872.07115 6697.76877 8532.630182 4548.578291 7548.789547 5940.51136 6039.000941 19149.79845 12963.95003 11088.42741 5564.20191 9393.817669 18968.21663 6669.116163 15808.26868 3510.493576 4549.996304 12471.456 21191.19367 6590.029991 6980.004369 15345.87421 7253.563367 7502.606072 5288.986901 4405.029831 5426.992163 5391.575994 4828.478751 10169.87996 2988.112217 15143.28271 4650.972373 5321.103471 4352.111884 5153.21516 8464.088809 4515.316146 5756.165382 4217.254059 3121.966731 5095.043265 4480.202476 5393.648477 16027.98936 5461.334166 23472.80387 5051.295809 4287.523373 7665.724571 5037.693045 5813.200994 13482.42698 6877.641388 4572.715745 8144.632718 3813.338514 7276.371071 12744.03626 5153.193819 6181.618964 17842.46401 8944.731939 26369.68752 26237.76273 5288.587025 7815.038171 17783.47837 8526.50278 19552.4756 8568.59417 5452.769417 527746.4131 5583.09808 5210.221289 5891.579817 6884.898828 4406.729368 11685.02769 8084.281364 10366.01453 6576.669652 27391.85411 11515.17184 8226.660075 5936.947578 6560.327249 5112.411884 5836.369567 5325.056852 5995.90261 7957.605336 5862.089056 5789.541714 5261.290513 4516.978604 3892.226043 4668.145886 5532.470218 7549.611359 6679.585587 5494.97993 4981.171346 5569.265593 p-coumaric acid 2325.570913 1532.244116 2549.1879 1699.238691 2119.459346 2772.109228 1766.53902 1987.17154 1968.812861 1971.492187 1702.499788 2635.475795 2515.042538 1890.772971 2667.179284 2415.834624 2385.565969 2703.897249 2576.323575 1569.136476 2656.268424 2028.450546 2097.925526 1629.326289 1994.456006 2308.369023 2553.41398 1716.796635 2341.686339 1097.795531 2195.345094 2368.78586 2281.454091 2009.012929 2145.638412 1445.818788 1508.716131 4968.573133 1890.611791 1801.68574 1874.255359 1673.484796 1501.882289 2227.07225 1884.889982 1240.439692 1321.740951 1633.539268 2557.391536 1238.734776 2127.214003 3004.803584 2237.891901 2775.825379 1876.582102 2153.012785 2792.870623 1902.167453 1736.573051 2349.750935 3160.485659 2791.519774 2130.456548 2716.081615 1631.208182 2525.712292 2942.377528 2350.807463 1833.33791 1976.262948 1569.388127 1909.880571 2264.427532 1470.686778 1846.906407 1493.637127 2678.874 1453.816005 2643.506795 1474.166167 2127.859635 2699.983637 1468.865314 1425.057022 1868.956588 1804.323607 1850.196787 2537.441116 2509.087858 2544.301117 2684.499829 1591.155402 2995.786785 2507.089096 3108.849567 2859.415309 2409.056834 2272.354923 2821.341372 2250.332431 3069.079268 2562.717129 1721.908135 2657.745597 2936.90694 2051.699748 2392.406077 2577.777896 2647.252754 2724.865344 2466.97442 2368.03436 2642.295865 2736.100315 2173.309756 3549.272272 2351.392114 2640.527551 3559.15082 2123.846146 2183.642201 3423.948209 2147.435723 2234.482472 3183.203784 2895.095149 2102.61916 2391.286062 2765.372163 2123.40848 1656.562269 1889.985375 2939.971678 3245.761683 2070.049621 1937.204616 2292.280803 2110.691463 2227.679431 1616.242747 2197.178437 1643.163681 2876.255013 3065.103213 2568.068199 1833.127352 1604.313979 pentadecanoic acid (C15:0) 62517.77308 24375.60401 57937.90417 13338.46408 31238.53384 24651.32654 27871.39647 26959.71995 36480.64233 31792.13138 35634.55618 69536.7948 23835.6527 33106.05944 57992.21723 29863.1208 65213.28436 40404.64242 25103.80965 27395.73526 43554.07583 40526.97039 26760.85874 31484.5895 45070.61125 35458.48462 47411.81304 30433.90338 40422.55404 45598.30506 35777.91858 26874.00742 20764.64106 51735.44506 74898.69388 31096.77643 35366.91316 55888.0966 54258.76631 45743.83638 30441.51124 40816.21708 40920.44865 86063.65927 45503.4477 27827.78855 40945.45924 56840.59747 71300.1062 27089.61992 41381.35971 70829.7753 35112.08426 37164.81236 48273.77291 36331.12183 57527.36637 46601.05338 62451.284 25092.99565 60970.81349 56900.24006 38949.18419 40279.22492 63544.95084 52937.99116 25617.08174 42520.02772 42190.08939 31720.31481 42518.46812 105341.9324 27840.12264 23803.4346 31048.76768 51903.7138 51749.12613 19327.11234 33327.05526 41090.56982 36085.43897 224911.9085 25649.35018 22620.91607 64385.27402 42464.13445 50177.26897 25664.94516 46975.67254 63891.51922 44414.31588 34723.30873 30146.96298 30398.26093 51479.94121 44117.28183 55227.3653 33833.72252 64018.43341 18609.21874 50762.60842 43152.66522 31169.93165 31295.50891 57080.59644 29617.53738 38464.4345 47845.81757 23501.9986 41982.75591 28607.34548 49781.78569 30591.01012 34008.89545 37382.15853 48061.79139 31546.36606 37957.7764 34894.11848 42017.19615 32242.22103 55227.37047 33906.957 44398.60909 47475.78025 30593.01734 35098.68108 28952.8467 25511.8992 59275.97076 29601.66078 44438.81577 45375.68154 57326.35145 40456.7537 35092.62664 25224.6358 32162.83277 37118.99864 40558.62497 40287.28922 28687.02853 43088.6924 76220.21605 35002.49426 39617.83625 58772.77797 phenylalanine 50364.2609 45399.71558 64929.70871 36142.27766 49990.65583 53833.55257 72868.02381 41663.50291 71203.10142 54806.54376 53397.89255 69930.44125 60458.53141 47942.12899 71473.13567 64661.78591 60261.45067 64998.28434 73527.3138 54473.87501 69683.80174 53621.57995 52596.68169 61112.86084 57836.09482 51093.67021 71924.35812 42886.8905 66462.07108 57126.35771 50690.77418 52464.5907 44647.4006 49206.7861 53747.23394 43739.14931 51906.0412 119572.5608 67834.17738 54403.17327 46813.53957 65300.12167 51869.48679 63792.7483 57632.08961 52154.10914 55091.95243 47857.18858 89519.96354 50234.3375 52820.92522 80776.55023 64346.77988 127342.6789 58667.90796 73121.63723 102132.9864 68473.93199 58992.27346 69743.03174 72842.49052 56493.46968 50417.86267 74085.72137 74304.03439 113519.3872 68593.30646 66884.26378 62041.50024 63195.56226 128774.8626 54608.46712 49573.02402 47955.3732 51881.63863 67267.02393 89627.9408 53380.26037 66083.13146 44360.49649 68738.96197 77283.82641 59638.82769 43107.68608 58262.78314 67111.49097 75452.53226 60609.21501 64316.78223 74325.68698 58522.41748 52778.34288 81925.44248 70112.77705 83210.83512 75392.94815 54762.9901 58846.2454 82390.48779 55366.79607 87739.72253 66628.68538 59807.24033 75996.31965 83683.72742 61742.05095 65508.67454 96226.86675 63500.46696 97429.64015 69966.64175 72986.47655 64414.8305 67352.63395 86676.42766 78903.90309 61317.37467 97660.84476 82990.5942 62138.47778 70378.99685 96045.50215 57018.73043 71020.39501 92278.53257 76773.48915 71417.33754 71634.92247 56380.55118 73069.59304 54860.37699 63964.98501 62515.05795 78634.3464 71222.12194 83266.15928 53395.32598 60793.73431 64889.10569 47167.08678 76179.93627 58344.50881 86403.75498 104453.1533 98468.27857 56768.15056 56661.93056 p-hydroxyphenyllactic acid 5321.08668 4995.689322 6520.796099 5823.401965 5846.041986 6997.018268 10765.76371 5752.327888 5352.643655 6690.276228 5875.303137 8220.10631 8287.123182 5958.117591 9964.360171 8437.67168 5533.251413 7700.003785 8036.779484 7413.379334 4763.743805 4888.114824 7555.105782 3449.925139 5198.942008 4574.861695 6819.14462 3970.078964 5959.285469 3876.551004 4811.843916 5123.630424 6213.786464 5108.008667 4647.22076 5050.910912 6754.829039 9746.689544 6554.891788 5082.78975 5524.532704 5493.265614 4591.984499 5215.301693 5036.167491 6375.373488 3598.816092 6282.929527 6050.753937 6888.877839 5858.337658 6487.938953 6906.73156 6358.278191 5206.014976 5891.539036 5784.067445 6510.925747 6468.574864 5613.590401 9683.951768 6136.166055 5071.067595 9283.707543 6281.462577 6578.09102 9281.573804 6069.195097 6768.294448 5657.885298 6585.238057 5491.710154 7039.516007 3380.592548 5586.231137 2938.617142 4836.419714 5258.585881 3754.769013 4282.88252 6246.765788 4594.477998 6107.908133 3752.84482 4464.976207 4710.784299 5694.228171 7148.753232 5115.180506 7712.703847 4580.45472 4189.424159 6445.751205 4839.521021 5262.568262 6911.021056 4841.298832 5067.670261 7304.408318 5266.801691 10029.19582 7589.349161 5306.492497 6295.363186 7631.835374 5980.181995 5795.295593 7238.373968 5190.967441 6547.710597 7102.35978 8715.757595 7864.02804 7533.860653 5903.045106 7182.564215 5630.709988 5929.118896 8498.206687 6029.495914 5579.912955 5209.753366 5160.38658 3281.787953 5479.85401 6096.184496 5572.540831 4738.046729 6303.071694 7269.621994 4037.570043 5653.596019 4677.850156 5420.737337 6182.058929 4648.309884 5428.46783 5225.711919 4762.320786 4478.061072 5284.889835 7148.914505 5848.157426 5933.48838 5500.40515 7113.832269 4695.978594 pipecolinic acid 451.2942245 386.1565898 677.1343596 292.6093769 663.5183763 813.0532822 1557.013369 1064.76252 516.948192 912.6995796 666.0976952 763.4739422 524.0998376 1210.161528 807.3923755 1089.150756 1094.239189 642.2889548 1360.593552 1555.437528 1006.097067 1453.472813 622.0147784 507.2334329 620.1276061 2799.102117 409.5718149 858.3913198 589.4814862 820.7192116 593.0540417 463.1522324 1710.19745 646.5002425 679.7036861 1030.88321 826.7782113 1109.157442 626.5516183 581.0891975 796.3303024 29545.28565 460.3919309 889.5761361 612.0584675 13881.69454 420.7069787 1098.522684 2094.053206 656.2334455 607.8989743 1113.67273 828.1087066 1635.082992 524.5832189 787.2277383 764.8124252 886.1396241 669.8960311 352.5033666 888.8830935 1141.241004 507.7829672 1491.041347 761.1029432 601.597056 1159.304339 639.6860687 787.1094074 691.8429671 877.7293787 903.2251684 612.4123175 598.2515683 2086.966339 485.8238555 453.5173508 875.0087078 663.8989861 694.4080157 555.9426888 718.6608084 470.2132033 871.0429777 588.0937738 1067.762596 2426.574842 18845.78842 563.2979182 1896.03253 682.3025658 933.1778028 779.3912636 373.7452938 824.3675697 573.9807848 1272.643467 1787.224124 717.1949028 761.5736747 690.775169 619.9652262 399.8313016 1499.31491 695.2248365 875.3482482 498.11634 2852.605565 596.7448337 817.6098191 1473.1083 776.3443582 2910.364285 721.7861169 406.0085714 883.325469 799.1099229 1036.265487 1047.437449 464.9392846 2502.895689 477.8926759 469.7020842 1129.003002 1383.577039 777.4291912 329.2307426 1768.62415 1093.099879 702.9949564 516.3055745 609.6502654 728.0733393 877.7630109 2362.744101 1274.049729 574.4328946 626.5915955 487.8174031 758.8828003 643.1207915 655.2826631 1997.67832 782.1395255 1299.370083 1532.0746 916.0162786 proline 10368.29403 8821.886473 9127.817437 6619.241768 7896.650461 10074.62462 5700.079575 7729.086593 9785.349811 6943.436318 8823.962296 8800.13542 9122.286563 10633.69493 7385.366318 6748.282818 8947.928926 4303.817287 7374.201864 7196.388233 5244.136514 4445.307745 6492.436773 4610.49549 7065.700043 5442.375161 6584.185693 6059.689166 4730.37063 4364.119709 6846.335483 3922.567735 4120.912008 6688.184528 5766.688706 5800.880475 4284.553802 12550.05101 7767.410279 6911.005818 5891.972911 3644.143448 4705.553623 5231.223742 7747.588693 4106.878137 4806.552692 3817.526235 7158.801335 6238.266895 4879.095701 5547.774489 5815.511466 7074.500322 4555.096553 8230.584749 8238.664541 4747.593615 5575.102907 6891.618894 6223.582208 5388.665197 5546.65658 5883.550939 5511.415517 5481.858489 5105.119012 5599.10592 3789.492302 5802.199752 4716.623298 4554.0428 5866.935394 5506.311027 5418.580722 3413.354066 5834.345277 4465.935259 5021.891147 3587.139959 6240.70452 8052.307967 5205.51174 4124.397668 5321.247239 3860.716445 3504.652778 5076.818321 6167.678698 5373.391524 3773.283597 5585.508655 4399.954459 4108.65787 4195.372545 4773.895943 3612.583907 4291.322387 5996.134819 4820.472362 7971.01682 5766.2165 4739.20512 4366.353973 5611.755328 9459.807963 6489.04784 8395.073501 5777.639769 7295.44855 7661.81726 5691.483686 3826.196 4406.714582 4581.807156 6719.211502 3879.40358 3849.183294 4988.497493 6948.220714 5288.96247 6709.155771 5350.145163 3155.929137 5473.174612 7711.920907 7290.732502 4221.829476 5509.664671 4701.10328 6975.697922 5838.400601 6513.676037 6544.210576 4174.581348 4310.494406 4482.437521 4378.308226 5531.643007 3892.560885 5366.087355 8805.861106 9212.453814 6197.136057 6527.293228 3715.487237 3669.735515 pyridoxal 6359.425774 5040.824861 7175.431804 5167.98964 6958.119564 5189.597041 7197.041829 4173.340141 7792.462012 6916.579947 4902.723492 7212.20372 5976.016318 5118.078472 6298.301298 7450.994754 4511.738769 7048.109867 6096.752523 3860.902011 6269.349117 5907.15852 5224.074387 5592.244466 8477.542499 7207.702344 8904.706047 3936.244687 7336.412583 4810.9083 7163.289022 6825.60675 4811.210537 6015.411931 7692.187074 5269.95275 7801.465519 7699.014706 6623.876227 6091.7841 5020.023534 6600.289764 6885.662427 6673.190784 7618.813045 3968.673509 8532.641484 3366.527031 8265.002138 5891.969906 7491.959138 7872.429205 9635.390212 7380.012893 7911.711746 7391.539029 9764.020197 4796.432975 7236.224124 5929.045889 8848.160177 7727.822462 6454.732744 7492.98741 8758.625869 7616.348787 7523.130888 6792.866851 5224.88506 5020.903109 4313.191333 5282.586542 6914.999967 5016.527313 5697.746674 8209.398215 10420.11086 6134.454837 8054.886136 4876.85283 6295.468787 8575.297432 6814.998199 5147.501389 7210.883652 6835.961847 4782.199964 7939.733895 9458.078489 5372.123372 7647.752734 5169.096721 5223.586318 7771.447018 6459.636921 8176.076633 4481.022814 5188.668501 9625.980748 7879.708639 7628.219948 6155.686763 8585.261171 6787.587506 8657.08597 7092.482604 8906.808457 6463.461146 6953.587563 8795.218578 8346.170507 9489.017024 7946.591354 7634.569273 9279.704807 6902.471601 7293.4072 6600.341514 5277.226189 8401.395307 5347.300444 9812.917402 8189.249086 5545.997544 7835.714544 9111.525431 8842.054117 7141.810799 6926.010911 8463.625735 6445.094985 7454.36036 6942.391747 6251.058431 5926.144138 5981.318738 8772.548202 4992.270967 6389.09534 4772.426681 5043.663817 6137.832637 9297.674937 7845.693141 7481.551615 5078.422753 5968.457335 pyroglutamic acid 38900.39523 36362.93484 55543.29226 20669.21154 34898.61435 46851.64791 42161.51775 40870.36593 55739.34484 76485.71487 26146.95548 42777.76613 48354.86422 38257.75186 81512.70292 40618.22844 67750.09625 28910.72257 40766.65734 39822.7425 34484.60165 45222.2841 38757.21279 60694.36384 46489.25066 48051.91791 59692.79816 50798.49248 43320.05762 39297.4148 25207.15051 31162.19833 26977.65472 39968.82731 55978.00505 36824.1396 32447.46729 74670.77864 23687.78502 49448.07223 57088.18444 26311.78311 32088.85159 47234.65475 60172.80267 27567.78427 50074.87662 31159.18849 78351.0479 43174.65603 30854.13505 66185.86397 39378.97664 63582.64933 33343.42821 34480.81603 69646.74786 39347.95516 67700.30792 51327.66768 49235.69227 33514.06939 46236.56405 36099.64231 55109.11136 69149.44182 55838.4179 41755.33752 25013.9759 44998.88056 31394.13455 52881.44869 41076.73517 47423.5143 43475.38543 28303.79002 47298.62134 29532.91645 53290.92417 43130.75359 32677.74039 53839.76437 28916.53224 31052.73134 30526.29256 47443.84721 35340.06864 30241.77884 64880.44673 38610.18507 43850.50249 39860.851 36592.45301 67343.72552 51761.832 59323.21711 61657.75106 42986.01083 91319.46162 35351.46495 54538.67373 39861.1425 31457.43494 48769.65266 55284.03958 57877.36679 47983.08678 81673.85847 54908.43539 71860.93613 62929.69259 64501.7476 41816.4486 40214.98625 58168.38355 63763.35174 40358.92331 46350.64392 67307.54658 27619.81205 51853.43336 90546.23094 53140.83403 42264.97389 58466.2172 47075.94236 44076.97814 24239.39805 35392.81482 80386.48902 70279.97385 75333.23144 58807.43241 83067.24245 34669.12152 64795.01285 27827.64966 25993.69399 59068.24615 27999.01135 65365.41541 69034.39584 77799.10773 75103.25438 48207.84421 26084.28496 30677.60421 quinic acid 2825.970958 2383.500805 2108.240843 1921.961203 2552.835508 3639.06982 2840.761346 2514.610934 3961.986775 2226.39198 2576.669899 3029.792845 2717.128495 3085.088339 2884.32398 2698.506333 2472.02005 2020.410067 2236.199974 1895.851104 2064.218763 1508.187401 1825.684884 1365.179988 1749.859082 2060.699878 2306.721024 1070.105795 1415.63208 1564.058512 1742.249103 1863.599644 1836.200022 1164.080946 2028.836105 747.1913738 1211.950663 2618.671301 1219.076688 1709.416055 1087.617254 1397.052086 1314.417021 1659.586057 1656.254819 1232.218693 1252.633336 962.26446 2178.421813 1533.264918 1196.221753 1369.287271 1409.738167 2242.837149 1302.571118 1799.538526 2872.333471 1411.428731 1327.063164 1663.177827 2255.108919 1793.003207 1696.8065 1972.603289 1198.665606 2124.709268 1791.2421 1415.440209 1290.509965 1468.445399 932.0721194 1351.232829 1581.949704 784.109869 1901.06644 1552.632232 1947.834426 1276.963831 1862.308885 1782.247563 1966.01985 2025.978544 1739.015539 1174.610291 1199.569248 1199.156068 1278.497764 1430.671455 1649.340232 1662.824677 1235.486445 1396.13803 1342.593226 1931.074859 1539.998339 1866.326829 1525.048075 1172.871513 2140.140618 1185.925183 2446.825795 1765.512409 1114.220044 1966.450767 2124.857007 1603.005933 1542.711249 1794.236045 1581.442436 1774.090542 1493.621324 1898.819163 1595.181411 1411.868975 1185.529388 1269.769878 1084.692893 1395.437542 1183.196604 1592.050451 1804.244482 2548.390852 1424.813905 1181.327049 1766.600246 1940.860156 1536.387349 2091.655218 1681.994543 1501.509311 1248.789441 1375.149376 1891.878128 2474.066481 1591.59838 1553.256506 2007.640044 1337.301992 1318.16863 1386.902426 1493.7804 1679.94288 2161.045713 2342.865404 1372.9769 1344.317683 1261.129871 shikimic acid 1031.089964 908.0202272 1035.433968 738.7745544 1188.121279 987.6493804 1022.008284 1108.828494 870.035256 855.1799873 1266.319834 1001.1339 644.1738678 1092.697973 1295.926564 838.7357864 1111.525188 1386.453667 961.8156594 1149.286723 631.5267046 1078.429116 916.8515829 1057.891173 1276.942961 813.4363564 1442.031714 791.7691549 1181.771048 844.5285395 893.8410952 901.1108454 1047.425978 1057.114991 1036.436513 1137.747512 1289.617257 1271.784285 911.2464496 601.5954173 819.1283515 5029.273236 977.3818399 1447.854889 714.8434408 1808.283879 743.5568057 1396.114672 1020.079511 1027.541585 1066.598215 989.2943841 1182.002867 1298.606294 1071.619704 842.7932856 888.4558726 1341.258711 1015.419455 820.9744442 997.8659405 1023.829776 1131.484349 1666.504642 1630.722987 848.5826619 766.8498704 1264.583018 1047.486103 697.0665157 1496.160818 820.4931316 1052.798923 582.6511466 1059.315006 709.6338101 950.5982118 1018.929154 828.6533442 881.9736295 1334.117401 1130.136213 1281.943153 990.120742 1060.783518 730.5328714 1455.779266 1406.096538 989.645477 917.6247116 918.2900203 1141.042449 1073.498599 1290.762844 954.6271374 827.9345834 1732.447646 1317.606308 1454.398487 1122.354865 768.5803339 1455.119787 1211.123873 1690.49451 1587.577091 1043.815286 1172.438363 1084.218966 1195.276335 943.6248233 1346.34785 1671.224492 1454.997812 1517.488722 1273.111794 1289.100708 1088.898671 787.4805894 1575.810852 1156.080099 991.5900198 906.165953 952.1034975 1078.555031 1242.035086 1710.339621 1309.266431 1261.337486 1317.389206 1047.479448 833.3011112 940.3902795 899.5374474 1217.141069 1312.77527 1446.617705 1393.622999 1331.777992 1163.738096 1566.796304 1354.339223 1246.942315 1035.538383 1401.641921 1409.229554 1478.47629 1834.839689 stearic acid (C18:0) 3972.631984 1139.633208 3290.311178 550.0092329 1754.333554 1001.299305 822.7806858 705.0811975 1462.046686 1790.171353 1673.573468 3104.184604 1699.834518 1339.748996 1860.434878 950.188925 2720.213746 1250.739421 450.305749 836.1165092 2412.841001 1792.795924 1370.579073 2006.555816 3914.519482 2200.576079 2555.287588 2693.50541 2139.054386 2733.334006 1492.664726 2463.708316 1353.58282 3624.340773 2967.6366 1028.720093 1598.790225 2672.31849 2618.065338 2550.911861 1922.832941 2176.342452 2194.338404 3115.501278 2715.57566 1129.131437 2898.643802 2832.501225 3526.147283 1664.299772 2071.756361 2539.510162 2325.545429 1539.156789 3824.657086 2229.682873 3743.444751 2231.90916 2815.3244 2478.899608 4218.682937 4612.972892 2171.070139 3887.647593 3234.065015 2477.876242 1812.941579 2255.801706 1940.150239 2935.050436 2505.285551 4446.657136 1859.258357 1657.772136 1501.841394 2521.106415 4173.695175 1540.081363 1526.0814 1945.428953 2348.197025 3543.385681 2255.156275 1982.277632 3740.405776 2389.505892 2323.529794 1368.421626 2965.157607 4309.631843 4412.92603 1869.221602 1489.933754 2000.989131 2624.709484 2434.877842 2575.477894 1950.529347 4297.054696 2733.890564 3655.611159 2499.326328 2213.952179 1562.418263 3843.935045 2369.430865 2809.993942 3017.434647 1744.235453 3787.729898 1355.434846 2816.836735 1258.38617 3650.067493 2173.48706 2626.747386 1246.023752 1376.871829 2996.001614 4297.640788 2637.294543 4554.102414 2906.014094 1712.46922 3747.656146 1874.906169 2681.416878 2097.994934 3676.620878 4891.733187 2175.932003 3533.832595 2360.723457 3762.245794 2717.948065 2388.082397 1348.468132 4087.69879 3218.102376 3237.153172 2314.216089 1653.602851 2718.57296 5347.981704 1770.040954 1746.892206 4590.693163 taurine 51911.63195 53419.05726 45445.0807 48861.60991 46384.2123 47920.72194 49727.19863 54926.93969 55455.72751 47847.97626 49864.72304 51513.44298 54917.91235 48060.51156 60279.98371 61248.96375 40528.01104 58966.78688 50955.28835 79554.76498 38120.80828 56121.74851 41610.22933 45605.15853 30276.11167 40318.49368 42286.04096 40141.17325 39391.27242 31833.18261 42209.54173 41196.53072 40882.78993 13985.33977 34990.10721 36232.03708 48802.2525 42284.91723 31893.19276 41625.47585 37562.53974 32752.36819 37966.13694 41579.07538 48694.61194 26982.89308 39770.38658 37061.50936 39398.27345 29406.44248 44297.75504 38000.44255 52041.57169 31334.40022 43915.08121 49121.27955 39858.68345 83671.14368 40188.92835 42237.92899 73425.07033 46717.71624 38750.88593 41075.9665 44795.3463 43609.47205 45482.66121 41033.22815 39114.63601 37335.06167 37521.20623 36877.77895 45334.87433 23722.69475 34873.92865 33161.6764 29094.65611 38738.58784 30729.9986 33415.94648 34678.85349 30228.83671 33524.40175 40655.19286 36404.55199 36668.30494 34170.83939 48498.0588 38514.38284 42508.86818 33744.00076 29388.52995 45805.71673 31034.70954 42042.5952 42225.54426 29303.34182 29351.00384 43033.85749 35614.66318 46534.23995 49791.08456 49233.64129 37612.87105 35905.08678 38171.48024 57771.55012 46217.68366 36451.33868 38202.17416 34875.35996 38420.33903 46609.64195 50358.67513 52483.56625 33451.22395 39891.42417 44578.18123 51463.94547 41726.21774 31885.03026 33717.06412 32229.55647 5820.274082 7073.777943 38214.69198 46564.4525 38453.09503 34593.74055 34385.95386 27059.96605 30722.95995 36219.2433 29348.75299 38931.41411 40587.94241 33866.85395 48816.17808 28854.28395 28688.44653 35171.29 26986.22526 34913.34179 32881.47411 48566.4828 35076.64162 35938.48667 terephthalic acid 3444.580025 4878.247546 1832.203696 1248.422536 3879.043638 7804.245503 1058.788342 14947.87407 3714.166826 818.5308289 7333.061684 1738.533848 5604.133869 5870.50246 7133.998645 1812.939364 13120.3246 1846.411421 2993.350631 12673.37303 4139.84311 5842.586921 5181.815808 4311.043112 1923.997088 1077.396757 1375.629554 11542.18719 1235.449087 8842.305585 3267.328918 1403.107532 4429.901636 3084.958489 2038.407271 7165.665025 1784.89306 16183.8024 3112.000254 10700.90739 12169.48893 12627.05418 4285.466078 2271.515505 608.9658692 12442.6543 911.7733075 14788.09422 3220.483624 3155.424364 2406.804721 1727.192321 2081.285135 3696.027359 942.5684448 8460.227344 2434.940277 8820.399819 3659.374325 2603.05225 1716.928694 2677.88001 2627.203496 990.2336853 637.7363924 1214.080973 1014.696532 3833.032986 8215.841783 12976.69669 13205.21016 6141.411753 1306.624656 3647.158639 2991.110709 2339.523308 413.9915573 6008.570416 1615.360537 1108.073453 1652.118188 524.6119599 1320.924621 5136.584906 1115.739262 1326.232253 5675.819594 1972.770507 930.410368 4632.363147 1703.965945 1964.958888 3226.090646 528.6391858 2610.074555 454.8646679 4449.134423 4251.630466 493.9699831 4108.811509 3086.221772 2699.912998 1898.462158 7639.588046 1383.829513 2775.093547 1281.309085 9253.582813 3747.338988 2656.409068 2432.691478 637.0828933 1166.261864 1788.220444 744.4140139 971.7556904 1473.992114 2594.030389 1353.265404 3583.728229 13790.20175 1897.269348 2362.45017 3519.511071 4541.680165 5030.02467 2281.969602 3126.410367 2614.760318 943.0405623 1466.914502 1204.977532 4090.057629 6376.782093 3028.50142 4200.647083 1627.364958 5956.635605 2660.779271 5676.644654 4442.604435 3259.866732 1653.609384 6346.801895 1678.192676 3756.400549 1263.113413 theanine 3048.9076 4275.033639 4145.722498 3739.17108 2901.785455 4594.427402 3353.599775 1102.996011 6001.495125 5354.928711 2347.548821 3842.372979 5301.964824 4373.133096 5053.457373 4525.922908 8012.327177 4219.495726 5248.563903 3516.147947 4372.898162 6825.523444 4716.339265 4033.027387 1536.563208 3304.319741 4872.358829 5011.765224 2610.741522 4283.331927 4116.023548 4220.804056 2171.094627 1634.355949 4311.459678 3139.092822 3517.277218 10821.34986 2157.146575 4495.306454 4600.392841 3539.06021 5112.051477 5706.629209 5113.419885 2052.475514 4456.46071 1813.862349 6479.869578 3123.383517 2310.486784 4978.495927 2877.608165 2651.764356 3743.39269 5823.778721 6347.603713 5111.646129 5586.940236 6909.759262 4859.151171 3869.198192 1580.564348 4390.344812 6097.747277 7613.157605 5295.294335 6640.874978 3914.970332 5224.672209 4737.731675 6796.793151 6022.311196 4153.835584 5452.041634 5570.42094 8527.460028 3469.158978 5120.318863 5957.30492 5106.803057 7942.229426 4258.170119 3983.907099 3656.155779 7282.155601 3527.987231 3505.634855 8955.21285 3562.681601 4065.153293 2926.434637 7125.729706 7200.307719 7011.68834 7584.912859 7022.044466 5071.381569 3411.675934 3114.795399 7244.268211 4700.741292 5359.449274 4976.321767 4454.097451 6659.294782 10369.00761 8984.106874 4454.236694 9640.74207 3108.04534 5699.896595 6686.539741 4691.819781 5433.744154 6217.967592 5150.313686 5712.129163 4988.970296 5904.355659 6357.37185 7373.814865 5396.471841 4147.480421 2419.670431 3825.260877 7748.947899 6807.005896 4853.162377 4767.933246 4696.995041 4732.464143 6149.401736 10300.65519 8232.179911 10620.64429 5630.048922 5073.812875 6406.314863 4093.569 5934.078359 9388.947619 10353.2138 11809.51333 9304.273461 3860.985648 4863.294083 theophylline 2226.054221 698.3610385 5003.969909 5974.725066 2510.731258 1289.854676 1777.520895 6507.52506 3583.186078 7341.463532 3563.626375 20278.0587 6603.447391 1280.061019 5759.093606 25319.0787 1679.791451 1818.983305 3070.0934 50656.68565 2655.089731 7574.612616 1233.051556 2220.016554 1727.641179 11402.80893 54662.0638 3063.896333 4573.074447 1451.741098 3838.699482 54024.7338 12912.96733 2445.357275 11106.03408 2254.227762 1626.793331 22240.55571 1255.920032 2372.19542 2084.599108 8730.338729 1908.194991 1858.531838 4670.599808 12458.66457 2468.377744 11140.55197 5959.085787 6336.456378 30683.40829 20113.08833 13743.32277 4953.68622 10738.23872 27407.19084 1947.696925 26832.27022 2265.816087 2498.459568 14865.0083 36789.82452 2220.383725 1498.790547 23759.90664 1939.561895 6244.305485 2306.094084 1911.309423 2994.578839 3587.141932 5028.873918 13493.27627 1867.770209 24362.60338 3842.146982 2742.829802 2799.437338 2275.489346 12561.59133 2853.779335 2550.995855 1967.447601 2348.581341 2504.880044 2370.383051 4594.769936 25625.10364 2163.209833 37678.89932 2475.597567 2166.571226 8576.269237 1758.132372 1607.195395 17638.4842 3402.294236 1859.482749 5213.021867 1889.85017 2673.131069 17012.74083 3907.271575 5946.029651 18769.05933 12293.84489 39161.8761 41537.91994 1954.406752 4725.649191 22165.19211 2855.336325 26781.65077 4835.524266 2166.398125 713706.4076 2621.408528 1583.775025 2834.249838 2224.365213 2260.250472 9781.333109 8970.8103 12686.51858 2058.499428 41368.18781 9996.863533 4965.78767 4373.67815 2732.842424 1916.750454 2324.796439 2573.582664 2842.696471 7636.6724 3596.114904 3392.284896 3160.583697 2578.782252 2097.69452 2523.923306 3266.028035 2932.485581 3333.139146 4270.928699 1999.443505 2740.947402 thyroxine 1540.584387 1775.536709 865.3216926 1261.317987 972.1428238 943.924999 637.6046956 600.9534697 1116.781683 690.7945188 1130.247607 722.2708602 1057.123803 1551.047502 1537.518982 1173.823921 1051.631549 1189.982345 1421.343043 1382.450789 945.6127726 908.4518207 737.4802189 1292.036487 701.7874903 921.7937148 915.8100268 1334.654572 1436.053993 1379.136082 1022.221258 1312.899251 1681.062784 1006.667413 1297.95903 1271.953828 1411.220487 967.5060631 2384.7304 1711.529616 982.1468184 1327.0925 695.2185243 987.6573358 1617.887149 699.5878469 1152.485993 1659.94102 917.6304765 1188.014046 1612.403566 1559.535454 1528.283246 1001.132178 1321.416998 1060.019635 934.0362683 1298.537263 1077.119926 2128.098901 1274.23161 1435.84115 1851.586851 2425.635762 1117.892669 981.3907203 1443.089395 1453.313079 801.0570961 1106.216458 1742.043734 1426.431651 1253.10443 1294.290899 1006.242005 1866.93248 1174.87008 1093.953621 1105.956958 1345.100096 1455.361239 1033.806676 1527.394336 1745.651879 933.7451172 600.345517 864.9946209 1772.934237 1024.768851 983.6910019 1144.169559 1109.301656 1157.85035 923.868694 1576.73514 1143.449294 1156.962934 1165.931337 1225.362371 1029.484863 1293.200932 879.4979676 1038.685172 981.9277496 1131.224019 1253.67664 970.667174 1182.023396 970.0749795 1212.933403 915.1326807 1177.841554 1275.635273 664.084722 1065.266209 1458.10122 1593.106321 1522.547297 1193.518767 1535.07479 1726.983562 1588.84714 1360.41585 177.6642388 549.0819468 1307.986533 1858.882861 953.5015079 1711.073604 1130.912814 686.9102482 908.9115312 969.4286659 1012.869894 1093.658183 1087.186735 1774.641094 1581.093215 2288.277982 1535.445572 823.3485147 833.1378489 1139.827213 943.5828492 1243.383222 1574.78844 1742.316822 tolbutamide 2701.606912 2155.495043 5050.964041 3177.341025 3730.840165 2788.649215 8120237.435 2876.48339 4553.237284 3263.687694 1905.882421 2757.648919 3056.281499 3146.931408 3877.168682 2891.572133 4176.6958 2588.201037 3265.79824 3402.610621 3756.517229 3877.945154 3259.223846 2845.652293 4736.828719 3265.385217 4034.466304 3036.22646 4225.053503 2834.033955 3449.861674 2857.99145 3091.198742 5009.585731 5677.078948 3876.942632 1758.525721 5187.342236 2387.54101 3837.12476 3331.531032 5906.034984 4034.623565 5788.04481 2901.6481 4465.091524 3184.790414 2723.229098 8325.040202 3818.963034 2812.637766 4998.893098 5112.47318 7578.297954 3285.454542 4319.492803 4179.89371 4123.376672 5805.587882 3568.197894 4100.19064 5393.914196 3102.647893 2698.211405 3183.666619 3760.726742 3490.284794 5586.642808 2751.692436 4235.188717 3007.425397 3239.879558 3540.381942 2724.655677 3395.144763 2876.037545 5360.985412 2070.109039 3545.423213 3272.880515 3696.138715 6449.702094 4095.551004 2353.46401 3817.66368 4749.077172 3854.699964 2885.101843 3725.827619 3501.261048 4279.219423 3421.474176 5222.105875 3162.43914 4212.233439 3622.605937 3666.293985 4625.109352 4229.565783 2939.681932 4108.41026 4645.338046 2991.929946 4768.187214 6954.030372 2937.507159 5703.697177 4321.290772 3068.804686 3027.25433 3224.868346 5371.210982 2091.085516 2850.609522 2870.947173 4619.73989 3452.129536 3032.167622 2617.058331 2129.111053 3556.979385 5992.095851 2804.045904 5333.349945 5897.156941 2603.88337 2099.811812 3201.28232 2671.934628 6981.87913 4483.813794 5732.846462 3584.514703 5260.564561 4410.705602 3882.740185 2555.291232 3285.725269 4139.88415 2914.304531 5180.938803 4215.661474 4288.206055 5588.117231 4623.806901 2315.66743 3090.751189 trans-cinnamic acid 598.4760395 543.5430549 1525.31425 631.2142552 960.0149584 683.2525756 960.854543 608.8100929 905.9355696 972.4485087 782.1108926 763.3799688 466.5353425 732.6329836 697.726578 736.5520542 687.2746949 559.7727062 618.7220393 449.5547875 681.3943892 1010.178223 1008.79982 1195.121961 1325.891926 451.3238067 1021.066911 854.4391951 1058.3707 664.2421986 804.7539764 1030.560689 1125.612002 1467.634751 928.511303 1388.023976 1167.814477 956.4552854 1045.258997 886.0665545 1163.798725 1085.356869 1031.4696 1181.802599 1046.717918 921.9353653 775.8876227 728.04577 874.8801607 843.8053354 1266.800304 900.2634765 1077.138398 1189.303957 745.7502039 1969.726536 884.857458 549.2400614 841.0271767 1181.119568 1150.703454 959.3248678 1081.596125 1032.475466 606.8698036 838.997542 865.8476206 694.1743874 783.2068704 624.9665929 1424.268285 682.4653593 780.2915906 609.8167597 569.4889475 676.9706774 974.2323908 615.9344828 869.4195413 627.8263592 1571.405863 1986.475819 635.8235507 840.294282 1020.234896 961.6073527 1359.416207 923.8514215 765.9686466 1263.032176 541.1492978 630.719922 1020.516978 688.6329703 723.2398076 1118.185723 710.0208062 1706.387094 1032.365098 846.0829588 1960.639239 1288.282222 474.7997762 981.2057014 1317.564248 993.2628633 1195.775708 915.9689894 871.6402135 638.093278 955.2197458 1114.180295 606.5082537 868.8314578 624.4253478 806.2213252 1599.594646 1071.541453 782.5234878 920.6229382 824.7154722 1152.204225 958.3155612 1419.628445 1346.313234 1014.0271 648.7072141 1131.603255 962.1349037 978.9792117 1014.574204 996.7767081 1171.026945 916.660036 1078.720902 843.8563357 1138.557416 489.7604914 1518.806027 879.205217 772.5537826 780.6575411 776.0849385 952.1958293 1838.777591 779.2310478 1160.652256 tryptophan 132286.7031 113885.3696 118983.2343 120550.0863 150538.1774 129978.0015 143004.8478 103437.6717 129461.6782 116416.9213 127070.79 129046.1457 136169.7468 115610.4121 153362.6112 130170.0132 101369.5322 107684.1723 106719.9213 128424.4269 88357.65537 83335.03672 110803.3605 119564.6884 103180.5278 96776.02326 106264.1984 89789.1339 121346.208 94179.27623 128783.8402 99443.87708 104346.9759 82872.88416 83179.93153 91390.9008 95874.81701 148277.052 90248.72818 97893.59089 101179.1267 95568.31734 86346.12901 107564.7344 99757.20372 85406.24135 110241.353 87555.38152 93247.32894 112760.0574 131037.8795 121372.3529 143524.3388 139418.3991 119926.7659 171213.8362 170050.8273 119093.2305 104925.8709 132720.0288 157423.0491 128207.9892 120612.7607 139474.6976 157027.6989 126019.0236 121705.5689 150630.7434 116712.1046 123519.979 90399.58053 96313.99281 207913.8474 75986.10797 112266.0912 108408.8977 122775.3859 107803.9378 109237.1583 84531.68084 118359.331 91591.5966 115978.12 90091.72953 104884.1234 102407.8933 124149.8039 91811.88054 123840.4772 129840.8172 102928.1054 92233.74992 124632.3905 103009.9994 118993.3318 101132.6225 98557.90668 104273.8038 187202.9826 138225.6207 161561.2266 171065.4521 129133.4125 159182.8207 164724.9481 142861.549 263095.107 140124.6367 149602.9711 163290.7371 111153.1215 156597.0515 136158.5267 138079.2113 104403.7741 105006.92 112241.7574 116511.6574 148151.1689 126612.7541 119325.972 115205.6416 93717.98815 78590.66791 101506.8218 156871.4826 108833.4341 113471.7135 124656.3851 117570.4473 94954.15163 106262.2995 102791.6255 120449.5007 111545.6811 125362.0637 98944.01376 103625.7993 92779.82123 94299.85353 87264.30373 79049.68937 123585.2179 119876.1319 113279.2401 86262.3629 75562.73311 tyrosine 4267.845891 3904.327756 5848.666939 3399.360293 5023.327234 4420.368542 4795.494777 3970.737089 5168.006956 4847.622505 4400.414674 5628.47801 5575.735606 5411.22055 6105.986994 5115.924677 5430.703407 4108.76902 5835.058174 4478.415016 4780.402586 4368.157971 4226.114324 4295.842853 5832.007316 4780.445191 6120.501204 3855.478827 5696.478701 4405.030948 4743.883637 5952.091167 4423.187383 4253.686361 5256.771591 4075.556361 5719.751638 9794.603036 4239.753145 4718.115353 4176.617642 4134.977644 4038.041171 5583.261302 5824.393254 3655.913312 4087.598961 3859.459059 5758.358145 4122.371896 4821.84625 5773.896861 5715.082603 5609.848366 5179.264901 5292.97574 8200.612136 5822.289871 4754.427482 5236.389001 7205.162518 6104.296977 4666.284571 6480.387409 5974.022231 6639.285804 7775.955262 6003.201335 5318.288834 4900.423358 3926.14232 4593.299285 6323.987123 4112.829432 5839.416051 4100.578158 5886.113378 4205.646156 5280.796971 4114.221701 4773.971016 5726.461199 5898.534757 3943.454774 4899.201077 5801.920724 4868.42466 5764.537919 7035.737711 6015.497197 5882.002094 4125.490935 5991.714578 5993.546798 6911.040763 7655.697527 5333.084643 5933.049984 6685.43622 5491.377903 8669.724912 6187.313638 5933.036913 7591.219943 8129.131752 5998.970713 6392.373997 5344.149051 5231.563636 8000.800439 5459.092099 6999.128084 6951.889893 7091.88908 5731.449376 5602.305228 5981.801066 6197.73408 7207.238187 6591.832465 6188.92041 7253.857932 5328.435225 4083.706243 5920.153084 8538.944006 5513.422685 5774.834633 6820.349837 7021.110733 5527.011306 6274.06102 6498.489677 7413.597909 5326.743654 6150.134149 7094.310647 5340.051924 4964.643954 4804.13681 5429.398359 5487.283349 7703.874703 7474.073256 6138.934959 5865.694459 4605.969501 uracil 1000.94294 1273.611718 2273.787164 913.2131029 2490.61137 1220.567202 2729.564235 1196.276617 1829.465333 1566.361136 1269.466951 2358.170563 2200.79188 1563.480047 2562.540792 1216.966784 1243.662844 1618.358307 1516.785106 1546.434305 1250.642388 1397.505855 1467.71024 1776.591384 3126.976973 1835.642796 1763.154512 1552.385967 2261.586362 1452.537589 1751.810186 2027.646648 1521.883198 2038.085554 1651.464071 1678.868542 1476.824843 1394.618999 2171.250559 1400.866612 1394.976055 1558.981415 1764.564758 2261.614261 1761.367549 2467.634523 1596.021899 1790.591825 1949.476979 1528.519349 1537.391552 2628.244096 1908.449766 2661.782784 2385.807493 1599.913983 3097.682506 1480.685779 1589.503976 2237.239322 2287.637951 1448.87031 1751.068739 1439.717623 1559.64996 1661.829967 1969.769565 1734.473017 1861.524585 1783.707101 1906.455481 1506.645591 1757.345272 1317.757285 1653.634217 1593.015161 1885.463432 1788.651087 2570.062359 1514.738352 1464.471738 1523.869979 1887.862986 2144.442569 2554.788945 2082.900568 3105.333605 2149.984268 1957.912294 2107.594421 1752.421342 1641.931307 2042.781953 2485.540166 1966.173149 2190.173806 1577.192852 2201.729291 2599.003599 1992.204364 2374.600031 1820.064755 2301.056127 1722.910559 2464.400669 1649.438083 1756.788741 1875.951869 1830.445503 2098.584278 1722.308684 2096.103509 1090.813258 2314.644659 1777.929722 2027.803991 1361.602811 1728.748137 1854.454783 2007.835224 1818.848302 3068.340831 2347.654903 2048.453076 2260.825773 2590.856195 1709.045318 1759.825617 1854.894457 2285.912369 1613.869321 1949.890845 2127.191916 2326.19688 1905.42128 2212.673541 2091.237732 2074.985344 1493.17078 1931.5559 1736.538421 1707.790914 2172.085589 2581.638974 1657.797927 2352.978147 1963.867564 uridine 5025.644006 3792.340335 5433.996678 3982.349439 14032.40419 4968.376338 4821.194556 4871.833005 4092.661898 5397.244392 8277.269398 7089.114909 5188.654939 4307.448872 5620.636529 4529.853238 6520.274136 6540.49092 7298.190097 6904.398901 5690.676828 6018.79176 4881.1546 4043.965129 7530.594936 4195.614132 5256.094829 5486.69001 5297.532049 5515.012898 5500.696984 4484.658895 3836.516877 4132.286138 3748.463958 7887.713911 4997.184403 5269.522478 3395.9381 3748.861075 5646.919565 3379.338129 5129.813532 8090.963585 4303.822929 3664.766023 4636.577893 3649.583108 3067.169064 3607.716139 4900.507575 4159.725435 9265.591597 4440.439695 3516.947473 7643.225211 4505.990212 8352.856242 4183.89101 3730.425827 4266.084821 6141.328496 6951.938594 4624.208963 5366.657987 5634.767476 4494.135484 5868.637357 7679.457017 5071.83695 3670.819262 3201.153584 5043.502425 3164.195727 4225.656692 2950.17722 3441.034429 2987.750862 4568.916147 3702.199062 6377.088125 3234.907117 4367.663845 3153.257946 6301.578642 4220.495789 7489.53235 4259.328051 7869.022592 5966.452561 3224.321656 5801.027413 4679.927529 3260.063404 4053.150349 4054.123461 7585.163542 4307.885715 4377.180755 4883.774011 4913.679659 7059.565104 5768.811776 3919.19405 10877.51472 4986.611371 7823.000397 4261.738307 5274.95359 6601.734511 3811.220251 8440.49817 5227.40312 6021.051491 5691.331945 4337.571399 4797.658832 4680.818914 4990.797332 7594.631318 3576.429889 6533.450141 4325.367179 3259.000453 4678.964817 6632.402171 4266.060698 5945.735537 4530.72197 6893.631461 3677.474371 5285.552916 4710.873233 4232.599235 3172.390025 4299.566699 3645.210434 4721.654391 3854.532122 3234.676371 4021.218715 4336.621747 5181.405721 4137.9224 4871.196201 6062.806195 3432.50618 urocanic acid 300.1717951 342.080502 282.6321833 172.1656869 213.0003311 265.2471077 202.7386545 446.9594166 432.370493 196.0696491 366.8116873 238.414582 298.9937569 244.7641371 416.5652965 422.2239346 295.4305999 243.3424583 369.9428102 209.1793971 258.9375323 240.977868 270.3255482 479.1576168 273.9398591 239.8892899 305.9660577 298.2904799 362.2030711 324.8310414 315.8846222 233.4420295 206.0423952 248.4737712 356.3330183 181.424847 261.8768341 294.0118933 106.0424805 178.5990504 197.8879609 117.6923451 181.4541967 240.5888059 191.2412331 199.4225198 250.1282997 167.1879649 326.1834497 125.9056015 184.5047107 87.60549715 306.0526578 285.8333294 246.2858848 402.1658247 236.2717532 345.2886585 234.5935278 313.9863716 221.367334 296.2995193 262.5816643 297.887949 394.927883 375.437438 202.5654054 116.4151283 318.346718 247.2448688 453.2537434 131.4457658 183.2046913 125.3152434 265.9223193 322.5663368 377.6916276 176.6546136 104.4744162 131.0027782 406.1586966 447.9945543 225.3790123 137.0948827 250.2385775 431.3657624 362.334418 170.9214478 322.1059792 408.1402889 330.881753 137.3722649 437.2351809 258.5741622 321.1747971 235.9373374 429.1835549 217.5753213 350.4422714 159.1629239 261.0027493 203.4680099 312.4091719 397.3679137 525.6442579 338.1659107 321.7619091 496.5457432 234.3161925 298.1099501 374.274284 341.1243814 126.2337938 285.6597486 127.4011383 197.9475525 178.0496539 250.1513009 286.9951121 266.972436 301.6961292 302.7359628 48.02396011 239.3106028 273.2257491 327.5537241 448.2119293 165.5351195 300.3824832 276.9207368 116.5171738 196.7189553 371.0838819 391.6430017 403.9250317 247.502431 212.7815798 273.121151 329.9320077 250.6104439 356.1469339 369.8746643 551.6769823 517.891356 47.33548453 110.9143859 183.3213716 ursodeoxycholic acid 8600.899842 37205.31798 16785.57932 11807.82378 12089.88135 16656.21768 6305.293254 56828.28568 9538.129079 11009.3361 18317.98028 12174.25598 13688.04747 8810.198615 45153.29485 14905.83175 57117.49892 9659.808769 41969.60449 18700.53592 10229.01751 1827.108035 73082.71242 17207.08894 15968.75602 8741.989204 4596.945284 14711.49633 25327.63587 8997.859516 17389.05834 2540.330169 31682.47072 4770.509796 28237.02176 13323.7585 40889.51244 12949.18467 7487.403383 38017.70837 8901.937706 3301.975323 8585.849714 6908.369156 27945.93881 13060.60784 10577.75684 41724.15448 24213.04471 14424.76067 47626.04893 16833.79191 22778.45219 8456.147567 9501.562198 33639.67715 19187.69599 17499.3361 10971.21888 17868.64443 10870.72597 30870.29902 21229.22455 42864.55249 6395.407347 8750.209236 19294.99231 20767.77822 14162.6516 8980.574541 6826.624771 10121.59898 14535.19733 10555.50905 85646.03144 8284.939553 38418.2212 27824.25215 8317.339058 6812.998252 6394.892131 7635.845302 3511.959626 6640.747836 7237.271217 10421.82608 16543.86826 35218.36901 21213.3142 14029.30069 22980.44873 5997.022347 6478.76081 4414.236911 74280.15553 25151.13959 8225.205926 8811.351996 2936.395013 10807.52098 8636.558512 24499.58435 35806.91442 14904.57711 9505.247016 14280.75828 65051.23013 24958.97018 19517.9177 29202.60323 3044.455018 8493.20163 5818.463701 27015.21832 18982.01322 12959.16389 3744.195264 5750.25193 9338.531393 7238.885213 13377.03981 31652.42099 9987.584383 5123.252777 10900.99865 17768.69348 29630.25032 19021.36887 9466.338788 51880.28736 14399.14449 33139.71593 9399.331741 11607.01149 55433.00802 16342.54585 43083.07828 18542.27579 15780.98525 15043.59035 6435.349332 7479.289638 73726.80795 23924.78377 18320.28069 11346.76164 3592.562643 valeric acid (C5:0) 114.9604414 332.5526255 408.3110434 343.2756351 622.6778989 274.3657661 408.5927009 1469.880433 893.5699088 143.9311575 609.0913704 319.8498245 828.3343707 510.5219041 512.9679651 673.6077974 1255.539899 316.0761243 623.9833791 320.1831422 630.2206795 432.7721768 317.3737717 451.8891043 220.6476411 367.3750101 318.141519 169.8320161 250.5223668 728.3871412 113.2749215 316.7358627 690.7840631 544.1285533 97.56507959 1240.679524 455.7261858 482.8743266 315.5297916 1260.255043 1743.127558 542.9696673 281.5506634 385.6012612 467.7037945 379.9219647 518.7493047 445.7833177 542.0167624 570.3072056 237.5556588 1123.725958 239.1778278 503.6742733 146.4558898 468.6284795 470.5826582 443.4052507 653.3337106 413.4607025 371.0905167 742.1002257 232.6996756 174.0763465 256.2832108 327.7883904 341.2667635 254.5626634 786.8839716 356.5321232 525.2101543 690.9972856 256.3889142 255.2439157 504.0617897 806.1921758 240.913194 461.0365872 304.6153179 160.4268176 642.8680765 307.2476353 61.02394561 246.8050451 528.7206317 296.9718945 586.0652652 360.6492655 530.2801761 898.3696045 175.3344497 243.8161633 1233.809523 329.2321648 513.1748961 600.6025625 609.0658067 1045.516468 200.5455576 449.5696437 649.0591855 316.4641893 243.1963317 213.3491926 441.2634339 340.8078656 306.7878742 563.3828192 334.7629349 670.3123321 279.5508465 392.0224968 235.2247749 219.8359323 214.6898028 339.8773382 163.0357859 824.0833951 585.922047 161.2496626 559.3308418 359.6503077 475.4479426 370.1530081 320.8685552 351.2080334 602.0748865 583.2819922 468.2232022 282.73777 318.4772327 300.6075014 98.84693385 570.1976344 488.8216 566.4631929 199.7400001 405.5752226 303.2999916 361.4660041 211.1792044 174.7302618 1297.528114 599.2868724 623.2978659 518.8339857 665.4678958 valine 29761.78983 32440.4681 35065.23092 22935.28446 27616.09178 34272.54644 31625.22173 26257.84591 29745.27219 28923.13768 24128.42532 29279.26996 32576.71336 27790.97239 33566.2424 31141.24559 29465.82734 25735.27079 29185.67453 27054.0663 26228.88433 23615.42785 25578.81461 24038.24761 24959.26629 22575.375 31450.53257 21857.8619 27064.89977 23504.16122 31662.33559 24220.47311 18781.15644 20753.83676 26419.18119 24741.05658 20559.94749 44815.90012 19877.94099 25920.20708 22271.1477 22692.79601 16563.21864 24691.3703 20153.227 19813.56877 23793.54875 17468.68666 29039.9726 21985.90722 22065.70616 24658.33778 26411.89683 30074.12438 21274.9758 25230.27326 35273.87508 23655.1983 32100.93045 33694.46594 29627.76395 23520.70802 18875.854 29090.20284 28602.24652 29965.25247 28037.03154 31057.45808 22891.39833 28995.81204 19796.21471 23326.91 30793.91329 19835.29971 25032.75265 23565.32357 34349.97072 28322.08744 25414.0567 21312.47016 31848.34395 33756.26515 22438.27151 22579.38648 22171.95082 22896.2698 20289.70248 25457.3497 39258.28626 26997.40388 30927.58989 18567.58314 20713.02572 26467.21531 21722.32676 25734.40742 23548.09293 19072.19382 30591.02938 25564.2847 31845.01145 25359.55663 25712.86734 30053.87245 32988.35062 28030.00633 33219.10427 32986.19917 24442.61029 36748.03922 22006.84869 33744.61923 25849.55847 25731.1368 31976.18584 25750.25085 25704.18467 26417.11589 25364.00087 22509.16655 27596.77326 34043.41231 23015.32998 21350.79769 30427.97629 26222.77954 20532.2165 27554.6765 27747.96299 26086.81744 23278.36997 24682.5937 23791.86271 22159.89266 18778.33506 28024.38449 23670.38846 24690.24432 22006.17935 18180.11978 24395.05019 24381.20868 28177.80539 32898.18184 28166.56413 21191.75056 15530.1114 xanthosine 80.1614608 90.15448547 94.66328892 58.93066559 92.92011002 130.0751879 150.703801 125.7818616 170.6587316 152.159501 52.17745834 142.4332645 47.70274359 133.7175097 442.3364419 44.47986887 198.2349711 157.1234407 142.6846402 185.2993336 231.730091 183.868084 128.0536982 111.3930907 130.9783475 139.1197741 188.1815896 406.9520864 196.5866841 167.9505037 93.09396702 136.1718823 171.6067326 95.13644401 42.60841643 131.4389453 114.757076 491.2211134 98.12388386 99.72733835 112.2461087 200.9312771 126.9521038 168.9802756 94.8241338 169.1785907 246.5305234 172.6874223 192.5927892 111.139511 83.76662694 92.17117379 196.4043268 183.081942 86.89994178 96.0346441 203.2064223 46.12809649 124.7237997 127.7581252 177.1065864 211.8793132 159.4427196 300.6569438 90.10735851 77.84535359 100.4537765 97.21027578 137.2172084 198.5988397 189.941161 335.7953772 111.2275174 38.9986695 215.9561038 112.8971301 101.956998 38.48330149 104.5038479 149.4816007 306.819277 235.4251075 102.9337178 170.323127 48.88083545 151.4493399 54.04261873 201.9566132 194.0197266 295.3616745 126.0393177 78.52569652 228.1640307 190.7112146 190.5253815 289.6354378 306.063794 446.5427899 199.8230027 183.7779563 110.093769 173.4312516 148.6470309 299.8428228 174.9480327 193.2509647 105.4376699 532.4279788 78.60050308 102.7895777 148.1231538 170.2360041 131.0741048 212.6122526 148.882013 108.9991052 125.3888324 162.8230149 1288.021481 64.79070543 252.7196223 203.6267984 76.31868061 40.01609806 161.6863867 89.94214231 188.1982137 330.8150237 135.0560718 162.8084016 72.49135397 117.6498778 128.8580406 211.2239418 77.05927124 259.7201814 65.11801732 328.6003528 161.0413285 80.63215574 72.72623498 162.830043 334.6707493 192.4714319 143.4886134 169.1042261 144.1012535 xylitol 108.7135753 109.8980856 239.1600469 108.1133337 287.5794275 196.5439796 276.0806659 84.71498802 160.0015306 451.7437954 112.2093167 117.212816 333.5051387 163.6497667 130.4509961 609.8448595 144.5472937 441.5829552 94.51027597 111.9390142 139.5916126 74.21719519 42.55695116 158.5770643 158.3589227 95.4172561 76.1500801 163.6940389 110.6689325 149.6621411 87.56883598 57.29170932 259.7685268 169.1599698 260.7156219 338.5341498 198.6722166 406.156409 96.89782675 239.5540521 187.7062301 99.65464608 123.6143891 318.3019324 251.8110345 232.1119191 188.8648162 149.7934688 690.3741696 146.7451009 161.7201072 107.5337137 137.0391554 217.6623748 31.59074672 214.6843067 131.2768047 190.0125437 190.1102093 207.67732 221.5869083 205.0118644 117.4522729 263.4810043 142.701848 156.9300934 196.2736048 45.00510147 37.41216445 152.4512095 237.98631 69.43740965 180.7634094 104.1412607 168.8320718 200.4714755 187.407154 96.92136399 54.43496028 261.2676557 71.71689889 374.4312634 134.3651091 248.88044 96.57311099 225.8476633 120.5868424 75.24597875 257.4822065 69.57888565 100.2451003 105.7342641 107.44659 132.3840823 400.4103348 121.3620635 214.29433 38.74630768 137.0167756 152.2402726 354.253914 20.89484421 80.23816799 383.5123154 146.9810797 176.5891041 168.2824724 119.8078067 132.3911649 466.1071472 235.6697971 179.4690974 53.77852019 172.1007329 106.7225035 152.6939723 52.59704023 381.3155024 75.93225335 366.7821929 144.8597248 37.99134637 134.4253369 130.9711827 41.59009086 151.0331329 152.0997359 207.7401497 130.0262519 115.4491405 122.7376962 177.5313736 237.0356191 188.4957082 218.9977666 76.79039837 40.6009949 246.6026297 45.6664172 216.7937047 211.0139595 252.1946552 238.3305662 192.4039407 16.9563291 104.6839335 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID (S)-2-hydroxy-isocaproic acid 1.19935 131.06827 1-methyluric acid 1.616966667 203.0273255 2,5-dihydroxybenzoic acid 0.725283333 307.0351715 2,6-di-tert-butyl-4-methylphenol 3.616333333 219.1707055 23-nordeoxycholic acid 3.484166667 377.2643365 2-hydroxy-3-methylbutyric acid 0.725283333 139.0343342 2-methyl-4-pentenoic acid 2.11845 135.0405721 2'-o-methyladenosine 1.606483333 302.0970492 3,4-dehydro-proline 0.735766667 225.1079418 3-hydroxybutyric acid 0.645516667 103.0355757 3-indoleacetonitrile 2.867483333 177.0496769 3-ketocholanic acid 5.235533333 395.2537227 3-methylindole 3.522033333 261.1449369 3-methylxanthine 1.352533333 165.0379549 4',5,7-trihydroxyisoflavone 2.857016667 269.0429687 4-aminobutyric acid 0.614083333 102.0516349 4-hydroxybenzaldehyde 2.139416667 121.0249509 4-hydroxy-proline 0.635033333 164.0340795 4-hydroxytolbutamide 2.25475 285.0894437 5-aminolevulinic acid 0.635033333 130.048936 5-hydroxymethylcystein 0.725283333 281.1077145 5-hydroxy-tryptophan 1.442833333 219.0715605 5-methoxy-dtryptophan 1.822583333 189.1084198 5-phenylvaleric acid 3.2472 355.1857856 6-aminocaproic acid 0.735766667 130.0825187 7-ketolithocholic acid 3.56395 389.2648333 7Z,10Z,13Z-hexadecatrienoic acid (7Z,10Z,13Z-C16:3) 5.13075 249.182728 acetaminophen 1.7218 150.0516675 adenine 1.331583333 134.0427398 adrenic acid (cis-7,10,13,16-C22:4) 8.591583333 331.2610544 allantoin 0.645516667 157.0320284 alpha-alanine 0.656 88.03610853 apocholic acid 3.964516667 389.2666324 arabionse 0.735766667 171.0334587 arachidonic acid (cis-5,8,11,14-C20:4,n-6) 7.23035 303.2293642 asparagine 0.62455 131.0418268 aspartic acid 0.725283333 154.0208775 azelaic acid 2.909416667 187.0945009 capric acid (C10:0) 4.11765 171.1344238 chenodeoxycholic acid 3.891166667 391.2822991 cholic acid 3.310066667 407.2772136 cis-8,11,14-eicosatrienoic acid (cis-8,11,14-C20:3 n-6) 8.048383333 305.24474 citric acid 0.614083333 191.0151128 citrulline 0.62455 174.0840095 creatinine 1.046166667 112.0471834 deoxycholic acid 3.975 783.5687408 docosahexaenoic acid (DHA,cis-4,7,10,13,16,19-C22:6,n-3) 6.892633333 327.2293394 docosapentaenoic acid (cis-4,7,10,13,16-C22:5, 22n-6) 7.9686 329.2448783 eicosadienoic acid (cis-11,14-C20:2, n-6) 9.16625 307.2605353 eicosapentaenoic acid (cis-5,8,11,14,17-C20:5) 6.217233333 301.2134026 eicosenoic acid (cis-11-C20:1,n-9) 9.925466667 309.2761442 elaidic acid (trans-9-C18:1) 8.918783333 281.2449913 formylglycine 0.645516667 205.0470621 fumaric acid 0.687416667 115.0120745 glutamic acid 0.614083333 146.0413571 glutamine 0.62455 145.0572015 glycine 0.687416667 96.0158802 glycolithocholic acid 3.933083333 432.3157309 guanosine 1.2308 282.0810233 heptadecanoic acid (C17:0) 9.267 269.2444611 hippurate 1.833066667 200.0253724 histidine 0.725283333 154.0608929 homoserine 0.62455 118.0465168 hydrocortisone 2.714316667 383.1915538 hyodeoxycholic acid 3.358416667 413.2637485 indole 3.146433333 233.1131599 indole-3-butyric acid 2.334566667 210.0494919 inosine 1.2308 267.0686366 isocaproic acid 2.386966667 115.0720028 isoleucine 1.178383333 130.0828595 isolithocholic acid 4.528683333 375.2864878 isovaleric acid 1.13645 123.0405482 lactic acid 0.635033333 89.0200851 lauric acid (C12:0) 5.18315 199.1658496 leucine 1.331583333 152.0673902 linoleic acid (cis-9,12-C18:2) 7.51565 279.2292786 linolenic acid 6.412283333 277.2133794 lithocholic acid 5.0405 375.2860867 maltose 0.67695 341.1048291 mandelic acid 1.220316667 151.0352714 murocholic acid 3.2472 391.2826363 myo-inositol 0.62455 201.0337791 myristic acid (C14:0) 6.781433333 227.1972775 N-acetyl-5-hydroxytryptamine 2.038666667 435.2192555 N-acetyl-methionine 1.404933333 190.045469 N-alpha-acetyl-lysine 0.735766667 187.1044587 N-alpha-acetyl-ornithine 0.725283333 173.0878536 N-oleoylethanolamine 6.729033333 324.2871322 norepinephrine 0.735766667 190.0445192 o-acetyl-serine 0.735766667 293.1097637 oleamide 7.282733333 280.2605589 oxypurinol 1.157416667 151.0221589 palmitelaidic acid (trans-9-C16:1) 7.066733333 253.2131889 palmitic acid (C16:0) 8.6754 255.229025 paraxanthine(1,7-dimethylxanthine) 1.34205 179.0524172 p-coumaric acid 1.157416667 163.0354243 pentadecanoic acid (C15:0) 7.7107 241.2130048 phenylalanine 1.383983333 164.0671301 p-hydroxyphenyllactic acid 0.725283333 181.0451736 pipecolinic acid 0.725283333 150.0510676 proline 0.656 114.0513256 pyridoxal 1.19935 188.0418726 pyroglutamic acid 0.614083333 128.030794 quinic acid 0.725283333 383.120322 shikimic acid 0.67695 347.0785147 stearic acid (C18:0) 9.894033333 567.5336248 taurine 0.687416667 124.0096648 terephthalic acid 0.735766667 187.0036534 theanine 0.951833333 173.0996364 theophylline 1.616966667 179.0533577 thyroxine 2.9723 775.6851342 tolbutamide 3.125466667 269.0940862 trans-cinnamic acid 2.48775 295.1098057 tryptophan 1.596 203.0781133 tyrosine 1.146933333 202.044113 uracil 0.735766667 111.0150323 uridine 1.28965 265.0520584 urocanic acid 0.6036 137.0303094 ursodeoxycholic acid 3.522033333 391.2816851 valeric acid (C5:0) 0.735766667 123.0424598 valine 0.687416667 116.0671909 xanthosine 1.146933333 283.0772596 xylitol 0.735766667 303.138982 METABOLITES_END #END