#METABOLOMICS WORKBENCH arthurzhu233_20230210_050308 DATATRACK_ID:3732 STUDY_ID:ST002475 ANALYSIS_ID:AN004042 PROJECT_ID:PR001598 VERSION 1 CREATED_ON February 13, 2023, 8:02 am #PROJECT PR:PROJECT_TITLE Psychobiotic Lactobacillus plantarum JYLP-326 relieves anxiety, depression, and PR:PROJECT_TITLE insomnia symptoms in test anxious college students via modulating the gut PR:PROJECT_TITLE microbiota and its metabolism PR:PROJECT_SUMMARY Test anxiety frequently occurs in college students and harms their physical and PR:PROJECT_SUMMARY psychological health, but suitable interventions or therapeutical strategies are PR:PROJECT_SUMMARY still missing. The present study aims to evaluate the potential effects of PR:PROJECT_SUMMARY Lactobacillus plantarum JYLP-326 on test anxious college students. Sixty anxious PR:PROJECT_SUMMARY students were enrolled and randomly allocated to the placebo group and the PR:PROJECT_SUMMARY probiotic group, which were instructed to take placebo and JYLP-326 products PR:PROJECT_SUMMARY twice per day for three weeks, respectively. Thirty unanxious students with no PR:PROJECT_SUMMARY treatments were assigned to a regular control group. The anxiety, depression, PR:PROJECT_SUMMARY and insomnia questionnaires were used to measure students’ mental states at PR:PROJECT_SUMMARY the baseline and the end of this study. 16S rRNA sequencing and untargeted PR:PROJECT_SUMMARY metabolomics were performed to analyze the changes in the gut microbiota and PR:PROJECT_SUMMARY fecal metabolism. The questionnaire results suggested that JYLP-326 PR:PROJECT_SUMMARY administration could relieve the symptoms of anxiety, depression, and insomnia PR:PROJECT_SUMMARY in test anxious students. The gut microbiomes of the placebo group showed a PR:PROJECT_SUMMARY significantly greater α diversity index than the control group (p < 0.05). An PR:PROJECT_SUMMARY increased abundance of Bacteroides and Roseburia was observed in the placebo PR:PROJECT_SUMMARY group, and the relative abundance of Prevotella and Bifidobacterium decreased. PR:PROJECT_SUMMARY Whereas JYLP-326 administration could partly restore the disturbed gut PR:PROJECT_SUMMARY microbiota. Additionally, test anxiety was correlation with disordered fecal PR:PROJECT_SUMMARY metabolomics such as a higher Ethyl sulfate and a lower Cyclohexylamine, which PR:PROJECT_SUMMARY could be reversed after taking JYLP-326. Furthermore, the changed microbiota and PR:PROJECT_SUMMARY fecal metabolites were significantly associated with anxiety-related symptoms. PR:PROJECT_SUMMARY These results indicated that the intervention of L. plantarum JYLP-326 could be PR:PROJECT_SUMMARY an effective strategy to alleviate anxiety, depression and insomnia in test PR:PROJECT_SUMMARY anxious college students. PR:INSTITUTE Nanchang university PR:LAST_NAME Ruizhe PR:FIRST_NAME Zhu PR:ADDRESS National Engineering Research Center for Bioengineering Drugs and the PR:ADDRESS Technologies, Institute of Translational Medicine, Nanchang University, PR:ADDRESS Nanchang, China PR:EMAIL arthurzhu233@outlook.com PR:PHONE 18779116254 #STUDY ST:STUDY_TITLE Psychobiotic Lactobacillus plantarum JYLP-326 relieves anxiety, depression, and ST:STUDY_TITLE insomnia symptoms in test anxious college students via modulating the gut ST:STUDY_TITLE microbiota and its metabolism ST:STUDY_SUMMARY Test anxiety frequently occurs in college students and harms their physical and ST:STUDY_SUMMARY psychological health, but suitable interventions or therapeutical strategies are ST:STUDY_SUMMARY still missing. The present study aims to evaluate the potential effects of ST:STUDY_SUMMARY Lactobacillus plantarum JYLP-326 on test anxious college students. Sixty anxious ST:STUDY_SUMMARY students were enrolled and randomly allocated to the placebo group and the ST:STUDY_SUMMARY probiotic group, which were instructed to take placebo and JYLP-326 products ST:STUDY_SUMMARY twice per day for three weeks, respectively. Thirty unanxious students with no ST:STUDY_SUMMARY treatments were assigned to a regular control group. The anxiety, depression, ST:STUDY_SUMMARY and insomnia questionnaires were used to measure students’ mental states at ST:STUDY_SUMMARY the baseline and the end of this study. 16S rRNA sequencing and untargeted ST:STUDY_SUMMARY metabolomics were performed to analyze the changes in the gut microbiota and ST:STUDY_SUMMARY fecal metabolism. The questionnaire results suggested that JYLP-326 ST:STUDY_SUMMARY administration could relieve the symptoms of anxiety, depression, and insomnia ST:STUDY_SUMMARY in test anxious students. The gut microbiomes of the placebo group showed a ST:STUDY_SUMMARY significantly greater α diversity index than the control group (p < 0.05). An ST:STUDY_SUMMARY increased abundance of Bacteroides and Roseburia was observed in the placebo ST:STUDY_SUMMARY group, and the relative abundance of Prevotella and Bifidobacterium decreased. ST:STUDY_SUMMARY Whereas JYLP-326 administration could partly restore the disturbed gut ST:STUDY_SUMMARY microbiota. Additionally, test anxiety was correlation with disordered fecal ST:STUDY_SUMMARY metabolomics such as a higher Ethyl sulfate and a lower Cyclohexylamine, which ST:STUDY_SUMMARY could be reversed after taking JYLP-326. Furthermore, the changed microbiota and ST:STUDY_SUMMARY fecal metabolites were significantly associated with anxiety-related symptoms. ST:STUDY_SUMMARY These results indicated that the intervention of L. plantarum JYLP-326 could be ST:STUDY_SUMMARY an effective strategy to alleviate anxiety, depression and insomnia in test ST:STUDY_SUMMARY anxious college students. ST:INSTITUTE Nanchang university ST:LAST_NAME Ruizhe ST:FIRST_NAME Zhu ST:ADDRESS National Engineering Research Center for Bioengineering Drugs and the ST:ADDRESS Technologies, Institute of Translational Medicine, Nanchang University, ST:ADDRESS Nanchang, China ST:EMAIL arthurzhu233@outlook.com ST:PHONE 18779116254 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - NHP1 treatment:Control RAW_FILE_NAME=HP1_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP2 treatment:Control RAW_FILE_NAME=HP2_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP3 treatment:Control RAW_FILE_NAME=HP3_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP4 treatment:Control RAW_FILE_NAME=HP4_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP5 treatment:Control RAW_FILE_NAME=HP5_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP6 treatment:Control RAW_FILE_NAME=HP6_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP7 treatment:Control RAW_FILE_NAME=HP7_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP8 treatment:Control RAW_FILE_NAME=HP8_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP9 treatment:Control RAW_FILE_NAME=HP9_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP10 treatment:Control RAW_FILE_NAME=HP10_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP11 treatment:Control RAW_FILE_NAME=HP11_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP12 treatment:Control RAW_FILE_NAME=HP12_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP13 treatment:Control RAW_FILE_NAME=HP13_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP14 treatment:Control RAW_FILE_NAME=HP14_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP15 treatment:Control RAW_FILE_NAME=HP15_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP16 treatment:Control RAW_FILE_NAME=HP16_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP17 treatment:Control RAW_FILE_NAME=HP17_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP18 treatment:Control RAW_FILE_NAME=HP18_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP19 treatment:Control RAW_FILE_NAME=HP19_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP20 treatment:Control RAW_FILE_NAME=HP20_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP21 treatment:Control RAW_FILE_NAME=HP21_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP22 treatment:Control RAW_FILE_NAME=HP22_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP23 treatment:Control RAW_FILE_NAME=HP23_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP24 treatment:Control RAW_FILE_NAME=HP24_NEG.wiff SUBJECT_SAMPLE_FACTORS - NHP25 treatment:Control RAW_FILE_NAME=HP25_NEG.wiff SUBJECT_SAMPLE_FACTORS - NP1 treatment:Placebo RAW_FILE_NAME=P1_NEG.wiff SUBJECT_SAMPLE_FACTORS - NP2 treatment:Placebo RAW_FILE_NAME=P2_NEG.wiff SUBJECT_SAMPLE_FACTORS - NP3 treatment:Placebo RAW_FILE_NAME=P3_NEG.wiff SUBJECT_SAMPLE_FACTORS - NP4 treatment:Placebo RAW_FILE_NAME=P4_NEG.wiff SUBJECT_SAMPLE_FACTORS - NP5 treatment:Placebo RAW_FILE_NAME=P5_NEG.wiff SUBJECT_SAMPLE_FACTORS - NP6 treatment:Placebo RAW_FILE_NAME=P6_NEG.wiff SUBJECT_SAMPLE_FACTORS - NP7 treatment:Placebo RAW_FILE_NAME=P7_NEG.wiff SUBJECT_SAMPLE_FACTORS - NP8 treatment:Placebo RAW_FILE_NAME=P8_NEG.wiff SUBJECT_SAMPLE_FACTORS - NP9 treatment:Placebo RAW_FILE_NAME=P9_NEG.wiff SUBJECT_SAMPLE_FACTORS - NP10 treatment:Placebo RAW_FILE_NAME=P10_NEG.wiff SUBJECT_SAMPLE_FACTORS - NP11 treatment:Placebo RAW_FILE_NAME=P11_NEG.wiff SUBJECT_SAMPLE_FACTORS - NP12 treatment:Placebo RAW_FILE_NAME=P12_NEG.wiff SUBJECT_SAMPLE_FACTORS - NP13 treatment:Placebo RAW_FILE_NAME=P13_NEG.wiff SUBJECT_SAMPLE_FACTORS - NP14 treatment:Placebo RAW_FILE_NAME=P14_NEG.wiff SUBJECT_SAMPLE_FACTORS - NP15 treatment:Placebo RAW_FILE_NAME=P15_NEG.wiff SUBJECT_SAMPLE_FACTORS - NP16 treatment:Placebo RAW_FILE_NAME=P16_NEG.wiff SUBJECT_SAMPLE_FACTORS - NP17 treatment:Placebo RAW_FILE_NAME=P17_NEG.wiff SUBJECT_SAMPLE_FACTORS - NP18 treatment:Placebo RAW_FILE_NAME=P18_NEG.wiff SUBJECT_SAMPLE_FACTORS - NPB1 treatment:Treatment RAW_FILE_NAME=PB1_NEG.wiff SUBJECT_SAMPLE_FACTORS - NPB2 treatment:Treatment RAW_FILE_NAME=PB2_NEG.wiff SUBJECT_SAMPLE_FACTORS - NPB3 treatment:Treatment RAW_FILE_NAME=PB3_NEG.wiff SUBJECT_SAMPLE_FACTORS - NPB4 treatment:Treatment RAW_FILE_NAME=PB4_NEG.wiff SUBJECT_SAMPLE_FACTORS - NPB5 treatment:Treatment RAW_FILE_NAME=PB5_NEG.wiff SUBJECT_SAMPLE_FACTORS - NPB6 treatment:Treatment RAW_FILE_NAME=PB6_NEG.wiff SUBJECT_SAMPLE_FACTORS - NPB7 treatment:Treatment RAW_FILE_NAME=PB7_NEG.wiff SUBJECT_SAMPLE_FACTORS - NPB8 treatment:Treatment RAW_FILE_NAME=PB8_NEG.wiff SUBJECT_SAMPLE_FACTORS - NPB9 treatment:Treatment RAW_FILE_NAME=PB9_NEG.wiff SUBJECT_SAMPLE_FACTORS - NPB10 treatment:Treatment RAW_FILE_NAME=PB10_NEG.wiff SUBJECT_SAMPLE_FACTORS - NPB11 treatment:Treatment RAW_FILE_NAME=PB11_NEG.wiff SUBJECT_SAMPLE_FACTORS - NPB12 treatment:Treatment RAW_FILE_NAME=PB12_NEG.wiff SUBJECT_SAMPLE_FACTORS - NPB13 treatment:Treatment RAW_FILE_NAME=PB13_NEG.wiff SUBJECT_SAMPLE_FACTORS - NPB14 treatment:Treatment RAW_FILE_NAME=PB14_NEG.wiff SUBJECT_SAMPLE_FACTORS - NPB15 treatment:Treatment RAW_FILE_NAME=PB15_NEG.wiff SUBJECT_SAMPLE_FACTORS - NPB16 treatment:Treatment RAW_FILE_NAME=PB16_NEG.wiff SUBJECT_SAMPLE_FACTORS - NPB17 treatment:Treatment RAW_FILE_NAME=PB17_NEG.wiff SUBJECT_SAMPLE_FACTORS - NPB18 treatment:Treatment RAW_FILE_NAME=PB18_NEG.wiff SUBJECT_SAMPLE_FACTORS - NPB19 treatment:Treatment RAW_FILE_NAME=PB19_NEG.wiff SUBJECT_SAMPLE_FACTORS - PHP1 treatment:Control RAW_FILE_NAME=HP1_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP2 treatment:Control RAW_FILE_NAME=HP2_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP3 treatment:Control RAW_FILE_NAME=HP3_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP4 treatment:Control RAW_FILE_NAME=HP4_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP5 treatment:Control RAW_FILE_NAME=HP5_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP6 treatment:Control RAW_FILE_NAME=HP6_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP7 treatment:Control RAW_FILE_NAME=HP7_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP8 treatment:Control RAW_FILE_NAME=HP8_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP9 treatment:Control RAW_FILE_NAME=HP9_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP10 treatment:Control RAW_FILE_NAME=HP10_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP11 treatment:Control RAW_FILE_NAME=HP11_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP12 treatment:Control RAW_FILE_NAME=HP12_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP13 treatment:Control RAW_FILE_NAME=HP13_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP14 treatment:Control RAW_FILE_NAME=HP14_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP15 treatment:Control RAW_FILE_NAME=HP15_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP16 treatment:Control RAW_FILE_NAME=HP16_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP17 treatment:Control RAW_FILE_NAME=HP17_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP18 treatment:Control RAW_FILE_NAME=HP18_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP19 treatment:Control RAW_FILE_NAME=HP19_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP20 treatment:Control RAW_FILE_NAME=HP20_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP21 treatment:Control RAW_FILE_NAME=HP21_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP22 treatment:Control RAW_FILE_NAME=HP22_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP23 treatment:Control RAW_FILE_NAME=HP23_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP24 treatment:Control RAW_FILE_NAME=HP24_POS.wiff SUBJECT_SAMPLE_FACTORS - PHP25 treatment:Control RAW_FILE_NAME=HP25_POS.wiff SUBJECT_SAMPLE_FACTORS - PP1 treatment:Placebo RAW_FILE_NAME=P1_POS.wiff SUBJECT_SAMPLE_FACTORS - PP2 treatment:Placebo RAW_FILE_NAME=P2_POS.wiff SUBJECT_SAMPLE_FACTORS - PP3 treatment:Placebo RAW_FILE_NAME=P3_POS.wiff SUBJECT_SAMPLE_FACTORS - PP4 treatment:Placebo RAW_FILE_NAME=P4_POS.wiff SUBJECT_SAMPLE_FACTORS - PP5 treatment:Placebo RAW_FILE_NAME=P5_POS.wiff SUBJECT_SAMPLE_FACTORS - PP6 treatment:Placebo RAW_FILE_NAME=P6_POS.wiff SUBJECT_SAMPLE_FACTORS - PP7 treatment:Placebo RAW_FILE_NAME=P7_POS.wiff SUBJECT_SAMPLE_FACTORS - PP8 treatment:Placebo RAW_FILE_NAME=P8_POS.wiff SUBJECT_SAMPLE_FACTORS - PP9 treatment:Placebo RAW_FILE_NAME=P9_POS.wiff SUBJECT_SAMPLE_FACTORS - PP10 treatment:Placebo RAW_FILE_NAME=P10_POS.wiff SUBJECT_SAMPLE_FACTORS - PP11 treatment:Placebo RAW_FILE_NAME=P11_POS.wiff SUBJECT_SAMPLE_FACTORS - PP12 treatment:Placebo RAW_FILE_NAME=P12_POS.wiff SUBJECT_SAMPLE_FACTORS - PP13 treatment:Placebo RAW_FILE_NAME=P13_POS.wiff SUBJECT_SAMPLE_FACTORS - PP14 treatment:Placebo RAW_FILE_NAME=P14_POS.wiff SUBJECT_SAMPLE_FACTORS - PP15 treatment:Placebo RAW_FILE_NAME=P15_POS.wiff SUBJECT_SAMPLE_FACTORS - PP16 treatment:Placebo RAW_FILE_NAME=P16_POS.wiff SUBJECT_SAMPLE_FACTORS - PP17 treatment:Placebo RAW_FILE_NAME=P17_POS.wiff SUBJECT_SAMPLE_FACTORS - PP18 treatment:Placebo RAW_FILE_NAME=P18_POS.wiff SUBJECT_SAMPLE_FACTORS - PPB1 treatment:Treatment RAW_FILE_NAME=PB1_POS.wiff SUBJECT_SAMPLE_FACTORS - PPB2 treatment:Treatment RAW_FILE_NAME=PB2_POS.wiff SUBJECT_SAMPLE_FACTORS - PPB3 treatment:Treatment RAW_FILE_NAME=PB3_POS.wiff SUBJECT_SAMPLE_FACTORS - PPB4 treatment:Treatment RAW_FILE_NAME=PB4_POS.wiff SUBJECT_SAMPLE_FACTORS - PPB5 treatment:Treatment RAW_FILE_NAME=PB5_POS.wiff SUBJECT_SAMPLE_FACTORS - PPB6 treatment:Treatment RAW_FILE_NAME=PB6_POS.wiff SUBJECT_SAMPLE_FACTORS - PPB7 treatment:Treatment RAW_FILE_NAME=PB7_POS.wiff SUBJECT_SAMPLE_FACTORS - PPB8 treatment:Treatment RAW_FILE_NAME=PB8_POS.wiff SUBJECT_SAMPLE_FACTORS - PPB9 treatment:Treatment RAW_FILE_NAME=PB9_POS.wiff SUBJECT_SAMPLE_FACTORS - PPB10 treatment:Treatment RAW_FILE_NAME=PB10_POS.wiff SUBJECT_SAMPLE_FACTORS - PPB11 treatment:Treatment RAW_FILE_NAME=PB11_POS.wiff SUBJECT_SAMPLE_FACTORS - PPB12 treatment:Treatment RAW_FILE_NAME=PB12_POS.wiff SUBJECT_SAMPLE_FACTORS - PPB13 treatment:Treatment RAW_FILE_NAME=PB13_POS.wiff SUBJECT_SAMPLE_FACTORS - PPB14 treatment:Treatment RAW_FILE_NAME=PB14_POS.wiff SUBJECT_SAMPLE_FACTORS - PPB15 treatment:Treatment RAW_FILE_NAME=PB15_POS.wiff SUBJECT_SAMPLE_FACTORS - PPB16 treatment:Treatment RAW_FILE_NAME=PB16_POS.wiff SUBJECT_SAMPLE_FACTORS - PPB17 treatment:Treatment RAW_FILE_NAME=PB17_POS.wiff SUBJECT_SAMPLE_FACTORS - PPB18 treatment:Treatment RAW_FILE_NAME=PB18_POS.wiff SUBJECT_SAMPLE_FACTORS - PPB19 treatment:Treatment RAW_FILE_NAME=PB19_POS.wiff #COLLECTION CO:COLLECTION_SUMMARY The first pooped fecal sample in a day were collected during 3 days after the CO:COLLECTION_SUMMARY indicated time points and stored at -80 oC immediately for further research CO:SAMPLE_TYPE Feces #TREATMENT TR:TREATMENT_SUMMARY Out of those 60 students with anxiety and depression facing UNGEE, 30 were TR:TREATMENT_SUMMARY selected randomly as the PB group to receive the probiotic product; another 30 TR:TREATMENT_SUMMARY received placebo product were regarded as the P group. The 30 un-anxious TR:TREATMENT_SUMMARY students were assigned as the healthy control group (HP group). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Stool weighing 100 mg was added with 400 ml extract of SP:SAMPLEPREP_SUMMARY methanol-acetonitrile-water (2:2:1, vol/vol/vol), vortexed and centrifuged at SP:SAMPLEPREP_SUMMARY 14,000 g for 20min, and the supernatant was collected for further measurement. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent 1290 Infinity CH:COLUMN_NAME Waters ACQUITY UPLC HSS T3 (150 x 2.1mm,1.7um) CH:SOLVENT_A 100% water; 25 mM ammonium acetate; 25 mM ammonia CH:SOLVENT_B 100% acetonitrile CH:FLOW_GRADIENT The gradient elution program was as follows: 0 --- 0.5 min, 95% B; 0.5 --- 7 CH:FLOW_GRADIENT min, B varied linearly from 95% to 65 %; 7 --- 8 min, B varied linearly from 65% CH:FLOW_GRADIENT to 40%; 8---9 min, B was maintained at 40%; 9---9.1 min, B varied linearly from CH:FLOW_GRADIENT 40% to 95%; 9.1--12 min, B maintained at 95%. CH:FLOW_RATE 0.5 mL/min CH:COLUMN_TEMPERATURE 25 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 6600 TripleTOF MS:INSTRUMENT_TYPE Triple TOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Ion Source Gas1（Gas1）：60，Ion Source Gas2（Gas2）：60，Curtain gas MS:MS_COMMENTS （CUR）：30，source temperature：600℃，IonSapary Voltage Floating MS:MS_COMMENTS （ISVF） The raw data in Wiff format was converted to .mzXML format by MS:MS_COMMENTS ProteoWizard and then converted to .mzXML format using XCMS software. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Original peak intensity values MS_METABOLITE_DATA_START Samples PHP1 PHP2 PHP3 PHP4 PHP5 PHP6 PHP7 PHP8 PHP9 PHP10 PHP11 PHP12 PHP13 PHP14 PHP15 PHP16 PHP17 PHP18 PHP19 PHP20 PHP21 PHP22 PHP23 PHP24 PHP25 PP1 PP2 PP3 PP4 PP5 PP6 PP7 PP8 PP9 PP10 PP11 PP12 PP13 PP14 PP15 PP16 PP17 PP18 PPB1 PPB2 PPB3 PPB4 PPB5 PPB6 PPB7 PPB8 PPB9 PPB10 PPB11 PPB12 PPB13 PPB14 PPB15 PPB16 PPB17 PPB18 PPB19 Factors treatment:Control treatment:Control treatment:Control treatment:Control treatment:Control treatment:Control treatment:Control treatment:Control treatment:Control treatment:Control treatment:Control treatment:Control treatment:Control treatment:Control treatment:Control treatment:Control treatment:Control treatment:Control treatment:Control treatment:Control treatment:Control treatment:Control treatment:Control treatment:Control treatment:Control treatment:Placebo treatment:Placebo treatment:Placebo treatment:Placebo treatment:Placebo treatment:Placebo treatment:Placebo treatment:Placebo treatment:Placebo treatment:Placebo treatment:Placebo treatment:Placebo treatment:Placebo treatment:Placebo treatment:Placebo treatment:Placebo treatment:Placebo treatment:Placebo treatment:Treatment treatment:Treatment treatment:Treatment treatment:Treatment treatment:Treatment treatment:Treatment treatment:Treatment treatment:Treatment treatment:Treatment treatment:Treatment treatment:Treatment treatment:Treatment treatment:Treatment treatment:Treatment treatment:Treatment treatment:Treatment treatment:Treatment treatment:Treatment treatment:Treatment C17-sphinganine 446487.4955 507642.5564 466027.5989 659063.0832 525240.02 570990.1712 349516.0218 526590.1877 584150.1943 397401.6037 695829.2591 520421.4269 326328.0793 438569.7893 433424.2745 383997.0899 315652.2817 585368.0387 430708.2121 492759.5284 584490.2218 887990.9938 683718.6033 688577.056 550233.308 304429.6563 260748.9548 336968.9883 235826.9804 474562.0004 210349.953 297416.9728 136395.4139 558439.0704 674219.7963 335264.9641 384713.3892 539354.5062 395548.6255 408373.8633 325210.5619 328631.716 215051.2267 292132.4463 496554.062 427934.3034 182345.4059 477531.0499 710339.3595 247422.7141 237550.618 110881.5663 304326.3465 171233.3211 190994.5961 228426.8174 214698.003 371129.8231 1098181.327 338396.7062 439116.1653 439528.1391 Methyl (1-(cyclohexylmethyl)-1h-indole-3-carbonyl)-l-valinate 6348.698847 4809.357135 52833.11526 6208.1826 9823.019129 45331.397 121078.0875 1765250.825 232124.8457 165759.2164 103197.6207 114189.0987 723235.0015 87231.07252 17832.39935 71436.18834 9252.364794 489099.0706 436888.76 15267.81726 4212.212769 1866.347771 1528.368256 32974.56968 6115.006462 4531953.853 139830.3102 3365705.136 65798.39265 68728.43434 1467503.628 1514325.89 5538528.508 683755.4013 356251.1442 1318592.765 322212.427 542375.5506 686659.2231 3725150.755 398898.3446 54174.70441 3240701.683 160639.7005 148942.4825 307896.3463 4031312.215 12156.29271 372712.2756 13521.74387 7295.75848 6114.658672 1365337.34 8872584.741 4155805.274 2700838.804 3615964.978 10913.95699 15595.62338 10065.20002 1707534.375 83694.85989 Betaine 4112263.761 2893881.085 70290377.24 29622.10097 1162730.222 227873.2785 237254.6639 55320589.99 46144422.33 7883374.707 59507419.52 31108711.85 37476275.3 4789824.223 1862239.68 5279873.848 31917985.09 8990518.833 14666516.53 2268260.932 92788.07263 60155.06394 42415.40084 1402918.252 20070945.31 46659021.83 80141079.58 101842605.2 61458484.24 15184344.84 55048309.93 32265874.83 75905986.23 7451072.304 52145567.44 11534320.33 9397334.413 87177990.26 23522645.43 60449737.7 78831696.87 3446771.729 83500114.76 6907267.895 1087365.171 1962298.217 64311714.97 3248315.611 14196892.62 22310493.57 611529.1572 23683699.81 28672790.63 56716100.79 47092445.4 25578631.78 28926916.82 572078.2127 94820.03596 656877.2413 4469848.856 28359515.31 Ethyl 3-hydroxybutyrate 9577.842141 51268.79034 1161124.311 42814.44015 940647.2104 510557.0773 513573.2635 1547802.479 1216324.888 1511173.665 837258.5247 1054868.044 571386.4485 701636.418 89526.93761 525444.5841 23754.9004 529465.3669 587917.0567 76590.11769 26779.90467 44717.09691 58418.42053 100907.088 63625.76985 3216307.038 954427.9369 3011340.954 330796.0067 120784.7975 1493366.78 1651922.628 3177458.354 441205.1162 621844.0707 1277225.624 603656.8555 635119.4879 848214.8404 2914222.597 538211.2332 594864.2148 3087966.727 1121607.557 224650.5621 589065.7148 2933334.95 17504.36551 595198.8247 32531.70684 30612.26686 35817.33497 1338631.485 5038620.029 3876283.224 1770878.333 2858830.321 32898.16751 313302.9323 24219.70246 1541647.995 646197.8472 Tetraethylene glycol 19152.07825 24296.3754 1754922.008 80405.07486 1491746.821 792377.7083 765587.0058 2505767.095 1785747.298 2876403.282 1388448.836 1409062.921 1212770.562 1197069.584 191273.7631 493290.79 49730.5092 878280.6422 1060952.045 58709.55006 44861.87658 59312.6148 40742.75726 55952.88577 44309.8366 4696099.157 1528642.875 4737291.487 673345.9299 257698.7541 2430656.519 2618661.399 5256363.954 172515.4561 803762.0222 2120372.305 1216258.611 1024551.284 1382202.365 4322775.709 838397.7228 1235945.278 3987010.394 1773047.506 424186.7856 478264.8834 4636466.63 56744.05872 762875.6695 104242.0852 35294.04615 18041.94129 2075591.274 7408380.523 6093049.698 3202701.101 4177650.4 26393.21546 109795.1871 48305.92964 2389752.346 1129596.135 N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentyl-1h-indole-3-carboxamide 63576.30967 146959.5321 9532819.489 72822.64944 5642765.822 2535794.441 2960746.28 15052676.54 10601709.42 14715349.97 6566913.523 8813020.771 6338909.862 5445838.669 939850.7265 3620187.697 235211.4508 4131946.301 3607318.87 251738.0092 46092.90496 65901.5372 49336.96956 65522.15919 110186.6424 36100549.28 8878840.113 27352502 4343411.156 684225.523 13236299.61 14468451.09 44125798.45 1313089.951 4221681.181 10118107.78 3684293.521 4170433.124 5912277.844 32547252.74 3902637.235 3181606.847 35030560.31 9610590.509 1099414.932 2519159.888 36424562.58 129476.1073 4325098.366 319394.3746 42132.24638 48304.14512 13000481.72 57574567.44 37302001.81 17461463.96 30199531.41 87581.40832 186391.0543 79173.50311 15506081.98 4669368.149 Isobutyric acid 59623.27384 22532.63663 260607.3215 93029.11463 204194.705 134612.3554 124121.3751 418458.0779 257408.0326 385334.4964 207546.5716 235279.7496 186268.9247 180736.8752 29650.82001 95348.72775 27021.77987 185186.8056 138608.2131 61609.45998 21852.18369 115551.6025 23005.75571 105573.1057 68677.64596 671220.0645 227247.1427 636972.2477 130688.5278 73403.42944 345790.6473 354163.1945 866743.3992 60342.78851 149827.5655 289360.2665 196381.7445 157868.5117 195609.9922 771463.2414 127649.6421 173014.4155 562768.1739 292097.0089 52864.87806 72459.59229 702531.795 41659.46759 132864.1613 16928.23657 80540.43752 66442.96587 311983.4856 961342.2971 991760.8133 407797.9175 667471.6718 40202.94522 75907.14317 82557.79637 368899.7169 201788.8485 Dibucaine 64569.92108 160723.7681 11594069.71 70356.79903 6610567.086 2863108.353 3217013.32 17535590.48 12533225.63 16961869.98 7562292.254 10188396.95 6849954.669 6105288.061 1105958.603 4171328.966 283935.4087 4776433.852 4050893.749 233943.3324 50814.20197 76903.90691 47155.35056 63708.09165 125117.7481 39477481.14 10269155.87 31808321.99 4857330.738 763344.8062 14773856.27 15932839.91 50263018.52 1363548.085 4709887.593 11137602.84 4229342.612 4460651.037 6758837.477 37241347.76 4524346.662 3717079.254 38757493.07 10659177.56 1220427.589 2814484.135 42394294.7 85863.34331 4869457.098 385352.1876 40668.01667 68948.53722 14326759.54 63010833.53 42074501.91 19285197.42 33278692.7 107543.6112 219264.2942 44226.61875 17028618.26 5282968.533 17-trifluoromethylphenyltrinorprostaglandin f2.alpha. methyl ester 19863.10349 14892.93491 142446.4955 11734.16459 76043.4187 52777.63807 58980.30899 171435.5399 191598.405 175193.4436 170096.4096 125222.4997 75611.25981 86847.76005 13400.3846 107866.0451 47246.06139 69102.9306 66340.80861 37398.80802 9887.329569 4818.370618 12924.99505 20849.59605 19837.43443 653683.8196 194601.2787 206285.5852 83179.7683 30867.98265 169215.1021 172028.8338 349553.5871 243732.687 62305.73913 120515.0908 41504.48356 87578.37366 75251.49634 497955.6967 66792.08787 45938.23055 602276.0586 136849.9481 30676.6868 36122.77066 655553.8882 43311.98948 55935.41226 25519.07781 9314.281376 21165.13274 168827.9909 766556.7609 464929.7005 193028.7488 526975.1334 25531.54801 22985.65305 12618.9586 186283.4923 49495.33711 Hc toxin 31146.18335 30118.52354 667816.7425 20060.65424 243064.7929 151669.6877 145180.7492 783677.4981 470333.3392 676866.1795 333832.7164 505469.3661 262846.3206 277945.7744 64517.15119 195964.5388 53893.67755 173738.1428 182473.3535 65190.41865 11795.24975 18035.14842 13976.40547 11457.95794 21523.65604 1197007.681 615440.3825 767469.8248 291151.3985 54242.91244 525678.7969 605521.6866 2183928.459 476153.3682 207845.7007 492723.2334 169180.9594 210386.0163 228693.0377 1132939.2 176624.3686 93322.77538 1809654.068 512167.9177 60165.14492 129528.7943 2110525.858 50683.25336 154767.379 31068.62651 13265.52465 21073.09516 581865.9243 1700693.289 1429729.872 658659.1874 1566403.45 30570.56633 36451.67565 20726.83385 616176.7582 233279.8594 17-trifluoromethylphenyltrinorprostaglandin f2.alpha. isopropyl ester 22255.12486 29256.09837 596179.9676 21052.81455 234614.5567 222540.825 138829.2017 619438.3028 689397.916 565395.804 377985.7401 386132.0817 210215.1416 506765.1632 67216.28685 224809.483 60596.5666 146315.783 164110.5473 69843.36559 21128.30081 22198.64914 23358.22295 29360.99886 36414.79489 1319767.685 513883.9231 973413.2658 203905.1294 41498.57223 477332.1725 566277.3634 1586776.014 858699.2784 146988.1507 399732.0174 152554.9151 149754.2596 283386.3851 1013446.808 121523.7479 133339.1745 1365327.476 357107.5943 61274.88074 144302.7498 1772685.254 72495.13323 161855.986 25920.6162 17940.4457 89780.683 466327.4986 1804533.627 1537993.861 663498.6375 1256463.064 31342.14592 46506.38681 24972.85859 563484.8162 194473.6154 Mifepristone 40526.84895 38394.53177 158860.9763 26351.71132 40107.67868 52735.7867 66984.80308 249606.6206 263790.2641 104568.8999 107909.7344 119649.8172 221795.4572 221690.0441 56630.1289 119837.9302 115491.7571 61742.42954 264175.9598 36854.68009 14150.889 55432.21908 107963.743 11414.85605 68894.67347 361387.5458 223340.964 662765.1447 75190.80285 100237.3844 254330.27 264508.6268 629951.0701 70158.16105 84811.93009 139204.8063 80605.49371 62331.44589 214239.7518 494484.0254 99922.49328 34466.80986 439405.5453 75172.82089 196721.9443 71623.54805 371368.8418 39217.0126 48336.93035 76094.59363 34372.31539 127596.8349 288891.3546 223478.6225 324629.7235 261137.8565 255250.9954 85181.07308 21960.64813 57373.28164 156045.5595 79898.63675 Octaethylene glycol 32793.65782 32091.49626 585744.3573 31562.57327 475037.2481 136828.3009 143315.363 614496.751 538583.9651 603123.2411 383384.4164 455243.5381 271933.0599 203392.8865 44282.97125 234480.7094 12113.41445 213845.4707 157149.1946 83006.68446 44824.93381 26523.52225 28192.07595 109797.1887 174617.4004 1619344.31 465353.5831 1093114.721 260844.5142 36889.04506 455608.194 637278.3595 1516393.631 289657.2421 178544.4033 396279.5368 173939.677 172957.828 253120.0197 1295366.572 180033.4885 170483.258 1178198.146 474988.3129 60608.09728 110977.3334 1629489.035 59876.6925 189153.2265 564550.5884 185940.8942 173164.7709 490840.084 2214970.537 1374479.506 785055.7702 1201021.811 140949.8655 26548.72684 32161.68589 413042.014 240722.5058 Fenpropidin 2810195.266 2664232.312 4687702.559 1872650.18 4251730.691 4785123.218 3697931.33 2744415.938 3887241.406 3259054.143 5111937.813 5494385.987 1732024.582 3052745.663 3473208.575 3112867.474 1289954.726 2287085.699 1447318.223 2330876.276 5889910.085 5779437.365 3974905.085 6618246.343 2387574.741 2466811.802 2616556.045 2477819.601 1301974.713 2250039.4 4779215.14 1855886.429 1578872.902 2232685.04 2337384.906 1887181.747 2898154.249 4066055.744 4240540.937 2277886.516 1891676.938 2355244.366 565573.0627 1749954.637 3288653.2 3001439.239 2015030.703 2998079.529 634320.549 649535.5919 2319642.773 363503.6441 2073768.46 1729727.769 1394303.607 2229521.206 1802935.447 163128.1001 2218825.614 1126313.273 1426626.028 3310741.381 Tributyrin 105057.0535 32118.92517 93132.61449 438639.4042 101655.9582 673659.858 495315.6957 36310.3193 56746.79311 329183.9847 74829.07585 83853.18639 768392.9998 774629.168 393247.2877 33398.13616 739799.3323 1376421.678 1244686.906 275986.4511 36401.47132 137963.4608 35844.86141 169699.9316 35202.64764 51293.04154 521129.404 42290.86737 94668.48578 147314.0315 44347.44603 20099.64802 88588.45265 60082.61778 157712.9837 22400.14741 58924.70096 47293.93351 47695.47517 37359.78657 42305.96779 41465.90239 142916.678 110481.8653 128074.7564 777514.7267 96985.37126 407079.0659 30097.49131 853022.1863 25772.99817 49390.67821 183239.7849 32023.61257 42435.3849 31984.28377 7800.601754 3346418.295 377559.037 115823.2203 676295.3015 170696.3001 2-dimethylamino-6-hydroxypurine 5496.567932 9255.37303 26774.43721 151299.5717 36313.63567 74082.95318 279129.0759 15499.10398 26662.24211 26850.14229 191139.9185 39330.19281 53991.83667 128168.546 47211.3384 141592.5729 61578.06981 55923.50974 335993.5186 11991.20972 12930.64097 39454.11364 62790.7524 54409.35835 107037.9565 63338.30145 366893.1668 62236.91781 217084.9216 87963.23943 482405.3784 292307.5485 107687.6955 322197.5304 61549.73406 595271.7909 28861.22016 1077966.981 30375.66991 14533.04865 305726.5032 12848.24257 32297.47705 529403.1972 23424.09942 59226.3578 44756.61221 30930.53884 42092.84155 1594395.588 388521.0308 59963.79612 56855.79018 18093.57445 20606.98917 33060.52501 17705.28257 151727.924 458627.1996 384542.9336 631170.7393 2684.73675 2,3-dinor-8-isoprostaglandin-f2.alpha. 71223.29253 81377.8747 608437.0824 71491.49233 432212.0808 193194.5105 204090.648 959940.2925 529221.2712 556157.2884 377137.9187 437235.1979 277455.8081 215324.4119 72172.89148 242691.5838 60646.06569 196217.8351 191227.3351 101246.9632 35434.16367 17916.33286 47967.60977 41362.7823 46297.2065 1238492.128 413142.6015 1044809.626 269544.5562 62813.90535 557387.5439 559879.505 1407471.88 135854.8413 254542.9421 479030.2393 243102.7995 160245.9666 252887.9042 1155328.091 184573.4721 179597.0528 1050243.511 471580.5623 69726.49197 162692.9108 1491356.393 74702.45914 261674.0045 34670.83999 19942.318 33588.54406 485844.6419 2067410.931 1371010.274 674937.7869 1191770.17 37072.92152 14729.14894 58329.18732 522980.9879 223467.7371 .alpha.-linolenoyl ethanolamide 168762.6278 68744.84365 109633.4358 73928.1555 67492.13079 146277.3118 65607.54016 268495.3822 53292.12006 65867.2863 139369.7614 121387.0706 533341.0857 323447.9929 81128.12334 115066.1616 81692.43585 88490.25998 57167.08961 61211.95173 47957.64148 18569.67732 40157.19844 49036.38167 437658.2467 96151.74614 140144.1687 122070.6398 82327.58175 418417.8292 1248109.048 473477.3739 50752.89648 39898.15262 141519.5282 390752.8146 353767.1595 703043.1517 362784.6343 227029.1118 970168.7983 43003.11978 29970.39353 53084.08565 516830.4791 189520.3964 74132.36355 188580.3491 115337.1534 79709.44576 916882.0677 126159.3601 206992.0596 37327.51632 26027.81813 92258.19284 26070.87233 70578.13867 150033.8468 625082.2627 60096.36883 138845.6409 2-piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-dioxopentyl)-, (1r)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl ester, (2s)- 13810.08044 29049.81273 808417.9204 19219.37202 281352.8157 95622.54221 198077.3791 935194.9553 632809.5953 521693.7574 378582.3397 331135.2169 195414.016 357048.2688 83249.58358 322442.1596 41503.92186 146694.3282 107107.1888 78931.0747 17311.44471 43789.67097 68546.56067 42062.35844 24761.8268 1395396.873 573834.4377 756024.1992 198078.0717 52911.22709 309153.6408 477476.0328 1560653.217 1071257.895 128958.461 407736.9595 136181.8651 173303.917 227068.0554 1061632.032 119364.457 120573.0078 1191815.171 363704.9451 57812.03685 110674.8625 2253430.383 36948.9961 141923.0505 25161.65282 13213.60148 22800.8776 352284.9063 2064799.489 1515527.719 716817.3847 1200831.564 20976.31704 24720.99431 20850.10931 850233.4839 201889.8302 N-acetylsphingosine 51713.59036 259698.5719 154057.6124 204385.1711 66665.69941 60517.9082 70357.96312 833877.5404 69946.5343 102182.7268 274357.4477 81886.41477 1996045.703 467954.1515 179629.5343 89911.79126 708638.6672 106930.7638 175036.947 41886.79994 115112.7351 30199.22398 84266.16926 31653.52005 1122715.211 118285.1635 54460.7578 82269.77103 108254.7251 2134064.314 2719628.652 2692559.892 47025.43289 37152.30632 246194.4653 3488790.924 1058374.376 804073.5231 1521545.736 313607.2493 2300541.868 49583.88979 23335.57749 110855.0468 476358.6917 144110.2265 70580.23327 227079.8298 313279.3212 499435.452 2338002.156 149977.3817 1814573.876 36024.80313 35582.2545 531424.2295 43548.51828 478522.639 78550.55009 2715484.987 75953.76354 485473.8592 2-(2-butoxyethoxy)acetic acid 77938.68776 35680.63622 1333710.195 13054.47815 728055.1763 347883.0699 357658.765 544070.0581 478196.6024 603111.2793 603488.7426 808080.3336 884953.1752 328347.203 175139.67 397999.2869 178970.0038 428719.4593 225186.2611 65910.52861 45813.36337 33808.46609 55015.02194 103051.9833 96122.58081 3517282.421 212767.1814 1485005.986 223780.7324 117960.3119 1153894.067 1152401.106 3895339.272 143845.8264 205087.9088 1031178.196 180820.5671 140049.8489 266654.1507 2384014.722 141976.7723 292418.7902 3527560.792 318474.9448 151149.6903 428815.2233 2578164.64 86406.03351 255446.903 21756.44012 39133.99756 88817.99786 1333923.639 4757227.167 4165084.581 1746487.508 2103233.147 66974.86788 95189.05821 46197.82351 1537137.471 227951.6621 Phenylacetyl-l-glutamine 28337.10614 40710.70288 25219.83945 27756.50511 61055.02886 72883.54757 77644.81622 20488.44867 27470.6979 35624.46651 33708.56607 39060.87318 28201.51391 36930.41718 42353.56029 114723.2267 72778.86865 31833.89037 10429.39761 43240.97378 46258.89578 42980.57328 64981.20773 62395.0681 43582.01769 46166.82789 34219.64366 44913.38993 93141.96942 61695.57692 497736.7776 2305727.309 1988654.864 64575.00857 71277.24221 917989.3118 37266.76739 490223.5002 54126.73116 40389.73582 316881.6521 219190.25 42788.39416 65294.64597 36902.12899 19656.67293 62857.59801 42423.07323 18932.16332 72017.44998 35988.11787 46838.35226 69343.82703 39289.71778 189304.8325 58877.04785 146570.7571 71302.29627 52687.64537 642621.5835 47215.6857 12904.26816 Palmitoyl 3-carbacyclic phosphatidic acid 801833.732 393846.2996 7786136.836 1673099.123 4056378.956 1487941.326 528696.2285 5158532.5 1741979.916 973215.3171 4126112.953 1083705.336 267169.8636 264400.1496 843846.9243 2035743.394 978119.7252 954960.3267 137658.2964 3052237.18 3694075.483 860019.0586 5898083.261 2506981.613 129047.6122 1841399.21 1845643.38 1005563.238 1372683.057 330353.5801 973757.3878 14341.26588 468546.5753 59396.81451 264809.0444 34458.89995 3086785.806 918425.4665 154223.9514 38667.30705 1280690.985 2433931.892 238477.4703 819955.2315 23444.73268 406158.0319 2780242.079 2525027.983 1176311.358 989102.8842 123071.2324 367707.7494 76678.6667 1267439.948 919856.7435 1251952.341 794659.8215 380173.0798 3232128.593 340763.9083 2189635.881 4763560.755 1,5-naphthyridine, 2-[3-(6-methyl-2-pyridinyl)-1h-pyrazol-4-yl]- 240323.0633 503374.8794 50451.01435 14546.00099 527232.4014 169345.8062 139417.5806 70976.62246 429290.0008 428076.6513 29573.2698 1065679.725 103384.1403 7531.034681 305926.3172 152169.2346 608654.6495 48916.26029 42457.81601 9638.854559 437828.1732 75443.91858 104988.6454 51916.33318 22266.64773 39563.82978 162181.4348 8371.888856 263240.6085 41133.55276 54360.09476 36383.9984 68185.72665 140279.7453 148520.0343 85937.78645 11505.05537 45097.69267 107382.6437 5059.407741 140092.3771 169851.8113 49261.65135 1945.970564 9180.053097 84391.51828 43556.35517 22151.30458 259139.428 2690.539884 2823.672283 100837.7002 98781.8388 146541.7874 25437.19386 62051.28532 12510.11189 31725.96085 5305.880332 48226.48119 474180.2431 44887.58535 4-cholestenone 272823.4741 5319170.382 12103419.78 3245978.786 360932.4654 291809.2925 582109.2514 123961.3381 212120.7841 250447.0402 5951520.387 5748863.742 81895.03645 5448791.171 2030327.198 8506692.528 1010124.776 8220294.434 222527.8622 14134418.96 124882.0651 482001.8953 116856.6992 2373488.077 85147.85391 1424912.449 953734.6731 670434.7098 414353.8771 107835.6422 98926.3133 154038.7723 1583391.844 305200.3802 2248383.757 107186.5282 2032752.177 2432960.599 139208.8152 2420961.602 100070.0177 706655.175 70086.29336 649064.0197 199333.4299 388883.7162 3328227.089 776436.8444 51971.68545 63384.23922 180808.0228 362617.4811 173969.5398 360827.0562 1213719.668 2637702.017 8642143.854 368673.6764 7670462.328 122488.7684 277108.3924 78231.04644 Myristoyl-l-carnitine 17366.12724 21688.47067 21819.4037 38142.38831 32650.24103 21399.71898 19113.74316 122362.1906 17318.70895 21168.9108 30117.94303 15614.38886 359870.6671 112298.7987 70830.43851 109305.7307 100301.7323 50568.49959 73580.82878 3940.187067 32154.81848 7405.177545 32570.99812 12832.59218 272669.4074 16591.91063 37749.68879 14662.90631 22800.19159 508295.5909 1057538.399 355144.7703 15155.70005 56298.93323 12626.72789 281572.9332 11772.9099 537693.3375 467699.2812 12499.97707 921966.5002 17448.24791 11012.9626 27453.86559 128790.1471 278147.8032 44055.09658 27665.8837 66007.71362 372523.6433 947238.7958 295823.7127 360091.428 32698.83433 7820.25985 129527.8092 9643.829673 152369.9423 38603.77564 250118.0374 17886.15512 417013.7892 Trigonelline 205358.1341 16897.77977 1473622.934 178438.2453 64811.45503 75442.35089 204107.8113 3689155.909 1030687.011 216016.6989 1145282.194 1685645.708 487639.4022 98111.83496 79297.28851 137833.6774 1163266 157372.0035 258082.4196 418663.2569 85317.66187 39653.15201 85241.06028 54923.09267 712724.01 1543683.777 1462183.896 2326958.679 1200265.674 190713.4752 1686467.945 910776.7028 1016809.372 227903.1983 2322199.943 289213.4885 374471.5658 3201760.942 427406.0791 1789266.683 3340704.991 523070.9298 935564.1943 238669.688 64420.95757 83702.9143 801061.6321 135420.175 219915.8506 433152.9177 35579.90486 154199.5128 361585.1324 805523.8005 1969397.894 690720.2998 392816.2925 87178.0064 31881.89509 117406.1504 148230.8129 606601.4791 Carbofuran phenol-3-ketone 23757.70473 158316.2684 190210.1735 133473.8125 221071.9385 444710.1435 268320.4923 39862.37139 157865.9155 249215.3842 46950.89202 86347.36939 193175.1671 12047.71604 22148.22901 26504.91268 76318.78482 6000.958203 138605.8721 171491.3179 170453.4543 166962.2472 157268.4546 141532.6863 209430.7489 111122.3995 224411.3847 9847.816452 214087.9743 55463.68831 36868.26099 26398.72577 86928.76671 143975.2286 136261.6237 28313.73309 166520.896 32273.09793 20023.32809 30397.98496 58055.41258 7838.554197 100320.0799 37610.62773 24939.82115 238609.4463 317881.9274 190080.1219 37621.77957 71176.87917 19515.23242 97351.70342 16777.53488 69248.97594 95258.70263 49704.10952 89965.13582 140329.5298 214751.1981 167731.629 151929.6067 20039.94391 Clorgyline 55571.57512 33966.08926 54502.39523 32724.88753 42209.40825 364257.6168 208295.9893 118934.9046 43540.96717 597050.7133 57660.94377 915302.4308 64240.57372 6579.163602 34521.80934 131085.2836 87617.78873 69467.82713 27206.68732 365320.9023 738.2860568 5288.018761 36484.59912 138858.5761 79.12001391 47620.45296 80151.17399 1534.976473 75522.98748 2603.33039 2533.565856 533.9461859 19887.15176 33592.28544 53506.39916 774.6298845 29078.09107 21719.50684 685.9875608 86916.76834 1546.642036 1057.148938 9275.412727 22429.60429 1326.817505 5840.47052 30917.80204 22792.3791 12840.83194 77442.28621 1530.407172 978.5419603 60688.19221 59594.56002 20020.13457 9012.048103 54809.47687 74835.65961 68113.31593 1062.702869 17098.74353 36309.96182 Guaiacol methyl ether 140942.8024 185691.6576 416400.2748 767684.1888 191305.9273 124378.5172 394779.1881 175741.681 153639.6642 352891.1609 107019.4729 57313.28202 185662.7566 577743.8382 784527.0012 972589.6644 1279450.191 226662.7157 564283.087 593287.7898 259293.1717 266503.1554 160411.5624 53322.77641 273999.535 174205.5099 566499.3834 512467.704 276378.1662 178414.6301 64543.35825 35318.53174 99039.14597 219321.3219 90808.51771 83439.1312 100574.3895 64006.00748 132879.1654 60776.58421 43584.493 521580.9391 47997.77375 177916.1737 322365.9884 255102.5106 69145.16977 88534.03394 484073.8456 296116.0772 63672.01581 209981.639 395353.997 58545.31804 40585.5662 154265.0459 103891.912 508827.9363 79810.50107 85084.71256 68370.30546 381862.5836 Hypoxanthine 8286295.821 6633054.467 18985432.74 1923612.514 8191474.067 823443.8525 6526889.116 2037335.283 2877944.505 7076412.739 12597984.92 11129660.83 5297405.94 3578220.922 8644204.176 17330906.76 1135744.894 5368842.418 4128356.222 6362900.229 5447229.849 1322553.25 3398371.968 2812979.981 11251133.21 7189133.696 14749504.05 3037391.062 3673374.92 6413420.285 187408.548 1313477.177 2175507.881 1166531.242 1884922.195 1487802.697 3599240.318 3818820.495 2337564.67 3452562.799 1315150.186 7317669.564 1577354.474 1991092.525 3410604.496 1438827.358 10311808.51 4499194.545 4284615.24 660571.8699 622084.1044 4832258.669 3668127.419 2526714.243 643731.8418 2741957.773 5142108.377 3494512.958 9005226.518 2216417.924 2114685.05 1176027.558 Cys-Trp-Arg 90692.11853 189085.3706 90794.28233 416099.7306 73386.21799 173158.2575 74949.03289 69139.21215 68706.65029 87206.36237 103577.3975 21261.27412 553021.9926 1029132.564 473374.2691 388789.3397 1106177.138 644013.9846 1027055.657 356216.5802 78446.83366 87172.89655 182093.6306 54396.22345 146746.3334 122946.7254 341279.9756 197835.9807 229582.5036 222130.7214 58364.98808 25370.26795 92461.35476 30465.23431 21656.92142 41037.19773 236915.18 57800.05745 170755.4772 39242.06731 38108.42636 77932.64342 26813.093 139231.1263 435769.4904 678969.1078 74256.66041 127012.1926 676534.1413 370169.4034 51371.25934 323667.643 280396.0433 46289.55876 16427.05701 197640.226 26901.07516 415592.0822 79608.86044 83386.89956 157231.1674 361845.6859 Glycerophosphocholine 6384623.999 3131733.156 9633826.866 3433361.77 5416784.943 1654076.288 1060932.848 10327560.84 5922875.892 7138904.634 10762598.57 6471671.498 10719116.75 6091643.794 4673868.542 8124519.247 10357448.39 4281922.054 12933761.61 127004.6025 2521050.16 1462185.019 2261569.82 2448202.918 8994342.167 13440739.57 4159767.475 4982972.868 4080606.233 30791734.23 3232752.166 18079566.96 8286097.703 10260217.02 1248494.916 22009620.1 10988751.83 13924203.61 24080324.51 199971.8109 11090117.91 4125181.817 8264933.583 1171535.234 4997775.458 10957882.07 7962790.871 3352637.261 6683782.805 19481163.15 12990558.65 14772473.21 2156382.431 4986603.843 5092432.521 18469224.99 6622626.628 5827329.813 2229449.429 9507081.175 1732745.076 7880925.56 Nicotinate 1974912.542 1280066.415 2106350.248 714991.0486 2140975.273 255134.5411 765466.2601 626804.8225 500214.1457 2166371.925 1034369.968 1896266.721 2419327.934 1773526.61 1021922.597 1089371.567 2990827.64 631073.8128 768911.9895 817487.2548 754872.8644 78901.45179 419943.7202 133815.1778 959507.9786 1423259.808 796201.1695 1493560.184 1653686.379 841497.9486 175782.4802 240113.7598 748407.9217 843548.5272 380098.3001 183866.5181 967068.0142 336457.5195 455769.0252 1310614.665 172822.3784 1103238.798 253954.3791 438153.7434 742411.9101 492607.1887 572191.6711 1837909.845 213600.1281 624108.5673 189348.6266 544060.9397 1039983.014 1228349.352 384606.1389 509448.8092 1433949.858 1739455.839 1985019.759 287736.7959 585876.2134 415698.0845 Lappaconitine 519038.5579 184941.0677 618319.5269 306299.3522 868074.3933 2617233.051 289045.0347 3010546.443 383305.5801 644752.9408 5752827.886 1081110.913 2718116.948 549251.969 3176832.592 203183.2955 843069.7144 8043192.798 5435426.159 69266.28667 103537.8644 160439.9505 310570.3636 246121.9092 3848118.542 620525.5134 183079.3498 265556.7266 630417.9128 1992589.055 261346.0014 84352.4557 478116.4458 543567.9067 109826.1617 79836.09395 594585.2703 2381602.028 1371542.192 115186.7368 190414.2752 555705.4408 73060.46813 1053682.139 108715.8163 5924299.632 93556.549 564499.5876 3706338.019 746532.4072 179421.9838 126607.3056 1534848.488 611430.2295 1052769.56 423011.7723 109194.8715 1473645.051 772082.8973 749245.4846 27691.44605 110406.6742 Linoleoyl ethanolamide 193467.2516 218713.586 671445.3132 913694.6066 199479.8476 111473.7435 152356.0423 3001677.107 311714.6415 138374.544 754639.0385 237867.945 10940600.83 8747158.269 547700.103 1107717.316 423373.1407 274018.7328 296121.4428 103692.3751 643081.7481 96024.68799 182699.1324 113248.1718 8938753.456 500537.2034 332336.528 1042377.119 152662.5462 8558106.201 13913013.71 11892171.83 277539.1119 97570.75149 557625.3118 8495625.649 1936005.098 6042712.528 6762652.331 1208960.835 14595230.42 98289.22476 147196.6762 74812.24823 7986157.464 1046756.88 400464.7294 1367954.884 940921.6566 167368.382 18614310.88 2637662.823 5807906.148 98854.585 56904.60292 1426595.456 75856.80233 328259.0044 250301.9411 15219797.8 54707.74705 1004744.317 1,2-dipentadecanoyl-sn-glycero-3-phosphoethanolamine 12414.68277 94118.12364 226341.7423 75176.62113 10121.82208 17498.7332 116083.9859 44640.42251 202265.5926 85082.84428 104485.8402 25299.40589 74622.02972 28948.13113 106056.2609 21219.80629 27379.2797 799549.1568 20742.23425 107094.5414 1115210.459 498584.0567 177628.8844 199822.0601 16159.24061 33193.98108 34709.90984 22234.84178 13124.59851 20779.58219 11808.72962 6026.369309 24758.21914 63125.33164 51917.80093 8043.659552 65603.47123 18554.09003 12786.77344 13102.03546 34976.91865 19577.38457 22576.77833 167021.5026 158690.787 176726.3013 27899.65113 51823.09822 23738.14348 183168.8447 567364.799 154530.1036 34730.47842 39358.74659 65434.49055 14921.4231 48018.6345 19086.89876 233496.9656 43232.38991 156117.6036 55664.77673 4.alpha.-hydroxystanozolol 1200722.714 751902.1935 12892484.61 2385495.814 7722956.79 3650099.045 1088054.059 6327932.83 2898359.54 2329642.848 11629587.33 1992122.23 594714.5042 426699.8249 3455246.213 6101625.902 2670259.151 1320863.503 115184.419 6754990.89 5044002.716 871697.7107 6747457.795 2910621.1 155776.4873 3561973.974 4946625.696 2284492.82 3280066.341 945162.2828 1170494.181 17388.9297 914391.2582 102622.4355 499566.8407 19138.82782 7147129.795 1169958.051 413918.7285 179403.6919 1402221.815 5521987.057 468836.9515 2060522.293 38264.77177 2157400.665 5083753.832 12504401.54 1272064.156 752269.0002 59666.99075 349418.7849 231252.2217 2136472.409 1188770.518 2100306.464 1351625.532 580063.2927 4280610.662 480498.3094 4731782.671 7540047.35 2-aminobenzamide 44711.81535 67534.27611 90756.39117 211833.6479 55457.23385 92659.28685 66372.50291 336408.7274 67813.65218 84201.51793 178817.9721 113212.0597 509226.7099 149729.2261 212673.0217 326573.777 194420.8514 221880.7131 663139.5991 89040.22525 173091.0631 115679.7581 87369.84434 36753.24984 86333.70564 28752.15362 73245.8969 151521.3859 88124.59674 800715.1078 790179.6624 295812.6914 186150.9957 35685.66063 127027.1835 156060.4382 158365.8557 1218787.343 805714.8171 204611.4737 756200.3766 64259.56483 270853.5415 70397.12207 395953.6859 464369.97 71575.10324 173290.1717 223876.5099 1379829.982 5502050.805 869307.6305 171194.8217 44907.11749 40815.67141 291994.391 53628.88566 63134.27622 192331.2137 341976.3991 66595.98258 243229.2403 Cyclohexylamine 16296073.59 70778.84106 1006356.671 340551.957 3118314.813 2518010.734 2928805.769 76907.73571 33381.93144 32499.08141 416748.0363 61069.56433 5480345.665 8731203.824 9140274.278 25240.7024 136563.4663 2799164.58 2244467.709 167261.3119 700689.9371 1263626.241 4400407.156 443885.7485 5186540.506 1071585.123 34611.28404 400194.9818 40091.04755 2028518.777 703849.9628 390005.7768 43907.36652 2305884.016 59388.85807 363309.5372 63367.96197 171227.0542 578959.0199 133435.2842 637788.2879 421298.3886 26475.89476 220515.5202 5955173.64 13776865.58 1554487.112 22303.51831 3334462.431 11155620.59 3889370.598 10411.76408 20052.36765 157116.434 361288.4749 1506236.316 75576.65292 178917.6494 159823.1383 1711960.682 254874.8485 3470887.774 1-stearoyl-2-hydroxy-sn-glycero-3-phosphocholine 167806.6066 2795623.964 779751.6471 1746203.9 1598430.835 453476.1588 182286.4323 893675.737 22175.61272 3815591.368 4153041.944 330826.9607 3425632.675 4988237.543 1988423.448 436059.0557 2174093.683 1216362.361 2206826.557 100734.5556 106756.9468 126953.7468 113757.4786 42406.22679 2428027.73 156626.7231 166160.1626 183879.3595 365905.6058 25921266.64 1340663.763 5660170.499 92004.91296 24032300.07 144047.4978 4692056.503 2364108.445 10908004.11 19371007.97 194067.922 746669.2049 218858.8435 29224.70342 266488.493 3313867.745 2620910.17 668468.592 247678.9462 213675.5847 4241596.32 2157768.567 10322144.93 1598745.832 29085.34594 265028.6108 5456475.377 115277.9963 2348777.432 284517.6064 4257367.306 58177.47031 629325.1909 2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 9813.001734 4693.177958 165966.65 8249.022993 7002.224843 19160.37459 58295.33469 226342.61 14535.58786 25997.31815 206985.7076 8382.080246 15099.84364 6613.745441 7493.68561 23021.3596 13444.44679 14229.48329 12577.87379 10596.01536 13385.54562 2891.633826 11521.18378 7277.988212 8130.371474 1488617.405 9208.104942 6892.431183 39066.58071 27131.63895 150659.3503 298861.0665 335475.0627 12690.85316 22532.57464 60885.83189 11781.41606 72416.50358 126137.747 22535.2672 191937.1115 21489.78143 1011078.104 17187.9155 8762.502656 13282.95187 337968.2034 11487.67955 8135.561325 39178.22853 38851.53032 64876.78782 9830.456085 133697.8475 209360.5922 315183.1585 469843.7836 24063.9161 10141.52366 8293.581545 43552.8038 21678.36966 Benzamide 320568.4643 237254.2954 187166.0452 518165.2936 72227.13579 423446.1846 120542.9355 117067.865 128471.9865 137671.9146 182286.3624 18712.41666 874774.1692 897344.6504 665990.1253 1344791.017 1213563.577 504248.3781 1426525.845 1009415.194 180265.2969 124605.5716 351022.217 51947.19701 185754.9924 242159.0461 702711.9239 602259.8774 234009.2911 391591.483 154531.1319 50343.97685 187483.9335 50227.21523 114075.3258 53333.40045 191550.4921 134004.2536 465013.8668 162607.9396 84977.70995 232681.8878 21643.8014 206112.2896 460475.7278 652814.2733 111683.2702 167983.532 853501.4146 276941.4598 98186.57497 400184.2501 308115.2002 63666.22621 41928.42617 304452.2699 43140.97741 252709.0948 132645.0601 125114.8683 129684.3848 442766.5504 2-mohma [dmed-fahfa] 20345.67041 38879.0576 159916.5234 50051.42687 8769.439882 5218.036236 80107.66224 31318.87321 88013.93133 98835.78854 50034.08986 19298.94657 49740.7938 18460.62281 79345.75007 10895.57579 13401.8464 579991.017 9126.260005 24677.20869 805231.5778 391161.2387 161269.231 164261.9832 12080.50673 17243.83934 40228.58898 27002.28337 4336.020007 9271.610214 8150.968179 8216.319189 10971.26124 33022.17326 42936.92493 6798.613595 47685.84882 10264.94156 7872.018341 8139.238673 26232.73863 14953.39292 5840.508255 128877.3745 101047.1602 114707.1358 24557.80722 45392.57201 16332.27376 114569.6313 415905.4189 110674.8281 18317.3901 44951.22726 47849.01097 9838.857035 31204.0278 15539.08611 153369.1996 31884.13282 136380.6973 35841.89763 7,8-didehydroastaxanthin 14050.30793 10333.37056 181733.2128 13414.78139 51959.24324 47823.44001 48615.01916 502178.5187 168168.5769 303857.0306 54232.47093 258778.3259 64774.12198 38222.94843 29026.86724 71588.05627 39574.18302 52860.25809 34619.28271 36220.55076 26589.14948 7528.881197 18452.82092 16662.03662 14308.54831 347271.1337 130471.154 483178.9433 88693.84197 23279.06538 138957.695 114844.0878 496653.7372 27971.62689 58811.78942 90739.81808 35312.69176 62772.60254 276158.1198 253837.2149 55350.92209 39634.72041 277823.1252 291405.9929 23861.82738 35364.40646 776625.9045 26704.09684 41095.88532 15370.95583 11772.40808 19867.88374 242956.8374 116724.2094 84370.69282 473047.9899 202284.2293 16034.21227 30972.75527 15567.07397 102445.327 59922.6208 Arcaine 25732.82407 29276.37298 6541.994452 31091.67548 27303.61357 28076.84914 33340.02571 28417.61042 30344.12234 31980.04755 28495.14453 29712.64402 38841.54664 40114.68589 42226.85672 36354.965 51099.89949 3216.861701 118790.6794 5344.905062 34781.0738 32353.79805 5405.876491 5578.706344 481256.1245 25862.48729 29766.76304 11549.41023 32569.14465 676498.4093 81956.01954 904735.4841 30700.1836 23870.03166 26836.33421 775742.8182 155551.0375 40522.92 384768.4927 29985.87165 58689.8463 36786.63129 31004.6715 28584.99796 15219.11705 6671.666364 2909.235615 29980.49266 20637.00787 134415.0805 2977757.12 174819.0238 76453.35176 29084.77132 26991.38446 36909.60838 27555.60715 366005.3797 32815.72546 61805.07389 31363.86052 31307.98174 Creatinine 38105.35059 157313.3106 372117.0376 18772.53294 82545.79933 84392.0258 103022.9246 2854622.186 1160247.918 90206.74525 137048.2287 441560.5303 7207828.554 219387.2799 255565.8369 371886.7023 141034.1981 563417.9006 3999968.776 44056.10682 2975105.296 5560809.946 103980.407 681505.4421 14990080.07 374372.5725 38379.61879 830650.3039 88769.82712 5277717.927 32184936.61 4399966.964 22547767.69 39797.86244 88174.12632 2636090.51 298834.3539 23369958.2 2871949.687 112623.1171 27246991.52 102835.3745 157353.1763 61663.26164 1033261.458 7248237.912 992186.6642 100508.0008 7161999.066 19634579.12 3167269.212 7801351.829 130887.0599 96706.37009 3323083.833 10472013.78 53084.17563 325442.9198 1497842.236 19875605.74 39040.42354 15406294.44 S-methyl-5'-thioadenosine 11763.44406 187354.4793 177758.519 207783.1614 147644.3762 91674.59559 77493.9951 45930.09988 145829.9487 144058.2281 197825.5211 149190.9154 111487.6249 172238.3574 437853.0592 93305.04654 475821.5811 149858.0373 314602.3569 132704.3403 10221.13528 10915.30526 5218.866248 43361.14933 59896.02028 89730.44134 18786.98391 193034.9993 51286.79026 102777.4319 48293.0941 58965.90014 45980.60068 124615.89 129562.8333 3929066.683 5030360.523 141463.4302 201112.006 402305.6459 36786.37188 70208.9854 157849.3397 4633806.099 393889.7429 247476.1 45229.71643 229566.6105 45578.94187 89709.57139 35452.6744 43214.66734 394712.8201 56910.67965 35189.65609 55599.64035 44589.22628 324649.1911 374130.8808 167383.302 73062.48663 143644.9764 Linoleoylcarnitine 19286.98252 2410.48899 26236.59585 79812.13683 55605.70263 75059.94068 58235.73202 883065.8951 48808.68798 294478.2854 148169.0718 25969.57404 2753891.986 91854.26178 320706.33 200864.0165 397229.076 412147.5751 72031.00606 27924.09017 33343.013 5860.308457 138398.4667 8249.608988 1651378.075 28348.13217 10289.5403 44672.38049 18274.09834 3569112.854 1955923.489 2905951.614 27817.37176 140092.1888 51277.53907 2401930.068 35831.26231 954475.0387 2953246.761 53913.38228 1651236.963 195127.3373 49429.9295 6794.674074 327243.3031 912056.1628 32456.28308 40742.27548 387674.9572 567505.8311 5948677.587 600593.3475 289044.8355 36435.7209 5786.812547 163866.1048 54058.4832 328936.7619 145675.9023 1716579.413 6666.079515 672226.7549 Pyridoxal 172046.422 88766.97757 298548.9646 113419.4775 352434.1966 186391.7475 141832.0736 193080.5196 233833.4134 518079.6593 219424.2313 196065.7919 260335.0366 66943.77649 59949.86876 730367.308 687195.8822 212403.1023 103790.3586 581852.8388 75066.28891 21032.39716 28343.05349 104357.8685 145162.3541 1580462.014 187718.5459 293878.07 206304.4478 156248.99 553037.2661 182585.7403 1555172.365 182964.9498 209322.762 349808.5212 167094.1878 257600.8142 372255.6934 557428.9466 217057.7658 155412.2172 1039180.821 201369.7006 130585.735 146361.7188 1306751.028 53894.29435 95098.85801 270404.5686 209245.7607 98954.54404 174784.7492 126749.4877 371983.5321 792518.1472 159048.5704 120660.3979 212655.5544 81771.63996 164011.722 93493.27961 L-palmitoylcarnitine 5045.014351 19311.41775 80383.77962 57789.50324 59827.29441 71064.76013 27535.95487 278540.0455 17221.18064 24073.7746 251476.5963 69130.44446 2284854.643 1496507.751 1460243.446 574463.1048 1871282.781 650328.6835 274546.7263 38518.59195 25144.74707 26190.03519 624802.7308 17543.83589 2062374.329 41805.01148 20212.66406 53032.09374 41178.00418 5801539.583 3164456.278 2904974.544 24339.7647 687103.782 33569.32287 1761866.462 143568.522 1904399.132 3686789.134 38584.4935 2421716.807 18912.00868 15893.22505 24915.4432 1497776.507 1507229.345 30798.31589 86430.04465 362388.1932 2429155.792 3389898.022 2079923.471 4758257.335 10199.57868 19732.40166 586967.6418 9997.45533 935882.2749 674438.4561 1676399.925 18954.919 1408700.197 Asp-Arg 412441.4305 37342.33175 90534.13351 426934.7568 410472.6655 252759.7332 109991.8144 354278.1823 71999.25328 149800.2531 156708.3741 89784.84837 189265.6455 656288.3668 475158.9576 107990.7172 81517.89161 303683.6977 741644.47 87837.97228 2134271.771 362694.1929 2501003.016 376556.3084 467250.6289 611607.7724 81130.71961 53614.97542 133019.104 180976.6004 79059.47966 29039.87859 331528.1533 62061.61089 41444.08217 113729.8272 222610.0232 201469.0883 210860.5833 30693.42842 30788.99471 212656.4149 86791.75866 55811.58809 667758.3026 627479.3583 172912.0782 111249.4861 81782.30398 269247.4169 24081.07504 195967.9823 210568.1125 80207.39837 41401.6793 165844.9261 59036.66271 507250.249 80239.30266 177842.624 198075.4364 395911.8752 Oleoyl-l-carnitine 27079.28647 29537.88425 103223.2137 120310.9554 59274.74166 606157.6651 8375.740931 601210.3117 2291.995335 16995.44698 235150.8098 87844.02093 2749506.312 507520.89 772597.4745 249374.7323 342991.5011 364632.1989 104349.7262 67276.90733 26959.30138 12365.55374 480627.9702 17487.13717 2049117.07 74421.00431 14806.45827 28405.93739 57680.58684 8880108.173 2134704.609 2786052.123 33544.43074 842908.2327 48011.10424 2309072.697 121407.9955 998914.5849 4800557.204 64651.01191 1850861.627 129377.9863 4680.459507 16876.89145 517309.5548 1342933.215 54784.58298 79422.83763 764410.4061 1370673.526 3751198.747 603532.6607 669684.6515 13537.2639 11200.50181 501001.9339 16279.43344 427887.7603 251203.4917 1079988.241 17559.10472 766274.9043 Beta-octylglucoside 19770.08237 14371.15271 23952.13022 19711.25398 20925.30904 23341.85941 44691.41613 93114.20879 17209.50776 29102.20223 12962.04199 29083.05142 315579.8088 24883.78094 65594.9348 21186.95263 199031.4671 14748.18792 455842.1297 30084.17298 82960.58817 5306.809184 22613.90374 8354.765523 77285.73137 8386.967163 30829.35128 17628.57929 26965.5945 52287.58842 1049608.889 840937.0623 25350.03686 25087.98143 5883.516459 661687.5729 13165.98041 203975.7582 32385.76229 20745.06111 853738.9993 19305.1743 16354.37607 23097.23253 213332.9819 29207.17604 14424.23398 19313.14913 25391.50222 593242.2178 372739.9415 431406.5864 189302.5448 12344.42348 7430.891198 52879.02689 9554.235635 145740.147 20529.77823 485259.4124 44608.82238 320945.7815 Metformin 8022.853172 34139.98054 28538.82302 1371.229622 40375.23477 6355.04309 50154.98254 5122.281776 3531.545341 25661.09743 7690.001522 70766.88493 86861.39462 5655.656034 45418.25446 3303.230626 3621.292501 23615.19019 22665.63909 50877.69961 54036.68456 26842.42485 30927.49255 38363.99373 90592.69266 41531.92092 1054.9181 45442.08371 1833.368751 312520.3955 82214.14905 50433495.07 59739.29435 718693.7632 640476.7733 49357529.64 108384.7033 30481.9547 6551.224905 40275.04565 79789.7206 117047243 25039.05069 4287007.831 1239629.392 38896.31738 1812.04974 29512.2936 32029.97392 22378.90612 28396.34875 34069.17448 26429.69859 303289.3421 17108.03988 34288.66024 40360.51818 29141.78231 31219.08761 40707.64132 1708.745871 39379.30836 Cytidine 161985.042 19978.47864 2535465.487 296354.8763 3142291.245 16724.23029 113766.5336 552211.8688 191089.0233 606669.9105 3889739.265 283694.7204 593001.0504 234006.5532 189542.1729 100982.0845 54238.62181 777873.8625 646861.1418 5590.682033 558079.4373 694276.9935 238911.9704 119539.8991 2175492.834 13631078.27 72270.79261 122557.2314 148201.309 2895632.035 2945025.52 1230426.971 242513.9102 1604308.748 40440.66698 892269.097 824046.6102 7225308.61 2244336.959 7966.118518 8505562.583 81940.13032 527155.051 42438.32004 144746.893 681402.6106 3180363.903 33515.71056 673220.7864 898128.6985 638923.1084 433323.7472 278224.9996 295664.9992 534054.5543 9915692.357 4922527.358 156822.2584 139989.9142 2815907.002 47582.27208 1025934.136 (4r)-4-((5s,7r,9s,10s,13r,14s,17r)-7-hydroxy-10,13-dimethyl-3-oxohexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoic acid 68043.91671 26930.57859 1086950.099 99609.86569 477979.6401 176835.43 30544.47352 544425.5676 207083.7738 123943.398 1127967.416 83998.57278 27062.33483 54218.5592 94266.84366 449386.9621 68086.75886 69312.55191 4115.408282 318220.4653 260865.9042 58972.60466 598082.9672 175995.9642 15368.24531 253838.0351 370414.9189 120599.8132 142596.6631 45623.9244 63657.78672 10791.81094 49171.99627 13671.28054 27607.81361 11625.60169 439454.8742 45256.74719 15598.14825 12710.46244 101198.8242 312235.0293 20212.78812 82847.84462 8206.860999 68753.03518 351873.3732 879903.3479 115219.9579 55388.08108 9885.173776 40421.333 15488.61409 152448.6639 129251.7764 136491.7796 118242.17 15385.6339 328028.7661 20646.14999 289211.414 702680.3092 Sipeimine 55139.79287 115214.1143 57368.24498 22494.94512 44543.86758 38135.95572 129450.9858 142651.1126 11958.34712 61966.80301 21482.2083 69018.75262 422557.0254 1302251.082 226040.5791 365510.3641 159178.3146 28647.90812 276490.44 21393.23707 116511.899 122330.8196 497601.6394 11472.41697 294411.3392 127036.4635 71139.53556 3858577.499 5987473.449 227556.5894 145705.2821 132133.0742 2155147.292 553319.7378 28934.50842 101655.3539 391201.261 87346.01412 218593.4207 134160.3869 236693.4883 23585.61823 372267.7437 501984.8124 163217.7128 112725.8284 24642.34624 240917.1966 476104.7603 148195.9411 104223.3361 169747.8689 252685.1625 30623.31939 6526.31861 475252.8202 85357.01689 148627.3081 19087.36289 168878.625 32161.3698 94773.75274 Betaine aldehyde 6274717.402 8603.272235 34372737.72 18322.1817 845996.612 25095.56059 57893.98464 11323081.63 26569403.04 2591170.024 25502191.93 12795392.1 7292546.214 268347.4312 11439.55538 1530322.151 23275.17384 1770034.901 11179424.91 4913.001273 1672849.449 263949.927 202492.0044 184378.2239 10043863.29 24661089.46 10791321.12 6821.666483 20427562.98 19736944.53 2288039.911 245832.8533 21371180.56 2068770.126 38105.3515 181818.2036 3237472.462 64967324.14 27220392.91 205597.7774 35150101.22 20703.80067 61714893.36 101437.9456 75051.21569 619761.553 49374845.9 8011657.942 9913621.162 1321214.511 30591.91287 7276182.368 2178721.776 32940897.11 25954157.37 21635358.22 8495549.433 17645.66718 21256.43105 77009.90049 1977936.29 1527486.833 Steviol 1032217.526 38837.79197 147833.7373 31696.861 108721.7454 359680.1044 299247.9605 58526.2703 115716.8336 250490.2579 165526.7885 437193.8423 252287.7661 118979.7908 115087.2376 126965.693 160414.9295 357421.029 303101.1151 56187.92979 866399.2469 201059.9525 202533.2032 95850.43787 73748.44005 59646.40696 474319.5253 95682.82842 386512.3418 81141.81403 91949.24433 68773.91996 69643.16419 100143.3052 27116.09196 51094.54128 127394.4931 167112.4809 59573.07112 37974.29173 126775.917 80750.23771 72005.19256 70228.41733 315309.9718 312784.3714 1113726.604 241908.9909 283996.7392 70558.10679 51173.69913 254950.2889 68367.15961 76687.96864 81800.15921 98964.66569 83529.25639 88352.53106 424013.0907 159528.9506 161043.7453 58116.54531 Harmane 2396527.863 3238929.077 832294.4589 974417.4686 1114759.237 4166005.24 4241136.708 292275.1288 684702.8125 1286048.991 2278616.513 5934953.056 127990.8347 246332.9389 254992.2529 183965.8058 206069.8354 257560.029 145891.446 791784.6699 530475.3632 132799.711 77930.75676 205899.9922 314138.928 105165.7719 524117.5829 576556.2417 721173.1399 394146.0744 177977.494 116391.3462 368062.8009 2343491.155 650728.0572 8864.325288 51764.39554 1109701.107 241883.7668 579965.0076 137491.97 1792139.593 134975.367 367908.6866 299876.2833 904149.6526 262575.1407 799365.8692 13547.69824 197083.2271 86345.13447 901505.9052 581524.745 334424.1781 326927.2307 268462.6563 152298.0076 396110.2757 537471.4999 1311179.969 222961.6411 340312.2616 8,11-tridecadienoic acid, 13-(3-pentyl-2-oxiranyl)-, methyl ester, (8z,11z)- 29896.85482 29319.78803 851342.2529 73266.1575 540681.6995 228578.3404 39033.12803 454663.9988 239170.2107 211399.086 733857.2131 99122.98229 74531.12713 59863.15927 154044.3755 425019.1336 307875.0057 140948.154 41161.47277 529660.9409 396272.8704 129140.5356 451096.8489 213205.0633 80499.16383 236741.8794 423341.3351 144381.5089 223104.3579 120529.3272 102822.1265 57848.46599 117354.6231 106076.9362 37299.27575 89636.9174 207831.0053 22198.31707 91629.83217 110353.2608 130133.3752 488111.3149 67358.39768 92276.28502 238667.1578 63194.58018 450635.9402 313605.7373 173559.2422 91104.1692 37369.67898 66236.65032 24549.95051 164059.4067 101094.8536 163601.2944 80151.78925 49378.0719 387656.2086 64447.98849 456757.1712 289253.5916 L-Arginine 767815.8898 266645.2495 605416.434 237867.857 412224.3696 457430.2918 215720.7908 1518917.236 928941.377 757936.1098 258282.8727 400296.1342 197688.7013 445110.5632 722467.1025 1595932.766 1261449.676 245676.0766 1264462.329 1305525.947 537235.1159 488238.7375 930831.3714 927383.0036 809956.5423 217517.8284 479486.2581 190299.4559 231682.7216 491199.037 777069.6571 484077.2511 112604.5219 232639.0562 404613.556 891994.2135 1117495.467 611419.768 760510.5555 452059.4917 292129.8943 319963.3249 588952.7383 274836.9322 996237.0695 177855.8739 521973.4334 194501.8401 1405441.716 308220.5942 372575.48 467075.0874 737667.0194 97329.70255 279931.9577 410479.9506 1970716.747 1160917.59 463426.9468 1077417.418 228962.6396 1161587.55 Palmitoleoyl 3-carbacyclic phosphatidic acid 284313.8434 367058.2293 1111945.732 256615.6753 934521.7825 224277.1101 120762.0601 278624.7252 329779.3989 497155.0609 496980.9729 282904.2796 29173.7723 117092.251 105451.6299 289277.5996 390040.4204 56574.70741 22974.77618 2108217.561 81046.9753 142254.3073 214737.5061 114316.8372 30542.01229 426963.9398 419864.6279 231527.9731 223759.3883 30100.82015 36122.30581 22790.39205 369512.3267 37753.73723 52992.9692 41494.08072 84837.07891 74744.23055 22154.31631 207647.9141 66070.02575 581960.8875 70037.96665 208176.6664 21702.34894 37180.41317 302623.1939 735394.9832 100047.4476 40501.5746 17310.11923 22716.37488 34419.95192 151214.2958 300290.3975 102702.669 807328.5941 31731.76132 132970.347 73329.19235 374978.3841 132930.2079 Decahydrogambogic acid 4922.79616 15970.84455 16832.07391 7949.572114 7431.623443 17706.99331 3697.913868 147172.1068 20498.67253 19314.58697 69945.23319 10367.99857 349893.1211 68648.54122 86487.99374 29376.20632 94705.75989 22433.94335 75101.19162 32542.88012 5159.280014 29969.57088 9973.702353 13847.5301 319829.3235 32062.76218 32260.99491 17379.7587 28532.21062 353983.1411 1859057.012 252715.2053 16711.29553 18105.92877 13629.15973 245927.983 60831.02832 198395.6453 343493.6094 27441.0662 3090801.564 38498.95339 4273.340633 23861.27774 147011.8007 504888.2692 29851.9726 20761.34646 43582.95119 140949.7875 374922.8889 205993.4636 79041.17403 6191.342723 18468.33238 99548.41064 10420.11624 44852.78863 27566.19478 542466.0286 9796.588316 108340.1202 4-nitrosodiphenylamine 314692.3654 342599.4387 198886.3885 141461.1382 325476.8764 931956.2332 461494.0116 109060.6142 105229.615 384361.4537 113013.3215 247171.5948 75574.83901 95747.32419 158833.5943 199209.4207 298349.8396 129883.8031 60153.26316 1300149.047 63232.7645 51328.03394 88555.83365 362784.3051 103822.3941 87872.81462 81332.14734 100041.0032 259944.0018 80351.92086 93099.17939 69579.21737 219019.9854 333265.172 212291.2468 28982.66819 32008.42623 79540.16651 62525.34169 169324.7102 49793.10547 356170.6655 222050.978 217871.3824 127129.3549 131055.1129 84586.62211 466288.96 80265.92203 49674.20576 70962.10623 112857.7803 114629.6419 166526.9996 37072.95163 101218.8382 110294.499 162285.0202 136271.5899 92473.70404 123034.8499 80380.10113 Biliverdin 53829.04946 45885.55755 122869.6696 178328.7429 61049.85118 64144.54155 59546.58681 688420.2294 68617.48086 81852.9137 259189.8187 22812.10026 429495.0176 116517.3899 264949.8281 298272.2952 264410.8829 249019.3294 658029.4356 34281.1535 183069.5622 55222.17981 62487.11091 59435.58826 376510.481 113035.2194 45994.01111 179351.4533 85645.61172 842835.2639 1013921.742 272430.3461 127485.9148 18450.50918 49197.36873 440051.4279 279776.8785 2073533.854 980433.732 100170.3839 864951.1438 60768.65875 26452.84674 60383.70449 241691.4226 274857.5932 129884.618 124454.4608 308465.4891 942214.272 1154802.569 956378.0245 114036.6056 77816.37245 19879.46369 870870.7748 53292.41564 159589.2616 112639.0943 1024932.23 64388.44305 287230.5609 Daidzein 24671.88037 185635.324 31404.23401 37187.65403 25783.70032 72369.2115 201786.6932 45601.07069 12334.92749 75407.59985 151279.0695 262748.756 417527.3136 31551.13792 679756.8724 615332.7338 279308.841 11112.17128 319992.2173 73641.71963 308834.024 30022.40229 20500.247 40362.98247 836435.9718 20417.71434 78225.47885 12944.82256 98822.82977 41347.1542 5687708.819 1089319.768 45401.79432 94339.82229 107407.6471 1607259.727 720395.9364 867318.0461 31236.40416 104043.083 6291907.791 32045.05721 25860.07999 12830.23864 120829.5234 744188.8977 70560.54828 314793.9781 729747.7738 152552.5707 742465.0796 126733.5478 512739.6719 41379.54141 8968.855301 1071909.005 102922.4894 30855.22575 130739.586 18388810.43 108507.8058 75951.90457 12-ketodeoxycholic acid 3242429.706 2068609.443 26750441.68 5856636.218 38822183.59 20448755.43 4558985.101 31808798.08 17589996.68 10088487.41 24301865.98 10432977.88 2953761.104 2743337.666 18677816.45 54749389.74 11762679.92 5552800.621 608731.4944 31061676.97 25231663.23 6745977.628 34096745.75 15728173.45 1665776.795 22470422.99 31026331.73 10955640.35 22405579.73 1624543.389 5494337.629 823902.4596 4491318.644 440875.2515 2641006.959 1238064.443 25780542.48 4428248.304 1888412.764 363344.4986 7760831.705 29277052.94 4944916.168 9967530.876 271488.7881 6975104.683 26214708.41 64429024.29 14711763.18 7332517.477 215905.3696 1661064.95 833010.4779 9404511.312 5300426.612 9822216.286 8720198.658 2966774.249 23638434.75 1999830.818 21833254.16 23316764.11 Indole 8580.733118 196606.2294 11285.8638 14443.33446 11768.4573 20538.12741 11389.3181 2744.273625 4346332.5 23058.87454 4178.925398 8535.004117 17984.97631 19397.84409 32328.83093 88332.0413 47624.96885 7191.880258 27749.185 8709.074175 4576.257665 2143.60251 7928.564511 3324.977994 35571.82851 2851105.422 23860.70068 25996.36556 10584.26471 24605.22459 32978.2537 1519.128696 4982.454713 19741.86589 7100.986519 290867.0263 6024.460659 5951687.731 5728.145657 6138703.223 10605.57845 9006.654646 10180556.1 6791.849153 8797.884176 7266.076786 9896.982328 14761.6987 9818.698292 30092.60485 53173.9975 25836.27004 13680.12128 5802729.231 2624357.615 2788426.786 2287717.035 27935.97703 24115.61437 14685.57486 907894.7896 7608.344175 Lavandulol 32866.52444 49032.10994 120981.8722 63246.01619 53489.16362 93564.77504 17526.82516 23688.39144 88152.16327 76837.53206 104406.3599 35443.61041 31148.15906 65843.48526 55447.29194 113305.8629 246632.5609 55657.86653 27012.50227 122380.4555 51020.70627 64813.85944 53534.67268 49672.75066 72735.91819 2174562.915 27869.82133 20837.79413 148404.3012 74539.03542 182233.4422 113180.5379 727035.7132 20712.79403 53115.35159 39213.37684 62626.12418 93398.65328 92674.79427 57318.88095 43461.3895 24129.05029 1128949.51 83635.28056 70254.83693 107599.2044 1278181.83 230313.5893 72315.5612 19160.49963 101847.1485 11296.63477 92656.77752 3719733.899 2361119.565 1340159.859 2013277.45 13651.78159 15445.0475 117587.9388 1263177.35 71088.02532 2-mohpda [dmed-fahfa] 4675.868892 32039.87589 60246.77032 23625.48725 4865.717096 4739.017379 35143.41165 27257.67781 30143.49016 63891.04439 21267.78694 8668.447818 28948.80453 4781.079978 33645.47481 4451.096898 5139.621385 400617.0131 5291.849251 12351.16043 756639.4768 283765.8695 125459.0751 59774.33029 1786.691753 10750.85718 28783.87243 10918.18026 5482.193306 1699.239204 4604.856336 2106.864261 4968.286863 13910.68426 13068.95263 4261.288864 15579.75294 8639.568773 2913.301192 5275.953811 20161.90138 4339.025827 3121.462296 46695.20347 53324.65316 85148.81929 21775.27057 35315.07141 8316.247646 55630.22095 165625.409 41247.88075 15142.08993 39268.12899 37358.96966 7355.356862 12363.73666 3917.280628 84029.3916 15952.09258 37476.0248 14188.15113 3-ethylphenol 38746.26002 66104.59945 2072169.903 997323.4171 1160511.916 48660.66261 79580.5761 34855.1538 14436.89849 750802.9621 37043.59204 44745.92152 157177.312 47232.66809 296340.3972 1601426.909 105920.2175 26695.62271 333073.3819 86604.16756 151952.7426 101207.5927 99817.7828 17166.81681 43593.82825 23657.76981 83736.09694 113986.3653 342470.2308 70223.19742 120893.2542 108582.7592 364646.7274 83045.45088 38360.64427 46895.94781 224236.7116 47921.89483 65098.57418 86755.55471 68381.76203 50351.9971 119784.9829 133482.439 35419.42954 131943.5576 46166.41267 59495.33361 14303.41278 217707.9682 38017.81076 43174.19136 84219.32055 60723.8958 83667.66176 216921.1606 161415.9536 66177.16868 30402.8973 105355.3835 55684.35772 128528.992 Urobilin 203961.16 506662.1862 200384.4039 18244658.93 273198.6583 30811601.9 687102.3457 5269640.374 321403.864 1593153.213 1177793.85 130217.226 24838811.18 74648414.05 48431922.51 24837661.73 82687582.85 43787267.88 82110617.62 5033485.265 4028647.375 8551658.699 27411674.5 209032.0053 15929853.25 9864024.719 358357.9136 4449240.177 1048225.228 25959594.25 4848370.674 397984.1901 1309762.563 185778.7187 296465.7973 626096.4852 34569833.67 5195628.53 12058758.11 176802.0011 532785.3659 12576295.77 107465.6696 1614489.766 50376439.19 65554167.53 1631619.527 980989.051 41644210.65 32014605.07 2678097.983 41529167.35 22315826.15 919215.22 120103.6329 23989807.34 303794.2814 79932045.3 5682866.868 15261952.62 3175218.649 29189609.27 1-octadecyl lysophosphatidic acid 40168.68498 27666.99001 56927.47002 28172.94434 65194.44705 110444.1259 54613.07775 37845.92371 114238.1721 89121.95184 68156.48324 60977.0795 67657.0647 72257.74893 66627.13321 78516.32181 71629.09649 23745.76401 35118.8278 79318.00131 404524.7907 397649.4279 948537.8857 433804.9157 60019.34732 57013.71416 105487.3785 80252.29191 73857.68068 68936.04713 38276.48612 28088.30828 70405.37604 49336.81029 59595.8191 27067.45641 26704.71569 93259.87539 56849.0312 104567.9387 38208.61741 34389.72581 62361.91343 73321.61473 23751.15251 35616.7417 89482.04473 62771.55413 60512.43697 48215.24151 29146.28717 39896.23212 50611.63615 73334.61106 51476.68245 48154.59508 56554.1686 34600.50741 52966.46508 44798.54984 78003.70944 59264.70294 N-acetyl-d-lactosamine 62510.9739 40237.95403 254270.8015 38738.31802 72346.85557 12025.15814 66361.81298 35489.44564 60949.07624 36185.17736 469201.278 42950.32304 227638.7409 138256.6171 77027.85677 111121.5499 79951.70801 114091.8659 293869.4761 12127.63212 593114.8596 100946.1389 78707.29042 150618.1332 209212.3516 339883.2961 23406.57667 35414.41753 13876.1738 355627.1182 2773633.918 922214.9284 22758.77958 374070.12 84426.61347 685840.5268 139254.5756 12210573.83 579825.4596 17576.29216 3169251.162 11466.78667 30643.09464 26441.53033 96612.52025 131298.4945 77108.60362 34119.02472 356378.9096 726230.4601 654458.3986 463381.9678 146324.5558 32973.95999 78981.33635 2639409.911 96717.48108 89317.16381 61576.32415 2967614.616 21839.00055 48377.32641 1-(1z-hexadecenyl)-sn-glycero-3-phosphocholine 16464.3405 334820.922 170746.3854 48310.63078 191558.6111 202698.4884 54269.03476 20275.54859 24775.31014 140781.289 121851.5706 21478.74249 92129.53221 178090.965 232538.651 65051.10713 81807.50055 46191.96554 31101.74227 84319.43593 17497.33676 10116.41236 22210.60248 9945.255451 8343.147286 31209.7631 39897.44691 285427.3214 64645.12353 799561.1781 82188.2214 133341.6031 30917.23969 2429458.558 68018.72703 116166.2333 35362.06579 120369.6399 3999516.108 19339.5598 49937.60671 64352.92236 81410.47835 139407.1285 83019.18333 108640.9882 73384.23303 78441.08383 14134.67102 176602.7574 166648.7336 261066.6252 89133.60068 16090.1786 19685.4144 250574.1389 20468.77878 84599.33319 38372.5794 96816.78343 33581.52815 50503.62253 Coclaurine 51134.64024 68793.95317 204467.7906 37023.41759 566040.1589 135106.1724 170253.6456 45503.58655 50028.15644 82729.29069 50451.12906 18821.05416 79138.53005 115251.9871 100646.0789 247417.1842 652379.6897 54640.83581 174001.3911 199527.8082 77297.65661 246961.5166 63750.98655 64428.73439 121691.9121 38202.58631 146660.1584 65797.03313 140951.0099 478108.9825 52163.93252 6474130.015 55087.68655 100059.1406 28329.43538 17060563.19 5242861.441 83176.05307 162355.8004 43517.05854 54334.28867 114157.1478 33694.76644 349190.0118 83318.11413 84346.39513 69350.52348 126428.9501 80065.4174 645183.3625 90472.47798 90615.97252 66082.73601 59036.95281 14805.65179 73208.67586 253584.8475 1027451.345 64568.43906 72220.83647 65967.35128 465740.568 L-pyroglutamic acid 14603.17739 95945.71895 64094.67358 8811.883903 115981.2915 6676.166111 29009.83794 6649.551905 118475.6077 49686.69971 53379.33633 14102.29518 923.0194936 60399.63574 2512.555551 80417.65501 61306.26332 2879.399384 26169.56159 115464.1987 33027.24531 30558.39175 2431.77303 56894.95981 32078.69951 3587.816539 28023.01002 30645.97214 153749.4527 111958.4349 33108.30814 4573178.255 135058.2528 12473.38421 11978.37271 4789841.712 45029.40468 56235.73508 73940.05803 18522.9585 34924.40553 16057290.21 91073.87353 162386.0592 30845.40962 39164.79202 90964.04521 8035.730138 32410.65427 31436.80268 18695.07121 29847.67335 24665.80747 99586.82271 6857.278947 4563.512658 98024.07727 25262.39497 41475.14625 56254.75853 128139.6372 114970.4319 18.beta.-glycyrrhetinic acid 79754.6281 90448.26706 168399.3762 168909.4765 355359.8582 281638.1475 1361084.03 112285.3362 80485.50499 232662.0088 240917.014 205477.4446 40192.22293 260026.5496 162506.8965 62229.77869 438940.7608 45866.34846 35700.73742 1497649.985 215040.4245 14498.72121 82972.19409 44018.39587 128212.8588 48101.64096 266816.6097 113154.5888 443400.9141 129896.3101 28876.16347 62910.2161 135334.6443 96215.55396 50350.28657 122087.5508 106227.9948 30492.7391 46975.75663 98402.79935 29880.06816 202003.0303 33699.34433 143342.3988 34394.78646 39781.72029 47329.66376 127349.512 80833.72655 44176.70115 109252.161 92853.31608 537631.8414 43530.44726 50397.73311 105133.1208 98652.83459 156163.2743 215567.041 422380.8964 197961.2722 29932.5196 L-pipecolic acid 272562.9253 34386.84422 45051.79962 48109.57365 324497.1488 672827.9789 865480.0036 144923.8804 362609.0068 507487.4839 125192.6039 1064003.591 906287.9159 179305.975 52390.05556 126188.442 66740.11377 32492.93168 26107.08772 327260.8896 62004.78319 55145.7514 338591.3063 166427.7673 23999.4869 20480.30479 80402.38572 39955.84783 358366.8352 366345.047 101087.6329 9184078.682 322027.0646 2921361.272 600043.9266 8217878.331 78595.59723 112557.0003 224670.8479 923838.4755 23982.24621 33635493.38 206974.4539 186392.2324 21458.48365 30042.59896 227736.51 119835.0184 29508.79673 24983.19994 19567.24927 37717.22616 30541.64782 242201.4259 749070.5257 54245.05102 135054.3191 39990.07813 50213.88953 56142.85527 276827.2755 436367.0324 Glu-His 131261.4808 6659.334039 34508.38909 26695.72068 15728.97833 167168.6156 65371.56747 46984.13577 51901.99204 20469.3285 44050.53955 86954.27689 236559.3486 19358.20924 202880.2991 896217.4734 34373.42006 64604.80392 71094.12202 265592.0108 71651.52851 23981.58493 42168.77537 21928.54658 81588.30487 31941.17265 201295.3562 73730.44268 14224.59609 18967.5931 2291060.281 511965.4034 24629.40863 22725.56112 51013.3949 644589.9075 63295.67543 158040.8732 168185.5745 10248.77743 2737622.493 80543.57386 50172.49023 120407.4661 156182.5553 841085.3992 44494.50726 80006.3347 84802.72279 71429.90513 1168463.814 30127.08063 19820.8826 14978.99456 11095.01528 583338.8954 14499.98585 138017.9321 22644.81278 594949.2344 40624.44364 23104.24673 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name C17-sphinganine Methyl (1-(cyclohexylmethyl)-1h-indole-3-carbonyl)-l-valinate Betaine Ethyl 3-hydroxybutyrate Tetraethylene glycol N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentyl-1h-indole-3-carboxamide Isobutyric acid Dibucaine 17-trifluoromethylphenyltrinorprostaglandin f2.alpha. methyl ester Hc toxin 17-trifluoromethylphenyltrinorprostaglandin f2.alpha. isopropyl ester Mifepristone Octaethylene glycol Fenpropidin Tributyrin 2-dimethylamino-6-hydroxypurine 2,3-dinor-8-isoprostaglandin-f2.alpha. .alpha.-linolenoyl ethanolamide 2-piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-dioxopentyl)-, (1r)-1-(3-aminophenyl)-3-(3,4-dimethoxyphenyl)propyl ester, (2s)- N-acetylsphingosine 2-(2-butoxyethoxy)acetic acid Phenylacetyl-l-glutamine Palmitoyl 3-carbacyclic phosphatidic acid 1,5-naphthyridine, 2-[3-(6-methyl-2-pyridinyl)-1h-pyrazol-4-yl]- 4-cholestenone Myristoyl-l-carnitine Trigonelline Carbofuran phenol-3-ketone Clorgyline Guaiacol methyl ether Hypoxanthine Cys-Trp-Arg Glycerophosphocholine Nicotinate Lappaconitine Linoleoyl ethanolamide 1,2-dipentadecanoyl-sn-glycero-3-phosphoethanolamine 4.alpha.-hydroxystanozolol 2-aminobenzamide Cyclohexylamine 1-stearoyl-2-hydroxy-sn-glycero-3-phosphocholine 2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol Benzamide 2-mohma [dmed-fahfa] 7,8-didehydroastaxanthin Arcaine Creatinine S-methyl-5'-thioadenosine Linoleoylcarnitine Pyridoxal L-palmitoylcarnitine Asp-Arg Oleoyl-l-carnitine Beta-octylglucoside Metformin Cytidine (4r)-4-((5s,7r,9s,10s,13r,14s,17r)-7-hydroxy-10,13-dimethyl-3-oxohexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoic acid Sipeimine Betaine aldehyde Steviol Harmane 8,11-tridecadienoic acid, 13-(3-pentyl-2-oxiranyl)-, methyl ester, (8z,11z)- L-Arginine Palmitoleoyl 3-carbacyclic phosphatidic acid Decahydrogambogic acid 4-nitrosodiphenylamine Biliverdin Daidzein 12-ketodeoxycholic acid Indole Lavandulol 2-mohpda [dmed-fahfa] 3-ethylphenol Urobilin 1-octadecyl lysophosphatidic acid N-acetyl-d-lactosamine 1-(1z-hexadecenyl)-sn-glycero-3-phosphocholine Coclaurine L-pyroglutamic acid 18.beta.-glycyrrhetinic acid L-pipecolic acid Glu-His METABOLITES_END #END