#METABOLOMICS WORKBENCH flyzyn_20170115_163458 DATATRACK_ID:821 STUDY_ID:ST000568 ANALYSIS_ID:AN000874 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 POSITIVE #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 [7-CD3]-1,3,7-trimethyluric acid 167696.9025 95148.41024 97537.74688 98392.06908 94147.03759 98016.58606 97809.28914 97116.87259 99837.85148 104983.4028 101636.654 103398.7278 101461.7651 102792.7049 106060.3477 101658.0448 102619.6806 101593.3747 99134.60146 101028.0042 109046.0131 102004.1693 97715.83873 104600.6017 100591.546 103276.158 105794.8979 101395.3472 100492.9251 101093.1435 106154.2683 102318.1508 106830.01 110127.8358 106985.3913 100731.5752 107492.7542 101640.3866 103096.6275 107064.7512 4155.392122 107870.6486 3949.947875 3993.618079 4183.592297 3499.823248 3750.500088 4240.346989 3696.416735 3749.368191 3588.398885 3640.857123 3637.449905 3367.346777 3180.106665 3067.955283 3321.351832 3049.379916 3229.059844 2410.208867 2474.049742 2947.24455 3078.333359 3027.129359 3251.131117 2942.718878 3041.371588 2972.495614 2663.908872 2922.971158 2297.310399 2810.74203 2833.440193 2655.411757 2576.023866 2362.234161 2349.903888 2438.0366 2486.771308 2531.666624 2169.912498 2167.837864 2481.98954 1855.580343 2314.006543 2366.421257 2235.565509 2206.108631 2194.230736 2382.688529 2493.168234 2032.076447 1965.829307 2285.08231 2018.092763 2069.255041 2268.747417 2904.0392 2444.190113 2764.364741 2869.689572 2283.43169 2637.544946 2160.470994 3005.586502 3131.85644 2403.131162 2574.316475 2608.686026 2908.631735 2682.478179 3034.932081 2893.048873 2742.802022 2956.089316 3327.094011 3067.818116 3039.204157 2843.397185 3051.422679 3356.58849 2925.722796 2899.845422 2669.354733 3083.035205 3681.189656 3666.910673 3064.301167 3382.123514 3351.231555 3263.037257 3142.973693 3217.535086 3034.758522 4109.450412 3632.838533 3171.708054 2795.807402 2993.295152 3174.519797 3047.536453 2951.769342 2672.944789 3462.113818 2371.909492 2896.75915 2310.316627 2-aminobutyric acid 40954.1297 36481.92221 47410.38264 23109.0762 24953.54679 36757.70735 34802.76396 27931.19733 43961.76077 44971.3716 24706.20384 31000.32362 33198.62258 27857.26117 37265.75284 34762.68309 57518.39976 27279.98335 31443.69402 32475.97396 36763.96696 41203.56424 31256.67998 32025.01803 38233.21906 41996.87112 49500.29474 33907.82183 35142.33696 36234.36295 25649.27863 32012.0602 21322.32897 22588.47679 39859.19703 27590.42342 29154.8953 51356.10776 20007.3056 29092.06188 3364.486369 28865.24311 3176.265483 3460.243121 3826.900464 1750.173688 2914.504935 2925.90585 5088.606345 2328.587747 2497.132961 3192.085787 2895.479366 2711.258117 2400.279738 2290.98847 4459.34095 1989.220252 2171.328905 2738.623586 2217.606038 2158.308135 1715.355869 2029.108138 2519.432745 2568.556034 1889.205313 2121.627225 1676.626287 2126.997237 2303.834384 1584.998132 1595.27647 2358.557067 1842.121912 3052.593903 3623.4476 1439.158844 2005.194162 1700.130418 1435.429632 3363.797486 1438.987028 1362.806767 2135.871302 2382.655969 954.8847538 1513.174749 2333.673828 2203.086257 1591.310776 1142.671467 2275.090459 2033.162007 2097.968127 2177.421529 1628.692782 1869.42709 3446.138017 1455.544201 2152.315271 1643.316722 1674.070674 2028.925344 1790.180091 1889.115269 2425.528661 3338.735982 1976.729218 2702.286303 1359.731913 2808.36684 2097.779657 1965.928359 2205.974466 1862.829704 1686.306841 1962.568146 2528.893775 1337.503918 1758.796841 2828.335493 2431.699098 3087.981195 2782.942234 1816.317404 2687.062314 1923.413025 2257.252391 3440.92896 1944.047619 1993.124193 2203.208168 3772.909694 2201.858563 2626.815217 1427.006331 1659.11782 2368.855464 1934.08496 2157.329711 2600.99578 3317.079829 3830.005627 2343.397084 1774.685296 1870.652105 3,4-dehydro-proline 10568.94914 8465.607729 7752.257961 8860.546083 7066.142968 7596.545991 9055.990508 9254.418005 7357.360961 7405.521072 8471.496567 9805.800529 8645.211414 10336.60338 9066.453177 7808.604278 6874.567367 10609.81512 10117.49441 10182.76684 6310.890549 5955.596904 8196.417761 5778.510805 7101.040783 7283.129226 6707.966226 6677.960778 7315.563701 6243.077419 6215.398385 7876.08896 5442.190128 8581.442905 5743.020826 4407.757537 7702.360588 7514.67636 8609.394079 6149.251926 19394.53282 7015.660105 25213.09054 17725.30471 19914.44382 16292.82714 17172.37855 17350.56622 17897.48949 22700.14913 24451.5899 25711.14488 24321.81667 21899.18984 23209.8587 30429.7158 19763.5006 21616.00897 17598.97967 22451.93007 27150.3525 27302.9625 21526.34558 18652.63269 31172.76478 21757.05042 23362.67412 21619.57628 25286.46452 32325.13344 26286.12876 21008.36418 14101.76164 20217.67294 17963.69024 12608.19506 10564.51257 17265.79765 11263.39098 17983.54532 12609.40912 10763.11251 22687.53883 14001.11479 15664.89804 12610.17532 20497.68708 14816.54242 11798.1456 19947.49951 12734.23946 15427.19137 18104.92207 13050.38303 17339.84395 17346.00518 16632.82124 15946.71337 19146.47686 21071.82315 19681.46506 21930.65275 20079.52752 18596.84058 22612.16985 15445.29085 12472.13446 14278.30701 20386.91593 18534.08534 21962.36107 24513.55353 24878.49749 19444.2096 17685.821 13877.34 20906.34968 21861.66753 25895.7738 18485.31049 19425.61405 11651.50996 14831.95422 13264.9091 10499.22765 12749.92841 13835.73019 10040.41164 13028.02629 11181.93378 11810.09575 13113.88357 13070.25809 12297.4775 11783.71538 12940.06215 13000.19642 16078.36535 11912.52387 9449.049345 15283.50564 13481.8392 11592.77781 8912.568751 16899.26421 12935.69994 15683.92313 3-indolelactic acid 1856.747149 1366.578417 1872.872636 1478.573929 1267.631267 1708.739546 1643.288539 1234.152181 1538.786418 1474.060891 1491.311321 1305.245595 1536.106852 1086.013102 2884.246353 1473.68062 1503.489424 1642.50445 1534.248383 1438.465806 970.7843387 1559.41019 1850.964362 1364.50515 1342.563637 1242.363887 985.1704733 1090.739089 1892.80629 1438.599662 1838.992767 1597.425897 1452.969773 1131.179748 1013.587683 1648.975667 1322.460552 2188.928277 1112.840746 869.1692561 1772.118154 1535.111172 1270.154831 1545.307202 1129.691695 1507.096991 1501.037812 1541.497823 1550.379794 1593.527048 1881.575941 1740.148948 1942.637072 3050.911721 1659.717574 1985.806414 1571.896841 1541.232102 2500.109071 1561.992124 1808.981514 2425.524553 1173.17893 2108.46897 1885.856621 1385.759327 1788.346566 1747.62277 1088.391501 1431.774437 1643.777802 1350.979932 2564.960178 1343.66134 1345.073647 1104.01178 1573.967622 1254.375361 991.9499021 945.7979341 1183.923278 1435.979274 1239.963375 619.4718552 1978.944343 1544.088388 1699.477789 991.3028327 1793.430231 1353.497115 1603.704613 1321.556868 1579.592509 1292.286404 1543.547518 1186.413251 1211.195389 775.0309012 1483.944328 1515.420581 1870.785567 1847.879409 1348.477008 1082.305944 2078.334684 886.0359076 2548.773388 1533.151319 1559.456523 1310.640996 1225.18301 2042.006742 1375.208896 1846.156036 1119.802878 1291.547168 1102.0854 2048.582051 1884.308243 972.1121639 1039.011265 1553.040368 1357.491663 2002.702712 2627.074543 1329.718697 1136.845587 1153.591388 1086.392505 1948.087723 1240.017827 1289.267793 904.4340423 1332.40325 1112.373207 1913.850778 710.5401686 1279.723336 1032.910822 985.1849672 326.894351 2093.296549 716.3072817 1203.601249 1428.516245 922.8227073 747.8745502 3-methyladipic acid 1482.946911 1350.838508 3152.382015 1544.987106 1223.165675 1971.475469 1730.792091 1166.828371 1676.455489 2190.428684 1118.921964 1239.24991 1491.432212 1839.814057 1809.001734 2127.078614 3650.300332 1333.738924 1229.317381 1413.78691 1761.293749 2150.924822 1350.884725 1614.886788 1125.634786 1555.134243 2490.597358 1572.423305 1512.615988 1445.600505 1253.556837 1434.483869 1059.422062 1552.466735 1985.46822 1246.787749 1480.948234 2591.813074 946.2099489 1513.370952 2965.215265 1860.275526 2339.049534 2232.575756 2949.309998 2448.872356 2432.496003 2087.685478 4670.28922 1974.924775 2415.086499 2876.103582 2294.836035 2485.573604 1910.231263 2697.164224 3340.24232 2892.436899 3277.277373 2869.743881 2558.278 2061.781157 1999.670358 1955.564482 2723.303148 2603.659601 2241.601291 3295.270584 1830.770537 3165.241104 1804.556069 2485.798037 2556.766497 2318.756305 2258.988281 2165.439341 4001.82869 2037.468097 2796.401252 2424.326797 1833.287412 4135.116451 2265.324872 1826.591386 2096.377294 3887.730153 1224.796169 1379.141833 3786.769476 1802.42317 1643.785537 1731.775131 2075.226199 2210.146233 2148.171627 2635.152445 2475.35804 1887.294967 2586.083277 2005.792748 3438.25444 1700.5591 2560.820581 2412.293592 2526.545395 2535.471479 4208.538196 3836.808818 2510.745297 2424.168318 1806.673823 3370.872754 2132.226223 2071.683425 1833.736732 2187.326855 2298.115214 1946.136958 2321.445092 1357.41211 2178.449634 2733.661608 2782.518064 2209.837086 1617.236166 2120.468381 2631.20985 1672.924446 2221.25563 3248.606294 2273.044698 1926.667802 2358.081383 2661.81305 2920.127967 2390.243377 1821.488268 1507.707374 2425.897561 1700.730438 2441.014962 2890.87544 2302.59267 3469.630708 2316.102148 1720.344468 1629.887133 4-aminophenol 531.9774519 365.4505787 431.5432216 545.6841604 415.4487195 614.1156014 545.6866389 521.1276797 588.8087701 530.7261334 594.9944807 697.5189664 902.4354261 591.853754 705.7054631 454.5398468 691.2202923 377.0518021 718.4424573 484.9240069 579.1785142 333.9075375 349.8926003 568.7798188 313.7900312 354.4979506 656.8895722 580.0504787 527.6254757 693.1811715 641.6723166 495.8389134 381.7136831 586.3469793 569.3575877 383.6669078 556.0301642 1133.106656 370.4269662 462.8865005 1545.322358 441.499114 1506.17005 1405.366477 1549.719961 1272.744084 1472.420994 1281.879485 2185.15447 1376.785446 999.6274469 2318.452409 1980.715086 1814.876531 1774.967045 2188.15021 2119.620034 1304.049105 1192.537958 1576.38136 1677.718163 2032.628049 1129.902152 1680.669048 1622.199249 1723.78592 1389.182069 1746.08216 1303.015113 1572.228942 1311.243546 1393.932737 1402.45336 1030.430174 1364.033836 1143.55209 1553.328492 1303.418528 1069.115563 1204.080351 1333.525133 2182.987153 1306.304676 938.8582541 1378.816406 1371.389145 873.1862361 866.580141 1543.279124 1701.639893 1124.17063 775.9307996 1303.128861 1301.586228 1541.27313 1592.227013 1159.426795 1094.053775 2132.857343 1024.885287 1301.651251 988.3988531 1243.550185 1265.972814 1315.245734 1092.129951 2225.259131 1552.066589 1318.460074 1432.063604 1356.203578 1636.464347 931.0656883 1448.636254 1158.07837 969.1522401 665.3582805 1107.512686 1111.12841 1206.368509 1196.897562 1923.105667 1073.332625 1207.335621 1554.541669 1362.105981 1313.114981 1128.6571 982.23298 1444.57157 819.9197646 1087.71157 902.2711563 1411.538301 1039.989855 1269.844459 1063.952131 925.0741 1104.619408 1182.671129 1605.772841 807.934992 1685.108638 1668.197858 1676.504203 923.7996304 789.9488848 4-hydroxy-proline 98230.69967 3147.780007 27824.00442 6354.129163 55353.69992 70660.58164 8151.572659 67936.37665 7039.833183 5917.156559 43989.67733 30244.21077 86101.05735 22689.52106 62604.66402 62524.64871 100956.5029 88834.8365 88455.60459 29743.42636 12244.05326 158830.8173 15037.22265 139334.8187 6375.552535 48605.56886 29215.74565 145722.7304 5781.816658 20159.69551 2965.696703 21105.61743 39925.29389 6204.56761 56601.45231 32830.41121 29421.80631 25742.72542 1578.160032 41384.13567 5456.844881 59332.48548 45002.26118 4989.545651 1022.777901 26804.79327 10652.43174 1623.321674 71761.51992 1483.874521 3486.965031 6216.46644 13959.77776 2874.46946 6046.447916 21116.02743 3611.299404 3856.812881 2229.522469 23455.85052 5438.594883 5513.222821 4684.362427 3730.454871 1809.427454 19524.16629 34794.76414 30217.27713 17461.69285 7910.629406 37369.94604 6053.094425 23972.5061 9350.958734 64082.79281 492.3910769 1430.090182 707.0246603 1724.65116 39278.79331 20488.52588 838.8588982 11286.47362 24270.85966 775.0507469 26734.49184 50235.27725 7202.813521 5794.613819 1229.854357 5429.919005 43003.46685 5713.575806 2075.03843 1315.90922 5976.992341 17873.37317 1591.339122 851.5297638 8696.848928 1506.955852 1014.985913 9180.042401 2848.673589 1889.40799 11099.20502 3975.627803 6484.513132 17506.45944 33311.96311 1710.060491 20861.40676 22547.18983 5963.293857 31731.09889 2243.57422 7227.136137 2000.127139 1381.311434 32163.25221 26754.9905 1283.408333 17965.05711 7265.062697 3629.078855 19770.94829 5028.303006 2006.133959 5503.906473 2016.898395 616.0316655 1152.917389 3973.451459 14622.16862 16264.1495 32735.36738 2860.51976 3004.087517 1114.488474 36037.34231 3328.029834 16578.40101 6044.223207 3961.023546 32974.76238 1532.251523 13549.63812 5-aminolevulinic acid 47899.20212 58338.51898 77957.17502 36400.60835 59510.68127 65203.06609 72586.45032 55862.66322 70480.20785 60228.89666 62815.30142 66719.58426 72304.43267 52494.69175 85388.81107 75521.63386 66715.51238 52679.78194 54245.22149 44707.60809 54757.83217 65669.54623 48712.87919 49453.47281 56110.75791 45319.32122 77343.84775 41736.47107 52176.84982 47085.47847 62508.12787 52457.09549 37812.9324 43473.55055 65963.04884 39797.1068 47808.68643 141483.5594 43994.37602 47318.89702 9736.918593 49798.86675 16076.85393 31337.5 8273.155608 21634.1449 19356.05291 16461.17872 22795.01297 7384.949502 15569.33265 10758.73781 12197.47747 25774.55566 15094.85364 16031.96888 12151.57205 10964.61254 11470.46963 18818.43478 8211.283691 16914.17064 9351.743093 10209.22237 8639.262892 12199.74744 10610.04783 7926.43284 8065.8879 14551.89564 10446.69325 9012.102437 18895.66672 7030.958014 19870.84398 13118.92969 15736.04549 15820.43145 24431.29642 12494.9215 18194.56882 29460.63881 9738.632354 12716.71927 19939.92537 10477.96801 21446.40637 23117.3592 33529.92673 20011.70754 25680.84186 11168.34101 21704.73051 7905.926894 15567.00667 12969.01381 12026.23026 19724.64023 10186.62169 7645.451362 24855.75778 11580.10699 7359.856323 12391.40189 17146.12229 22703.39423 24073.68398 12184.6768 8902.029022 9040.472331 11670.3298 8412.153208 5528.403884 12690.41739 4643.876208 11966.86081 5671.29111 23591.71019 6349.649217 5177.572729 6150.394881 21563.68495 8093.820406 12896.3125 31907.32532 18167.91877 10548.08587 15979.23089 12046.05956 14173.67182 16527.10274 15264.69961 15391.22446 24040.72301 7417.580149 14250.28715 19074.80096 10796.64762 24003.37627 19436.12632 9600.76804 11948.31587 17281.50647 18587.3024 8805.336817 15016.04835 4276.314987 acetyl-carnitine 1686.518653 3415.684725 84.26609332 1208.254455 1109.270706 966.0368285 354.907029 1570.084327 292.7445174 63.86030791 2459.485836 1944.375715 1731.858879 1530.39826 1247.098331 407.8830995 149.8812697 2515.538185 1065.655364 1023.461297 1600.761468 57.21358579 1838.190594 1551.934231 2418.22946 1369.830984 909.5584802 1150.233925 558.5194392 3013.993884 1635.325446 1481.932911 1636.910633 2333.430629 104.5014357 521.8481545 3107.251019 293.2208275 2305.719733 1354.152188 4835.295104 1903.094192 5451.960704 4856.087742 2370.332007 4879.728752 1288.379711 8324.693191 136.5565769 2587.816729 5219.997743 2425.642902 3300.90292 635.9371069 4759.319501 3725.543915 97.14490596 1969.575196 454.2622856 206.9586119 3408.281927 9170.651213 4996.244602 5081.939316 1113.785338 300.0827599 2689.866332 2532.426695 5485.338269 3700.357324 4088.950416 2189.439159 2909.130028 1936.800457 1341.823036 2630.137585 620.7973354 4080.506346 1578.39079 2197.228747 2473.441088 176.3748107 2556.153893 690.8468484 7765.818566 775.8913986 6754.344489 3612.553205 1512.482752 5968.341287 2949.597946 3370.677155 3958.975961 364.3697182 3694.988743 1361.836451 3442.110405 2964.596536 255.2899634 2513.348458 1619.250239 4479.607198 4008.83256 2251.725446 3171.913839 1334.321188 311.6527185 153.9250669 2077.578672 400.6652683 3704.821788 170.4955726 3066.121798 2789.94719 2790.734002 710.7800091 2593.779735 4899.180889 1906.648108 5541.44049 840.239697 647.8831434 1490.004852 521.7273686 1805.462752 2578.180139 3302.066722 3988.245344 1505.618133 1477.861246 412.2219723 1867.043186 1906.554085 351.222487 2327.621441 2002.840923 2993.818306 7316.081893 2162.529814 6596.590037 1863.394349 337.6901499 308.4698446 430.9525492 3095.588532 3757.12926 12152.033 adenine 9686.507102 10148.52618 14602.0059 10011.62845 10858.25513 13371.15897 11356.60166 9525.798041 12121.43026 12147.0547 12193.22857 14087.65137 13735.76319 11145.87143 15344.85552 13947.21832 10878.2288 11598.68747 13132.24161 12366.9577 12097.46249 10117.63245 12394.42146 9202.562293 10772.47363 10729.39542 15227.70506 10607.52294 11863.66413 8872.260043 10039.32324 13405.58134 11699.32386 10307.51887 12039.23226 8848.07401 10857.89438 31259.66984 9824.530393 11313.05075 28574.2075 11725.72455 25859.80767 33515.80725 33775.47113 20273.03335 27255.89726 24788.06994 36536.24942 23625.15464 29253.45908 35278.82906 35070.15906 34554.75496 27263.94101 36945.54853 41052.7499 26613.73356 23447.89236 30134.64631 41097.69348 40034.95075 29389.20468 42851.99928 32420.6029 37203.85791 35885.12057 31314.69503 26989.21083 25996.33706 21776.43399 26849.49428 32225.6619 16594.58238 32220.00188 19898.29296 31077.09771 28777.90342 26377.0568 22351.25014 30328.96377 36523.00934 26472.27426 19768.56942 23498.45547 23445.82611 23719.50045 27787.74243 33973.67193 30159.36305 24789.59632 20802.61638 30509.15711 29870.23133 29728.60533 33753.51778 25174.77938 24913.11192 31303.80054 20904.32455 39025.19392 25992.357 22868.70725 34628.9188 32226.15861 24841.42161 27874.11156 31489.35823 25005.86992 34557.82623 22011.50038 35647.37825 27889.94929 27083.73292 23275.53371 25756.11206 24273.48803 23977.18397 29489.42715 26884.79331 24912.28999 34422.29939 20734.01826 16980.70675 32548.18558 32748.8671 22928.61968 27850.01998 30076.15267 24608.52698 22163.09981 23430.30622 24570.40624 30696.06606 23861.08923 25213.62964 26723.8312 22715.84231 23053.24767 19748.74408 27357.96758 24653.49259 30172.66683 33156.98431 25536.52057 19506.24862 16368.40842 carnosine 81837.46575 51162.11742 50002.30009 52250.74197 49709.70785 51619.72846 38765.4916 48710.76887 47961.58138 51894.91139 49915.84176 51808.17063 48847.48619 49178.40993 49663.78707 48157.63735 49034.77529 48293.72781 51114.89117 47948.95737 51547.84006 49852.55557 50097.13343 49173.23244 49644.49768 50355.39868 50155.24111 49064.55582 47595.57454 48321.30683 49950.17405 47947.13302 51252.50279 53864.12547 47639.82508 49210.69292 48400.1043 46889.35743 51545.5847 50088.73256 81908.83144 47470.64719 90129.51103 81322.93441 86953.68814 84266.06029 88073.99811 85547.68386 83697.68586 83266.76493 85243.81713 85513.73562 80933.88059 79502.60914 81498.37054 155358.9739 79920.76384 81834.50579 76658.92588 76521.16542 84026.94859 77533.30931 84575.07441 78802.65826 80623.0182 77825.11318 85371.47357 81848.0671 80478.51167 77573.6622 86738.525 84975.45743 88089.90293 85840.52707 82348.68497 80446.11543 77075.09964 83850.95532 82181.0332 77172.4944 81039.35139 71404.39073 73333.31528 78066.01227 72352.56237 80024.46832 80415.85429 80474.26874 73206.03476 76340.48885 73673.56804 75755.40717 75288.5708 79359.82459 68607.15908 72660.00701 75029.04762 77145.66294 70631.39246 74017.37565 74478.11285 75986.31855 71001.52218 69043.6199 70795.86487 70211.92836 76028.09097 73253.41889 75829.57953 69549.92337 68523.94419 70395.10964 67978.56234 75757.8364 72904.16664 69118.1705 70129.7305 69488.27164 80521.64804 71100.46879 70764.28532 67411.49524 75780.49424 67933.92023 73640.77779 73571.72385 67756.51828 66565.3402 75351.30559 69783.18208 70742.06831 73196.47559 73426.93055 75068.1148 72183.72985 70892.139 69301.4583 69953.05817 71275.73774 66467.52057 67240.62967 66355.69468 63160.67912 72443.6535 64957.77796 73166.23636 65997.26013 creatine 79972.43966 91704.0248 114693.5903 52717.18755 80322.47249 98481.77252 108935.8196 84297.87092 108312.2833 89562.21397 80997.67203 102561.1553 104666.3985 75241.18567 134542.0381 105581.2013 102254.0055 80022.40082 82152.45836 69133.47754 75243.91717 76811.51875 69731.24392 71136.54538 80922.90098 66495.06991 113613.9656 62836.63064 80953.21978 71006.61881 86276.58558 77501.66902 47741.96693 61007.32232 87797.12202 59355.88477 66117.87894 229677.6691 58287.5499 64345.77354 5844.421745 69563.1913 5959.604346 8493.784686 5729.968493 5280.389727 7070.870941 5292.760742 9850.793293 5613.720558 6083.376336 9785.549459 8648.829386 9830.168698 7077.853074 7368.760542 9688.157215 5126.174111 6000.131339 6570.659345 6719.417905 6667.394098 4425.088309 6745.313395 6359.459096 5730.118382 5790.58451 5361.234872 4210.487335 5019.973546 4061.604116 4293.664586 4957.340864 3884.919926 5438.9156 4396.671695 6813.838643 5039.166105 5482.46194 4043.653392 4670.740678 6948.448989 3647.397377 3424.869036 4100.597117 4006.007297 3665.982318 4529.439957 6779.871981 5439.17046 4425.676154 3877.112344 4807.787393 4141.874188 4988.199898 5449.99118 3382.657048 3667.731172 6188.786935 4481.800197 7594.911752 5580.215156 4858.782612 6708.181249 8585.730688 6147.159769 7096.183307 6349.30272 4795.820057 7037.883544 5178.548405 7479.505949 6011.942158 5053.712677 5155.361194 5445.168562 3820.090132 5999.980597 5853.368318 4154.219966 4680.755238 8477.792062 4762.26535 5626.504473 8546.951374 6601.817024 5020.47538 5815.702853 4896.498395 6666.44662 5272.075261 4763.318983 3925.073752 6617.606917 4580.856823 6161.265501 5370.923562 4844.96049 6431.883005 3846.064518 4515.899197 4772.59488 7255.628562 8417.641551 5704.271753 3622.039255 2845.639786 farnesol 3747.440486 3034.861094 1800.866239 2859.744029 2434.043585 1456.836535 1465.81554 945.6578519 3095.111305 3311.817756 2423.676788 2224.024209 1369.726428 1118.980664 2789.112572 690.0452576 1788.308293 1881.621019 1383.702264 2615.11284 956.8995349 4396.651568 2595.845458 3721.617131 1046.902262 2209.999413 3192.732573 2339.798375 2554.127751 1446.04605 4657.372127 1352.389606 1212.710968 2584.993567 1987.240207 5361.931891 3372.813019 911.2079608 2497.974251 2367.271139 1640.39559 2171.17158 3897.622719 2018.205306 5873.117197 6285.047028 5672.401522 3131.78508 4207.344866 4628.035277 8845.746005 5660.284167 2942.187192 4236.237729 2818.076182 5844.192859 4554.616976 2851.060783 4085.554924 4218.398243 7235.507931 7202.681985 5038.119285 4109.467232 4086.436965 7242.573359 5205.764113 2844.210879 3428.355704 6386.247907 5957.734607 4691.902213 6827.340026 3136.659695 3532.824917 4319.215973 5138.839123 5330.29353 6692.176963 4148.580419 5502.553052 5452.318609 3128.250953 5205.72387 8209.179144 6727.744758 6328.255006 5176.123585 5548.669168 5709.092074 2414.820834 2631.383368 3572.022802 4308.626045 3880.407104 5429.783002 2266.955139 2227.389995 5943.545668 2332.073194 3302.752685 4427.870423 4381.557222 4454.503872 4786.369982 6355.871876 5430.909428 3928.090013 5035.875193 4028.798051 3110.819374 6614.972982 5961.181668 3264.62725 2248.336711 4553.221179 4440.539798 4480.275471 4721.589933 3961.511934 7714.470737 6332.968261 3646.465281 3250.991051 2917.372046 3438.741737 4138.76677 4736.478109 3196.487565 3421.970145 5290.432677 4907.335286 2852.632699 1263.556505 2360.411785 3391.448523 2483.735498 5673.660919 4726.614824 3167.631161 1536.480739 5436.192057 4493.962265 2386.155695 2629.268259 3631.674636 2378.724847 glucose-6-phosphate 3164.315396 2391.593272 2368.929522 2628.31989 2481.689358 2718.406873 95118.53417 2751.270389 2586.859458 3147.814957 1962.769066 2648.440074 2458.964573 2334.00654 2924.507734 2381.461762 2617.764478 2822.27304 2435.154785 2837.440379 2684.921935 2285.885982 2641.263398 2592.27632 2574.127545 2352.738621 2761.132132 2390.705051 2450.773664 2566.325742 2696.62708 2766.492697 2913.991747 2629.114305 2549.169103 2854.98367 2730.757391 2570.397924 2535.859926 2741.870848 2940.204004 2934.079564 2667.879811 2528.754559 2806.181987 2313.712442 2469.850532 2295.337966 2666.053563 2779.532252 2820.987227 2038.102457 3184.702746 2503.245592 2326.277266 3045.072211 2287.92734 2458.994433 2124.174487 2393.271488 2711.719968 2628.180838 2984.185582 2663.913172 2154.609244 2866.230068 2582.333094 1779.08181 2402.939828 2351.874706 2454.60528 3118.00409 2504.733197 2640.467389 2504.004614 2439.028297 2205.935749 2611.969018 2567.896525 2286.824086 2660.18821 1338.942384 2259.765414 2001.988765 2120.070971 2706.065729 2380.948753 2582.790169 2123.583157 2749.1764 2348.318679 2267.459659 1919.746665 2877.997034 2419.234103 2390.257911 2607.998324 1777.17933 2154.363884 2372.928599 2508.487478 2123.410619 2528.384214 1517.357113 1954.270958 1958.481569 2014.112624 2108.488378 2870.244449 2401.233741 1987.888856 2521.729991 2145.412762 2304.955836 2293.168788 1885.386054 1839.832299 2154.120896 1986.004678 2135.511486 2494.337466 1799.859546 2195.534192 2430.573652 2222.146367 2444.437655 2343.609519 2408.459732 2508.014307 2486.580331 2058.43606 2077.970661 2290.282431 2173.24214 2215.174231 2410.248971 2507.514547 1961.287655 2285.252806 2151.753283 1800.042878 1661.626965 1989.427352 2314.093771 1931.572491 2429.024686 2185.560387 glycohyocholic acid 378.1221855 252.2697243 954.7103448 466.0682739 21853.45683 581.8561107 1374.597491 734.7099342 410.4311182 1602.218901 2134.947405 989.3865781 628.2776395 292.6830595 2476.544764 8186.238693 1921.743062 472.2571375 654.4408998 418.8254716 1245.219384 309.2967755 172.4355267 1268.370719 957.4285157 781.070632 506.8469405 2068.415809 819.5825438 978.7158601 361.0115899 5298.718284 217.4716849 1091.762155 303.1642551 204.0349831 265.0549371 680.0109547 521.001531 912.4676866 396.4586667 792.4175326 429.3873431 385.6623708 301.8584143 666.9494094 346.2839375 170.2325232 1294.334083 703.5810446 1046.154581 278.5697329 982.3701114 1366.616538 338.4971399 1284.387183 509.3304614 365.4840714 488.5660882 726.0100563 1635.638914 1042.466068 409.0949944 534.930335 229.745115 351.369652 1212.181192 1012.142844 400.9753996 302.4226073 1565.209035 1287.519965 1132.923883 691.1061646 559.2787167 1165.909426 1760.469553 632.9121883 327.0545383 333.3949914 1300.013695 696.7559626 638.4865482 522.5403733 488.0055448 353.3187169 829.3789104 1358.567911 419.2308 684.7386134 245.103509 246.7750732 336.711075 347.0485041 315.1527856 298.6492455 2143.193776 671.1490099 582.0090677 1446.146478 563.3195014 544.2248056 948.7220213 947.3266164 786.1967537 724.6394802 725.4842549 564.4784336 428.2903068 1457.367686 315.0927422 583.2576322 742.9687217 322.2613529 627.0366574 437.5312621 1083.499048 1203.27916 311.7451227 920.1353694 254.3843131 3969.486438 284.7619297 357.7789272 406.7355388 1865.970129 1685.986528 307.0939598 1048.127845 1066.088939 533.9121936 570.0712407 757.1447152 564.2979811 142.8885786 231.7725364 262.5883384 331.4350119 322.2914635 830.9499269 209.3613134 371.493452 204.2766263 849.9917489 483.2182146 68.29981117 545.2854338 guanidineacetic acid 58741.0928 77653.80824 70856.86609 66833.83529 72709.24845 77132.6858 77998.84087 62036.12301 76105.30819 63302.8441 72632.50999 69597.18785 77233.88019 67941.23312 77682.84753 72765.85527 65369.78819 69953.27126 66156.1294 66206.69205 63868.38276 64427.43237 60328.97324 58824.42763 60096.90315 58596.55274 73481.39309 59423.22508 63521.75698 56933.49405 69199.78456 59495.14578 51917.19276 58967.16896 62813.22192 65083.74897 60359.01013 83725.53724 50502.3099 59030.78481 2595.545226 62215.5269 1954.029671 2893.140159 2048.175508 2072.445068 2778.940367 2196.054432 2456.096859 2016.045805 2136.243203 2548.022256 2850.380334 2314.559794 2268.094453 1951.347213 1822.87795 2032.655898 1800.336617 1703.750356 1929.010096 1896.8864 2017.405907 2288.772894 1870.934042 1649.403884 1749.143905 1964.342124 1611.545059 1675.665635 1603.832456 1149.670993 1580.664971 1603.790391 1451.180396 1083.830676 1629.802955 1487.785688 1317.26905 1323.11133 1151.255722 1119.580138 1224.063899 1160.892967 1166.17318 1274.008952 1317.36514 1283.537717 1583.785332 1424.083614 1691.485176 1243.019118 1365.46046 1600.226749 1308.008737 1485.358121 1163.525454 1273.5675 1414.421068 1665.596037 1698.250494 1467.818488 1518.633973 1562.261811 1828.331535 1648.481455 1654.92307 1613.377656 1272.27414 1665.365122 2030.497227 1910.519686 2256.332035 1955.98009 1931.935268 1753.231957 1946.326306 2015.860532 1719.81679 1517.434668 1616.35705 2008.452571 1796.079589 1772.34279 2065.076727 2161.21674 1943.104839 2273.99992 2261.564613 1819.705775 1610.62321 1760.978297 1702.362489 2034.017125 1458.133994 2130.493143 1965.720172 1714.249029 1703.916675 1596.801551 1834.836179 1955.31314 2279.883357 1678.448136 1351.792872 1582.249449 1421.854005 hexanoylcarnitine 2143.329323 3809.444878 457.385638 628.421469 3295.42725 1067.552454 1473.32263 2145.186122 1831.409774 402.4537245 1946.969713 2168.954235 2563.193942 2574.167623 1876.35276 1521.537443 598.9073718 3709.692014 1583.495764 1728.148425 1720.257513 270.2085496 2100.379819 1215.979107 6910.565169 1917.277371 1577.982337 760.1102256 1754.797572 3209.932477 3036.963684 1813.088674 2727.031889 7880.123712 665.566159 623.4805728 3930.131441 173.4989702 1825.410948 1443.257199 2095.652354 1795.295913 2483.913389 3378.090371 1285.1693 3166.521844 1561.007936 2786.487445 282.0195571 1515.574681 2580.609973 7029.649097 2414.843606 1238.640227 3826.965176 3685.856066 575.2904708 1622.569562 1302.876753 1828.433464 3567.670042 4486.108898 10621.85907 6268.719437 1104.745521 346.0671496 3678.648766 1388.060135 2683.424319 2384.015942 4460.947235 3908.150593 2353.113616 447.158615 17250.87756 2143.0205 287.7328885 868.0496615 1934.961111 1672.410526 1970.529578 847.0940818 2022.055593 2135.53952 3750.784823 495.7526226 6888.412058 2304.311175 733.8378002 6723.939405 1889.29206 1740.171411 1694.967678 1098.013836 2603.427923 1663.288362 1182.615902 2331.055926 609.0793316 1223.296815 2383.947569 9690.351967 2131.66959 1557.797233 3948.393753 1518.049482 676.6610911 629.201113 1598.816364 243.4259002 2531.961334 705.2249653 1697.26422 2955.317123 1786.304964 2982.298304 1528.276778 3888.351701 9234.871987 3387.888305 5582.27161 738.7774166 1147.706446 1364.806821 1873.49167 3087.33846 1160.518755 3172.385952 1943.273923 707.6665295 806.3424947 815.9747437 1707.635385 489.0624935 1243.856283 1674.224217 2625.865747 1690.337362 1180.848492 1451.248519 867.5287573 314.2101295 884.1996847 116.8007381 2135.891137 2131.700481 5004.549827 hippurate 34638.14928 32651.34419 35250.14477 36988.22607 36712.4241 32935.25548 28482.1052 29801.61239 29943.10978 35842.97809 35096.84893 39679.70036 36956.76589 35227.45056 36926.06748 36686.58294 34102.69788 36691.45007 35636.01916 33830.42086 37123.73865 36290.39245 35379.94206 33011.56828 34628.96382 35373.58678 35284.50887 35013.58825 34230.46576 34344.39411 36533.59463 33986.2397 35435.73689 38025.98209 35808.10875 35954.84917 36340.57179 34161.63194 33748.14657 31317.87924 93389.86053 38723.3084 93120.3714 99342.29223 95812.35488 95649.99173 93663.87206 98073.86934 92556.39009 96063.72719 91784.22963 97954.43269 101146.5225 99413.06649 97080.91045 106401.69 95544.60938 81487.57064 91546.74243 93381.92807 96274.24939 91004.0948 92188.43596 99791.48191 92148.17701 94696.81442 97101.18052 99496.96673 92473.96367 98710.03406 98664.51595 87472.9444 91598.64761 92562.04876 90122.14496 94960.03421 96936.44785 96735.33689 94951.0225 97145.43044 89269.05255 89413.25819 88730.32072 81573.53863 88771.89201 91758.00615 87667.81482 89282.2562 91056.23564 93635.70632 87211.0973 87625.34801 80107.13915 89292.89784 79660.80849 77663.45794 89526.28937 79916.10512 78926.9212 71430.26551 76945.7321 82534.80185 85656.59818 89280.0263 87219.2263 74129.07123 86804.84031 86392.32202 82609.61174 80421.73155 81371.76898 81178.52272 73912.87829 73630.98576 71770.68963 79886.57347 89429.9635 77617.83254 89094.0194 76596.77729 74560.04286 75885.49836 71874.89109 78464.04676 74894.37315 70641.58698 77002.43714 57365.33934 77732.85974 75276.2327 66457.00346 71379.86353 68226.69149 65780.354 66323.38391 85980.35238 58162.0105 66390.2958 84642.92394 77994.51696 74169.09171 76550.75806 78810.20257 69003.614 72489.0723 60985.21049 74948.96264 homocysteine 34501.3553 34230.60779 47464.75309 31958.98842 36337.45887 43713.15557 36798.93151 31190.96234 39407.62165 39284.75184 38556.59304 45403.83778 44340.97055 36231.23473 46680.87253 42383.41637 36715.61571 36806.36372 40577.3496 38166.3024 39242.53608 32542.74867 38009.8362 27016.8079 31633.33245 30009.15011 48568.77083 29677.75074 35433.43855 28062.13582 32148.79818 42355.60459 34910.88516 29462.04969 38146.05731 25274.18533 31594.97937 98735.76878 26417.17466 32574.31566 2971.442029 31638.55874 2805.566044 3422.505416 3380.565845 2917.801395 3634.714427 3032.700132 3937.230852 2687.361132 2862.289238 3303.999102 3631.694729 3711.807873 2451.759732 3579.394019 3537.813442 2567.929113 2094.449617 2866.198713 3277.725986 3463.985845 2450.51158 4196.533543 4602.503581 2879.192827 4557.057605 3255.115126 2453.255563 2498.117599 3322.778888 2021.843943 2794.186064 2603.105782 2998.371638 2214.890219 2947.316908 2805.358655 2620.248484 2287.787309 2842.314523 2930.511219 2554.928957 2677.968407 3524.785585 2769.112441 1901.773894 2982.585681 2720.602494 2324.514259 2271.437141 1633.025228 3309.5784 2799.734965 2692.146482 2773.71487 2279.360416 2787.94903 3750.770401 1992.720929 4170.983716 2731.620246 2809.621499 3123.986646 3147.571997 2125.836943 2573.191615 2943.734467 2071.663351 3008.341509 2164.135651 2969.821037 2998.289709 2637.055785 2521.554055 3008.277223 2999.683413 2806.51467 2562.375562 2702.882717 2678.287686 2963.308133 1842.256543 1833.92757 2945.067521 2707.815959 2008.775504 3229.571036 3003.620083 2624.421086 2306.137797 2812.68656 2717.124817 3248.220598 2262.534727 2687.995386 2652.004596 2271.676878 2325.857569 2039.725375 2609.043438 2012.371805 2604.428113 3269.106108 2947.662866 1947.297541 2163.870589 indole-3-butyric acid 1245.676742 851.3836114 1088.863705 814.3247801 1307.818186 1115.723959 1006.797972 935.6537621 1842.704902 1162.663554 1874.860635 1257.095457 1406.057403 1424.346238 1660.82099 938.9414362 1304.281764 1086.510989 1693.422927 1514.584192 991.1950964 1255.240773 960.6741808 1355.722277 10973.98969 926.390236 831.7957394 696.23875 1957.964994 1361.275514 1482.181982 872.7142439 1077.309928 1642.486053 1354.771882 2197.031295 793.0140579 1804.271595 760.4684533 16614.17094 2435.520009 1268.508782 1937.536477 2439.478892 53689.1211 2231.306249 1629.341324 5907.284082 2002.851693 2057.777708 694.5756929 5427.331109 1342.665315 2534.65003 1104.937262 4464.620679 1782.316657 2879.415662 1702.961294 1820.414275 3823.228718 3040.732816 863.2318046 658.0341158 465.6742773 1183.932743 1548.7414 60917.72934 2587.302759 9335.215037 2470.210284 1386.587987 1512.019718 8300.0381 1425.079683 1709.784597 852.8214147 588.7474986 883.2840095 4368.214919 1560.346878 3149.531954 766.7828366 1075.140925 1990.060837 880.8450527 1473.356442 995.2839977 910.0278829 4331.23486 834.6923256 1926.640504 8170.866694 3950.28823 510.0720209 1300.416996 2082.81271 2029.2232 631.969802 1726.807379 1042.230934 1833.931155 717.7450687 971.7326672 1535.009427 1466.799849 972.7027741 912.3067171 915.7694514 1382.736741 1098.375058 988.3419966 3678.903105 1947.329639 277.5601111 1591.675297 557.6898037 522.4338322 1987.139321 908.5684534 1170.901429 907.2228735 1176.561757 1587.124021 1586.141776 1622.737057 2327.846465 905.7582662 471.9272451 1928.575373 874.6157631 1466.583286 2477.835145 1775.450267 1255.145739 1720.638097 1084.35635 1494.076495 1914.75708 1085.35935 941.3766954 514.4370648 738.1958492 1627.175811 1539.332049 2625.244613 332.5227197 kynurenine 291.5102978 259.3693524 325.4485284 233.0013479 264.3836747 266.5813156 324.2953638 202.9151467 331.45255 360.7550874 361.6320697 428.720544 146.1778599 236.2265479 462.8122497 396.1652058 422.9652259 280.0460081 242.7178984 367.372285 218.9003709 392.9287932 198.0599779 280.672139 362.5433277 355.8521676 469.7330999 162.8298172 358.8223954 344.8713808 213.1157329 262.0432611 321.8329146 254.0152821 242.2091903 194.9855631 304.2446273 557.1860407 360.5674868 284.8402603 461.5253673 205.8797882 318.1204771 501.7405474 468.9881394 564.9984523 288.620595 473.0291895 830.5751778 447.2332022 265.4271158 492.6816371 551.6327505 501.8986495 536.5880518 754.5255542 544.7606809 396.2022381 438.9048786 167.395153 569.5806659 702.9142461 388.0715604 564.3141873 220.1165855 346.9826344 851.4903333 535.7809795 421.3306999 369.2957234 604.7557752 480.4247712 738.6872932 121.3682648 486.1496939 516.2041522 829.5931771 466.7427701 427.1872898 372.0666116 482.1323693 221.6894541 389.9921977 330.3223244 483.1193413 512.329677 586.2649447 355.8170318 652.2277718 761.2490871 247.512661 595.3215487 277.0880298 463.0847428 528.432695 367.1039691 333.6155919 218.6880673 447.9053074 451.2618079 507.1968633 295.1306817 247.6742848 317.4861369 422.3164709 446.8553129 476.3487783 580.9630656 341.8611006 415.9208829 437.2933662 472.4981724 718.1829976 391.6894104 458.6089611 421.9408281 436.1053131 442.2032123 443.499196 264.8349173 181.1346726 270.6694522 450.5562454 253.2211779 277.0457944 390.1492449 353.8808792 620.8521339 594.6359526 366.392843 490.144889 250.2550898 395.9918035 351.0981923 464.0082314 570.7316471 353.6235401 411.4852969 623.680962 320.1425394 433.5466827 443.98478 329.4847775 302.30658 571.7430961 343.9957925 104.4493759 methionine sulfoxide 44099.22965 41114.92464 60642.3857 33001.5375 47055.75353 51464.07118 68340.19592 35292.41716 63558.73504 42007.9078 38856.83169 62416.23766 53723.11694 41956.43322 63067.77155 50862.73367 59361.68122 41586.25192 61535.46758 37998.18797 47222.05034 46761.63633 41349.6332 47352.14737 40003.90091 40126.71184 63082.16241 33108.19485 46370.25113 39653.46152 36286.23541 38535.54775 29396.77695 34448.37472 41065.86097 31279.96029 35873.82395 103151.3223 28260.07779 37199.5348 6911.375867 49344.52999 8237.403799 9381.754626 8397.467203 6742.155279 7861.885411 7341.570613 12816.27501 5750.59085 6964.411556 11538.69136 9979.433282 10489.93093 8314.746998 9985.719353 12423.72634 7200.2322 6261.544476 8208.479724 9892.713536 8429.693972 6079.327151 10099.64775 7631.863991 7769.795276 8255.332747 8259.629332 6033.884627 6645.860233 6077.002221 7185.573796 6323.529987 5003.015681 6709.388073 5766.338994 8863.551619 5941.231764 7025.89678 5254.859252 6791.887317 8695.463652 6035.010404 4441.796162 5131.568434 6215.365009 6453.827641 5559.74377 7500.551695 7276.996494 5127.697069 4361.577022 7693.066488 6728.023807 7759.649763 6694.211294 4865.694789 6285.526735 7504.649516 5165.89616 9313.545833 6325.287062 5462.508395 7672.485647 8231.60394 5413.544089 6507.612693 8360.522885 5626.901686 9882.926657 5947.313112 8726.350081 7101.593931 5704.955794 5727.892181 7461.050482 5998.898458 7515.641556 6790.170164 5386.794043 6544.16084 9551.416561 6144.371704 7331.961803 9464.940939 7619.239925 5937.042959 6657.053004 6212.247504 7163.037202 5504.601587 5319.421937 5179.944491 8105.90979 7547.626963 7130.000107 5276.758785 5101.511048 5955.827034 4338.084668 6204.821575 6383.933973 8704.252051 8518.916559 7210.751547 4809.675454 4938.026013 N-alpha-acetyl-ornithine 4857.260327 5411.46131 7147.83526 6056.456379 3407.583521 5953.223345 4484.953398 1461.715743 9816.71926 8354.201961 3851.80286 6364.443395 9092.017271 7109.655249 11202.95528 8220.041582 13476.1048 5379.003415 8293.793214 4561.043725 8097.96911 11321.5027 7465.114895 5884.107869 1894.654203 5508.964755 6615.376016 8290.193141 5045.558788 5988.629485 6353.434128 6279.256462 3632.890612 2261.714384 9090.977109 4380.385725 4795.93911 25047.61991 2690.75339 6075.780369 17440.94818 5195.160517 15548.74007 20159.88147 20435.01138 7759.919887 16558.45053 6073.92264 32803.06733 13138.95426 8055.058723 14235.33956 11814.66136 7980.168939 11612.35357 19548.19378 21527.65128 16901.4544 19994.11785 22693.95141 18392.3938 14995.41621 3829.629357 16555.6285 21411.91579 23854.15224 19344.36707 21030.12401 10965.4193 15124.60201 15181.32735 23842.9799 21450.43934 12894.65174 18156.03788 13477.11359 26510.23824 12297.73671 14097.62364 18093.24371 16118.18397 39677.86999 12270.65082 11645.68193 10600.34051 19939.26186 10205.49549 8906.065818 27128.43995 11917.97957 12755.57254 9789.745389 21486.76423 17583.0982 21934.50905 21620.52695 18350.16989 12156.86985 10370.616 7527.99239 19905.52034 12408.75564 12307.52535 11555.26432 13388.34977 16552.689 32236.30826 22378.44812 10462.00017 26697.90307 8392.386213 18480.73002 15009.78383 11639.62101 13217.56773 13865.89201 13662.93764 11164.8925 12453.3737 13554.71065 14104.75412 16104.33639 15925.94626 9866.180842 5679.502362 11549.28333 15259.40658 15092.74024 10051.60915 14957.23909 11541.42768 7582.513371 13422.22137 22646.89484 16116.63928 22645.41531 10663.24114 11613.54281 13512.11893 8637.918905 15136.1227 20022.30733 23930.4606 27994.22991 15353.53626 5571.808896 8526.653533 norleucine 31103.20001 36359.07508 40684.66253 19139.89094 28190.19806 32058.75324 37542.227 28378.4098 39395.49795 31856.00999 28019.13821 36900.26847 34787.57444 27287.59858 58704.78449 39128.52442 39537.18268 28885.47015 27426.16356 25015.59689 29721.92414 32057.69995 27538.71852 26174.73188 31682.38538 27225.31412 37007.0181 23343.62712 31476.08914 28321.79608 32305.70234 30146.00459 18503.19402 21738.72538 31591.73658 21680.957 23161.54839 95402.42214 19498.89793 21448.56137 53242.49343 23428.57246 55749.91404 87231.52031 64341.2832 53898.28542 70196.45394 50547.67126 109191.3568 63978.34758 70020.00601 99949.09402 97680.02198 105314.6814 77379.03585 110911.6304 128503.8241 58576.49626 77894.25847 78688.95771 101489.3839 80637.25587 53070.11443 89089.54068 89470.89299 78235.99159 76706.44668 82883.22858 52569.27239 78565.17235 62162.81677 61042.31284 69937.29666 51848.63978 62241.17283 73421.07369 120424.1622 69825.28552 68701.62408 53555.83933 66094.29606 121206.9297 63266.9763 52237.84076 54319.37627 65231.04736 53163.92249 66355.10082 108955.9285 73614.98544 60187.23652 52251.34226 68852.21884 77249.54487 68297.28041 73791.53418 48766.52624 53369.80609 89209.76079 53847.22214 88495.02637 64395.26926 66852.79539 91480.46536 98297.73864 71403.21299 91537.48481 88812.91609 65653.78513 93615.75444 52446.07529 95570.25114 64942.93227 60931.12175 56792.66318 61579.50362 58076.98031 61732.68599 68598.71898 46825.39785 52252.28437 94330.50425 50164.22498 57462.09776 90217.8763 64092.03807 53139.85844 48392.48105 51252.00485 83221.27122 51854.71536 45982.92695 41085.94089 62979.7008 54176.01071 65587.28946 52049.98526 50190.54737 61526.10903 40024.21075 46888.79975 52301.41863 76374.48085 89793.65843 74158.57062 35313.74044 39308.2339 oleamide 263375.5343 417616.8535 2436740.994 1676927.866 29442.94805 820373.6566 27365.99409 36062.70578 85104.37745 160902.2401 481043.5768 14775.54198 161880.3585 2306946.773 1563852.697 29650.70666 18272.68307 26528.44725 31013.52165 37062.21066 244647.2354 109306.9216 1709404.442 84309.32734 1212991.672 1075726.108 53927.16144 866561.3533 72926.12879 447894.28 879083.5148 46908.44121 17943.68535 7673.600784 739959.2088 1834011.505 133309.7183 210827.5661 105263.6642 494669.1996 1999442.155 22395.99837 85241.33388 4720262.388 1216652.69 771564.3077 2841668.19 444744.1537 155978.5409 4445469.534 374389.3037 3491865.001 251299.8414 4690351.986 3604247.132 7324687.807 9212494.984 8424269.403 118997.5762 155299.5097 3291360.987 595072.3744 316546.8288 747266.5157 168642.2888 354900.3037 107427.2056 38218.23067 558945.8085 3818366.777 525095.3952 2102610.831 3073518.516 36762.01431 5075791.267 2999069.317 206084.0454 161567.7095 686151.9925 1677553.437 196327.4985 5958862.984 4274884.088 6028472.646 707374.8168 118491.1072 404930.7503 597703.973 805056.7571 2593598.589 7801555.745 6467044.699 679884.4205 96051.26518 3482133.759 1071781.229 86432.59105 132392.4803 2113487.046 39333.93226 816404.7285 3622168.252 851171.0512 5579268.271 245655.9138 78972.30578 258693.4793 5242689.555 2323326.631 508667.4031 61947.9276 81881.58053 278537.7514 32417.79548 2068302.229 5609843.211 8676469.657 6221901.694 2572816.548 101704.2365 558432.5415 671162.3764 130813.3183 5216267.163 3662905.4 49142.65575 2230963.478 84191.47799 46881.66341 608199.457 201067.085 3394930.277 3134557.596 773791.0452 3247763.347 179876.9095 82892.11232 650920.3074 289780.2088 53144.02925 3359903.406 203436.2915 672012.1376 153044.9963 199189.0782 144366.0057 80586.85094 o-phospho-threonine 67015.9146 63219.36364 64166.3211 68640.88158 71589.3461 64173.32708 55875.84681 56349.55892 57713.09384 68398.55845 68108.68652 76041.23262 71210.29729 70102.3366 70105.82929 70632.17877 66544.12869 68565.50885 68808.76035 67074.91747 74080.98622 69027.63353 69029.05358 65777.69583 64799.62538 68492.87643 67624.56128 66992.49447 67857.13561 68737.05772 73159.78417 67904.10604 70882.36625 74093.3751 71564.50474 70550.30722 74952.65301 67410.99383 72499.79795 63655.03066 299079.8704 71231.65479 298984.3811 312576.8556 309641.6146 311478.3446 300158.5833 315984.5319 306826.1455 315419.787 306601.0237 312906.9941 328051.2126 324407.9127 338203.9154 335363.3375 310189.3753 277165.667 295966.2921 310256.1048 323800.0998 298957.0412 301839.0799 315569.902 303663.8636 310944.6783 325165.5377 324662.5436 299842.7018 332951.8462 322466.3762 274977.0079 295137.5854 307135.0236 290051.5017 321814.4748 320077.6575 311927.8681 310501.6343 314642.4357 289610.3391 295177.4868 298273.5228 268390.9261 295212.7068 305064.9939 295769.2833 298863.9836 299550.5975 311711.2521 282498.0809 297397.049 269859.605 290732.8583 278235.622 264449.2647 299200.779 265327.6893 258351.5106 239228.6892 261509.7972 280257.2913 284586.428 303505.2717 290355.6951 255445.2586 289981.8634 287474.026 282991.6729 263537.6967 274426.0596 282504.7673 254485.2717 249324.2347 246654.5087 267412.1973 302439.9772 265752.4939 303595.8376 268255.7458 257419.9149 267310.4153 238808.8607 270628.3988 251759.4098 244925.6397 262831.5018 203671.7426 260642.0727 266568.5013 222703.6351 245393.5367 224476.6499 224929.1913 222046.665 288172.1977 205688.3738 223542.5133 288183.2879 263711.2762 250608.7347 261464.013 272386.0556 244643.3799 251909.8004 201834.857 251840.1834 rac octanoyl carnitine chloride 15707.19615 30898.00128 27821.20721 7189.700234 18470.80692 7696.371636 11110.5249 14491.00951 17974.8688 21555.15324 15561.59154 16775.30762 22486.23001 24811.89177 13816.59257 24013.00229 12290.25609 24989.74428 17306.21654 15611.95776 11605.69903 13396.91123 14362.95029 13854.97251 29388.36979 12659.41701 10184.67943 11428.82693 11958.1158 23933.89658 20982.03365 18074.60976 23502.18509 61083.27798 30932.10544 9054.160147 28271.49069 6242.715861 7374.424085 17205.2811 13932.20238 11517.59107 19076.4194 20913.78272 13029.35285 17799.34303 17914.9443 16198.01136 11011.769 8501.033704 12156.81591 45681.83047 15071.20875 6926.366379 14083.6559 26669.18351 10636.83504 54903.66123 25018.42671 34733.50093 28409.3031 17124.47172 66776.23391 47422.71667 22310.48722 19336.76546 35421.48738 10684.7044 16175.70158 17535.25107 26774.41008 33000.91409 28789.52788 3246.551456 247615.3301 9253.691913 5372.206064 3464.994422 13050.76902 27298.37449 14286.99238 8158.605528 8264.126676 16701.52313 16268.3006 6892.904957 42231.33252 13046.89137 9601.524812 54455.36383 14562.37171 12732.50003 8857.607019 21677.53822 16116.06966 21285.80931 13399.83217 12045.49648 7115.017828 6699.422102 14602.15068 95397.03364 11145.84147 11302.81412 18469.51795 12078.13813 14277.36309 12541.84315 12705.47409 6760.080192 15265.07715 15337.9676 11647.11615 18294.11016 15348.50739 20664.35998 14739.28101 27292.55826 65696.5583 16716.97322 60157.31327 14871.91145 13957.90578 7631.43134 8210.160905 19811.56727 6437.419223 21485.81801 12299.04143 10971.97611 7830.376961 6564.191803 18588.39084 9013.584877 6527.189419 17800.83791 18965.26678 10236.89941 12878.14321 8627.755555 9883.592949 8343.459242 14288.08631 4267.936671 11278.371 12772.11033 25188.55737 threonine 44011.46471 39878.11265 57334.84653 31316.5683 44931.91052 48831.30454 64492.95089 35618.1001 61385.54437 42714.9561 39024.22138 60368.10218 51323.1805 40471.82988 66091.8113 46524.56921 57998.45582 39309.28744 56944.54341 39537.49896 46954.76266 46108.15419 42996.64707 49055.81112 42175.38957 44501.21971 61663.63606 35825.06245 49366.67308 44441.85341 39451.17728 35548.56377 28937.40539 37730.42697 43521.28379 31696.1938 36634.50078 105108.8436 29561.18994 38940.63006 123058.626 54906.06239 141151.1603 187067.2186 154160.445 123426.9881 143589.0103 114565.0224 236121.6673 119967.1007 129522.3744 233971.3284 171151.5307 202117.6834 157557.1251 207210.8282 247315.7924 132936.5062 129893.1317 146222.7693 191547.7668 154342.8908 120261.4291 193747.9591 161760.1796 160669.8323 170225.5 169081.7256 119227.4941 165283.3935 155624.3592 142122.7505 126849.1784 109615.1935 135136.0779 165571.5496 227503.072 124557.7151 161962.1907 104866.3145 149955.2471 226643.7936 131248.7051 94909.56248 137884.1982 155913.1106 179915.9105 132550.7198 149484.5802 161919.4209 114649.4729 118278.2033 172661.9819 155671.5277 193691.1361 153567.113 112767.8379 123380.2928 190698.1416 99848.78507 187428.4384 135754.8426 122694.9674 165354.9904 181056.6213 128425.4351 148085.2407 183217.0276 132417.6055 207849.804 126173.1856 173968.3393 129271.5535 126671.1805 122150.6195 136722.0683 119903.4837 124984.6614 147792.1375 116192.1487 131714.0581 197106.6918 118233.7806 165012.8705 222965.8081 149262.7204 128233.5876 131495.2457 102856.2752 155696.572 109511.3117 91684.25691 110244.0208 178499.6567 151388.497 142062.0999 102291.9469 104204.3484 122604.6111 95056.28512 121423.6433 127716.7838 193599.3978 189320.0592 198746.5881 90436.91117 113193.2247 tryptophan 28344.75511 28122.87338 29004.46802 24380.44349 28844.14452 32907.4431 33880.10908 24604.5596 28123.755 23067.02272 30481.32289 31788.18853 28913.3082 26087.95545 48594.32931 31719.0868 26059.03457 21060.03973 28594.24396 25870.84199 21694.82134 22663.3569 26150.99118 24970.40973 22073.03074 24323.19323 25625.66713 22194.2294 32996.83417 19721.58272 30680.5143 24126.93835 24037.41611 18384.69301 19653.77123 21587.51739 20073.39971 50887.26187 19369.10708 19495.67891 49405.97695 23019.83199 38044.41883 48929.49441 44649.33128 39505.33208 44332.51149 35253.31687 43577.38136 44825.93507 49329.50911 47179.968 63044.29236 57350.19139 48593.71742 65851.79991 62666.88793 39837.89188 45371.80725 48873.41667 55866.45859 54326.90389 41192.48156 58188.33968 59161.61147 51332.40372 41903.41631 61908.87276 43689.02339 49674.84513 43957.53543 39594.36781 80687.03227 30172.36801 45877.64515 46930.828 56340.36768 39783.7742 45194.93999 36451.37374 47148.06802 43972.43179 44183.16742 30366.29902 41545.14968 41605.06307 44676.68293 40862.84964 52828.47719 50202.98758 37892.66074 38697.63228 49264.7454 44073.04949 44810.16623 40109.50318 36450.39767 40199.31573 58332.96093 43600.58899 51083.5608 43420.25525 45281.2853 48979.7195 71322.43934 44598.38407 41379.22129 48422.63488 41410.50625 51713.54228 32733.14201 53414.07542 42740.6231 42405.99492 36459.18036 44342.07843 43004.70717 41022.56787 40269.10933 33823.05664 30809.05065 44129.63037 32291.03937 29293.39466 40364.19554 40098.60265 34613.94612 32675.47727 38062.17872 44032.10832 34280.85587 29064.75834 31143.91154 44019.35857 38875.67809 45021.75817 30893.93365 33152.75035 32388.033 31361.90227 31961.6804 30107.93813 43304.33665 41144.31842 40838.17033 28777.04514 26273.00802 tyrosine 6980.527794 6125.606941 9341.341682 5752.747769 6624.639266 7656.159406 6734.257625 5980.812518 7574.930755 6772.016915 6874.351026 8651.628192 7725.674738 6580.198314 11648.72781 8414.73729 7818.526419 7414.679649 7321.713541 7073.205046 6900.450077 6590.066734 7267.252771 5543.232039 5946.867589 6258.678015 9297.789627 5651.42096 7744.254324 5254.158313 6794.258547 7755.159744 6861.316743 5383.382177 7091.20312 4657.873349 5278.10981 18819.56758 4184.356343 5405.68962 8340.796897 5385.927963 8949.3683 12410.80904 10613.20526 7570.245159 8105.252735 8630.84638 14462.2397 8448.775514 9890.824876 11777.98415 13130.31933 13838.40136 10337.16803 15870.85251 14157.66577 8949.007494 9500.88934 9414.966063 14698.10135 11849.65967 9710.274225 16308.64808 11728.25057 13867.14052 13721.07194 10549.40347 8450.598454 10426.05864 9056.64281 9631.405941 10499.87224 5927.487963 10893.23792 8206.746142 13053.61392 9999.862902 10294.3528 8741.091717 10316.31861 13888.96608 10085.22253 6425.608324 9422.121019 9340.759373 8515.071623 11452.13879 13543.06465 10985.26723 8065.842769 7967.577855 10422.48018 11004.19546 10339.41913 11713.30087 10681.29528 9837.242964 11158.81494 6408.841867 12542.86896 8868.290203 8650.1301 12600.93947 13712.14048 9365.359247 11524.57463 11401.98053 8713.902106 11344.57164 7015.84757 12744.31793 10171.99193 8909.643813 8306.090804 9147.504523 9737.387717 7985.696961 11419.56492 8841.156893 8390.653599 11492.98338 5919.486485 6425.353514 11076.33746 10011.81395 7027.349828 8467.036596 9828.516217 9397.447955 6709.551568 7435.930477 7637.931801 9829.419938 8347.451748 7183.680334 9154.192823 7784.76382 8662.912869 6092.129934 8205.76353 8906.524024 11634.05009 10603.38491 9944.437887 6912.845715 5885.949627 xanthine 514.5448687 997.9705143 1322.335972 283.1561978 946.9273996 420.2184567 742.4981722 1105.233857 1656.595006 528.6428354 912.6941954 1491.706276 732.3483567 1054.48685 2502.008443 2043.217236 634.0946753 4205.462183 1086.666811 614.8610821 539.0252671 2138.582284 1156.601228 491.4514192 1027.334596 1003.86844 1284.582824 523.8969437 765.0007238 1185.116521 566.9839928 1077.820761 801.1135655 234.9959514 646.4853439 685.6115022 1856.61128 762.0838189 676.5461295 645.5403892 293.9833553 420.0914348 465.9470103 414.2125763 292.3652909 207.1526262 367.8296004 710.279298 430.6467547 208.9251494 130.7693973 615.7843268 581.4660342 490.1129123 483.880401 573.2215267 379.0378272 265.8424466 414.007194 250.5933053 263.3450651 515.271092 604.7140753 474.1460607 475.5641829 459.4901751 545.4765617 148.0216741 314.4508292 196.0333007 723.2724996 354.0087299 686.2022558 121.9971991 338.6612918 229.7373859 286.8048234 174.3476398 352.685211 370.4159465 241.7579713 356.6357626 264.654239 138.5338013 498.4695379 269.8484716 536.2811329 368.1073962 417.4522466 302.7456138 277.1494327 219.3496428 374.7754722 407.1313517 443.9294959 326.4232663 308.1440367 567.671151 338.7862163 177.3055197 335.9951482 242.8410703 269.1828754 192.9513585 537.1373459 190.7768292 295.6845087 307.4641269 156.5067979 180.1690181 245.5522306 261.2404656 281.3416742 397.13909 372.8515878 273.1589284 867.6629797 414.750844 331.8515047 421.3657018 323.1014276 505.3735354 203.7760045 334.8571452 368.6429058 407.9065537 227.1496349 243.0999631 308.9237217 307.5431494 171.1738105 123.7196683 412.3916614 393.5907567 171.8135333 369.8229893 317.0073411 337.8262209 109.7810042 157.4232513 266.8041324 255.4458094 273.50298 274.9487209 965.6159116 195.1314691 254.7690833 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID [7-CD3]-1,3,7-trimethyluric acid 4.3017 211.0819318 2-aminobutyric acid 0.613916667 104.0774044 3,4-dehydro-proline 0.65585 114.0484346 3-indolelactic acid 2.344816667 206.0744244 3-methyladipic acid 4.6289 161.0837567 4-aminophenol 0.60345 110.0529826 4-hydroxy-proline 0.6873 144.072343 5-aminolevulinic acid 0.666333333 132.0608663 acetyl-carnitine 1.146833333 204.1158451 adenine 0.735683333 136.0603268 carnosine 3.1838 227.1224438 creatine 0.735683333 132.0716113 farnesol 10.02588333 223.2015729 glucose-6-phosphate 3.2362 261.0292365 glycohyocholic acid 3.062116667 466.3077585 guanidineacetic acid 0.735683333 118.0564833 hexanoylcarnitine 2.344816667 260.1873412 hippurate 1.906316667 202.0376367 homocysteine 0.735683333 136.0458015 indole-3-butyric acid 2.787283333 190.0786809 kynurenine 1.474183333 209.0853745 methionine sulfoxide 0.735683333 166.0568004 N-alpha-acetyl-ornithine 0.60345 175.1082273 norleucine 1.289566667 132.0859446 oleamide 7.28225 282.2849953 o-phospho-threonine 1.906316667 200.0402411 rac octanoyl carnitine chloride 2.908983333 288.2240233 threonine 0.74615 120.0636241 tryptophan 1.7217 205.0907354 tyrosine 1.19925 182.0715117 xanthine 1.2581 153.0368484 METABOLITES_END #END