{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003028","ANALYSIS_ID":"AN004965","VERSION":"1","CREATED_ON":"January 2, 2024, 11:58 am"},

"PROJECT":{"PROJECT_TITLE":"Chronic stress dampens Lactobacillus johnsonii-mediated tumor suppression to enhance colorectal cancer progression","PROJECT_SUMMARY":"Colorectal cancer (CRC) development and outcome are impacted by modifiable risk factors, including psychological stress. The gut microbiota has also been shown to be linked to psychological factors. Here, we found a marked deteriorative effect of chronic stress in multiple CRC models, including chemically-induced (AOM/DSS), genetically engineered (APCmin/+), and xenograft tumor mouse models. RNA-seq data from colon tissues revealed that expression of stemness-related genes was upregulated in the stressed CRC group by activated β-catenin signaling, which was further confirmed by results from ex vivo organoid analyses as well as in vitro and in vivo cell tumorigenicity assays. 16S rRNA sequencing of the gut microbiota showed that chronic stress disrupted gut microbes, and antibiotic treatment and fecal microbiota transplantation abolished the stimulatory effects of chronic stress on CRC progression. Stressed CRC mice displayed a significant decrease in Lactobacillus johnsonii (L. johnsonii) abundance, which was inversely correlated with tumor load. Moreover, protocatechuic acid (PCA) was identified as a beneficial metabolite produced by L. johnsonii based on metabolome sequencing and LC‒MS/MS analysis. Replenishment of L. johnsonii or PCA blocked chronic stress-induced CRC progression by decreasing β-catenin expression. Furthermore, PCA activated the cGMP pathway, and the cGMP agonist sildenafil abolished the effects of chronic stress on CRC. Altogether, these data identify that stress impacts the gut microbiome to support CRC progression.","INSTITUTE":"China Pharmaceutical University","LAST_NAME":"Cao","FIRST_NAME":"Qiuhua","ADDRESS":"No. 639 Longmian Avenue, Jiangning District, Nanjing, Jiangsu, 211198, China","EMAIL":"1520210058@cpu.edu.cn","PHONE":"+86-25-86185622"},

"STUDY":{"STUDY_TITLE":"Chronic stress dampens Lactobacillus johnsonii-mediated tumor suppression to enhance colorectal cancer progression","STUDY_SUMMARY":"Colorectal cancer (CRC) development and outcome are impacted by modifiable risk factors, including psychological stress. The gut microbiota has also been shown to be linked to psychological factors. Here, we found a marked deteriorative effect of chronic stress in multiple CRC models, including chemically-induced (AOM/DSS), genetically engineered (APCmin/+), and xenograft tumor mouse models. RNA-seq data from colon tissues revealed that expression of stemness-related genes was upregulated in the stressed CRC group by activated β-catenin signaling, which was further confirmed by results from ex vivo organoid analyses as well as in vitro and in vivo cell tumorigenicity assays. 16S rRNA sequencing of the gut microbiota showed that chronic stress disrupted gut microbes, and antibiotic treatment and fecal microbiota transplantation abolished the stimulatory effects of chronic stress on CRC progression. Stressed CRC mice displayed a significant decrease in Lactobacillus johnsonii (L. johnsonii) abundance, which was inversely correlated with tumor load. Moreover, protocatechuic acid (PCA) was identified as a beneficial metabolite produced by L. johnsonii based on metabolome sequencing and LC‒MS/MS analysis. Replenishment of L. johnsonii or PCA blocked chronic stress-induced CRC progression by decreasing β-catenin expression. Furthermore, PCA activated the cGMP pathway, and the cGMP agonist sildenafil abolished the effects of chronic stress on CRC. Altogether, these data identify that stress impacts the gut microbiome to support CRC progression.","INSTITUTE":"China Pharmaceutical University","LAST_NAME":"Cao","FIRST_NAME":"Qiuhua","ADDRESS":"No. 639 Longmian Avenue, Jiangning District, Nanjing, Jiangsu, 211198, China","EMAIL":"1520210058@cpu.edu.cn","PHONE":"+86-25-86185622"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"A28",
"Factors":{"Treatment":"AOM/DSS"},
"Additional sample data":{"Genotype":"Wild-type","RAW_FILE_NAME":"A28_N.mzML  A28_P.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"A30",
"Factors":{"Treatment":"AOM/DSS"},
"Additional sample data":{"Genotype":"Wild-type","RAW_FILE_NAME":"A30_N.mzML  A30_P.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"A40",
"Factors":{"Treatment":"AOM/DSS"},
"Additional sample data":{"Genotype":"Wild-type","RAW_FILE_NAME":"A40_N.mzML  A40_P.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"A42",
"Factors":{"Treatment":"AOM/DSS"},
"Additional sample data":{"Genotype":"Wild-type","RAW_FILE_NAME":"A42_N.mzML  A42_P.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"A49",
"Factors":{"Treatment":"AOM/DSS"},
"Additional sample data":{"Genotype":"Wild-type","RAW_FILE_NAME":"A49_N.mzML  A49_P.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"AS53",
"Factors":{"Treatment":"AOM/DSS and chronic restraint stress"},
"Additional sample data":{"Genotype":"Wild-type","RAW_FILE_NAME":"AS53_N.mzML  AS53_P.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"AS58",
"Factors":{"Treatment":"AOM/DSS and chronic restraint stress"},
"Additional sample data":{"Genotype":"Wild-type","RAW_FILE_NAME":"AS58_N.mzML  AS58_P.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"AS63",
"Factors":{"Treatment":"AOM/DSS and chronic restraint stress"},
"Additional sample data":{"Genotype":"Wild-type","RAW_FILE_NAME":"AS63_N.mzML  AS63_P.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"AS78",
"Factors":{"Treatment":"AOM/DSS and chronic restraint stress"},
"Additional sample data":{"Genotype":"Wild-type","RAW_FILE_NAME":"AS78_N.mzML  AS78_P.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"AS153",
"Factors":{"Treatment":"AOM/DSS and chronic restraint stress"},
"Additional sample data":{"Genotype":"Wild-type","RAW_FILE_NAME":"AS153_N.mzM  AS153_P.mzML"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"The colons were dissected and washed, and then flash-frozen in liquid N2","SAMPLE_TYPE":"Colon"},

"TREATMENT":{"TREATMENT_SUMMARY":"The mice were intraperitoneally injected with 10 mg/kg azoxymethane (AOM) on the first day and then given 2% dextran sulfate sodium (DSS) for one week and water for two weeks (three cycles). And the stressed mice were confined in a ventilated 50 mL tube and stressed for 3-4 h daily. All mice were dissected 8 weeks after the start of the experiment."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Sample was thawed on ice. Take 50 mg of one sample and homogenize it with 1000 μl of ice-cold methanol/water (70%, v/v). Add cold steel balls to the mixture and homogenate for at 30 Hz for 3 min. Whirl the mixture for 1 min, and then centrifuge it with 12,000 rpm at 4°C for 10 min. The collected supernatant will be used for LC-MS/MS analysis."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"SCIEX ExionLC AD","COLUMN_NAME":"Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um)","SOLVENT_A":"water (0.04% acetic acid)","SOLVENT_B":"acetonitrile (0.04% acetic acid)","FLOW_GRADIENT":"0.4 mL/min","FLOW_RATE":"95:5 V/V at 0 min, 5:95 V/V at 11.0 min, 5:95 V/V at 12.0 min, 95:5 V/V at 12.1 min, 95:5 V/V at 14.0 min","COLUMN_TEMPERATURE":"40°C"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"ABI Sciex 6500 QTrap","INSTRUMENT_TYPE":"QTRAP","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"In this study, we performed extensive targeted detection of metabolites in the colon using MRM scanning modalities. Therefore, we did not perform MS/MS data annotation. In the MRM mode, the quadrupole firstly screens the precursor ion (parent ion) of the target substance and excludes the ions corresponding to other molecular weight substances in order to preliminarily exclude the interference; the precursor ion is induced to ionize by the collision chamber and breaks off to form a lot of fragment ions, and the fragment ions are then filtered through the triple quadrupole to select a desired characteristic fragment ion and exclude the interference of non-target ions. We used MultiQuant software to analyze the data."},

"MS_METABOLITE_DATA":{
"Units":"count per second (cps)",

"Data":[{"Metabolite":"D-Homocysteine","A28":"2098100","A30":"1452000","A40":"1695700","A42":"596720","A49":"496930","AS53":"775680","AS58":"972080","AS63":"1462900","AS78":"745400","AS153":"712740"},{"Metabolite":"Glycine","A28":"2696300","A30":"3179000","A40":"3194300","A42":"2972100","A49":"3331100","AS53":"3376900","AS58":"3373200","AS63":"4164200","AS78":"4268500","AS153":"4680200"},{"Metabolite":"L-Cystine","A28":"240360","A30":"276850","A40":"645420","A42":"258330","A49":"542460","AS53":"758980","AS58":"302780","AS63":"438960","AS78":"612780","AS153":"498850"},{"Metabolite":"L-Tyrosine","A28":"152840000","A30":"133710000","A40":"159120000","A42":"157130000","A49":"134570000","AS53":"157600000","AS58":"171840000","AS63":"183020000","AS78":"116810000","AS153":"156300000"},{"Metabolite":"L-Lysine","A28":"56630000","A30":"54072000","A40":"61591000","A42":"51194000","A49":"54964000","AS53":"51723000","AS58":"52075000","AS63":"66345000","AS78":"39540000","AS153":"58510000"},{"Metabolite":"L-Ornithine","A28":"564500","A30":"525550","A40":"589560","A42":"413720","A49":"505400","AS53":"866270","AS58":"602140","AS63":"815490","AS78":"470390","AS153":"830980"},{"Metabolite":"L-Alanine","A28":"55715000","A30":"52863000","A40":"62198000","A42":"59159000","A49":"58370000","AS53":"58519000","AS58":"55151000","AS63":"58201000","AS78":"67461000","AS153":"61027000"},{"Metabolite":"L-Citrulline","A28":"6167400","A30":"5292500","A40":"7805000","A42":"5256400","A49":"3783200","AS53":"9794300","AS58":"7370500","AS63":"6501900","AS78":"8079100","AS153":"8624300"},{"Metabolite":"L-Histidine","A28":"39315000","A30":"31855000","A40":"41751000","A42":"42212000","A49":"40439000","AS53":"39013000","AS58":"40261000","AS63":"51549000","AS78":"37593000","AS153":"46421000"},{"Metabolite":"L-Methionine","A28":"34720000","A30":"27780000","A40":"34117000","A42":"36859000","A49":"32103000","AS53":"35143000","AS58":"38219000","AS63":"36572000","AS78":"25389000","AS153":"32937000"},{"Metabolite":"L-Phenylalanine","A28":"409010000","A30":"385380000","A40":"395590000","A42":"402300000","A49":"400720000","AS53":"385400000","AS58":"396870000","AS63":"409580000","AS78":"360940000","AS153":"395610000"},{"Metabolite":"L-Proline","A28":"73105000","A30":"67853000","A40":"74658000","A42":"93490000","A49":"59095000","AS53":"74119000","AS58":"81396000","AS63":"86673000","AS78":"69363000","AS153":"72148000"},{"Metabolite":"L-Pyroglutamic Acid","A28":"7538500","A30":"10082000","A40":"8658800","A42":"9467700","A49":"10020000","AS53":"9313100","AS58":"9875400","AS63":"9144300","AS78":"9342900","AS153":"10603000"},{"Metabolite":"L-Tryptophan","A28":"47947000","A30":"43410000","A40":"45698000","A42":"45802000","A49":"32568000","AS53":"32549000","AS58":"42550000","AS63":"50177000","AS78":"24058000","AS153":"32543000"},{"Metabolite":"L-Valine","A28":"117210000","A30":"111340000","A40":"130990000","A42":"126840000","A49":"107450000","AS53":"126840000","AS58":"136930000","AS63":"154000000","AS78":"91283000","AS153":"125470000"},{"Metabolite":"(5-L-Glutamyl)-L-Amino Acid","A28":"157930","A30":"235740","A40":"323030","A42":"262740","A49":"169620","AS53":"403840","AS58":"318940","AS63":"369130","AS78":"185430","AS153":"259360"},{"Metabolite":"Cysteamine","A28":"12284","A30":"18321","A40":"10912","A42":"14292","A49":"22924","AS53":"21138","AS58":"19605","AS63":"10441","AS78":"12703","AS153":"26482"},{"Metabolite":"3-Chloro-L-Tyrosine","A28":"46731","A30":"43853","A40":"47787","A42":"51804","A49":"56123","AS53":"54711","AS58":"45411","AS63":"51035","AS78":"50845","AS153":"53380"},{"Metabolite":"3-Hydroxy-3-Methylpentane-1,5-Dioic Acid","A28":"945950","A30":"1536700","A40":"1023700","A42":"967370","A49":"895570","AS53":"705600","AS58":"1402100","AS63":"715770","AS78":"534430","AS153":"850100"},{"Metabolite":"3-N-Methyl-L-Histidine","A28":"249250","A30":"257030","A40":"280890","A42":"361510","A49":"1224000","AS53":"455720","AS58":"339740","AS63":"328520","AS78":"357150","AS153":"409990"},{"Metabolite":"5-Hydroxy-L-Tryptophan","A28":"788330","A30":"771070","A40":"847970","A42":"760870","A49":"729020","AS53":"690280","AS58":"802750","AS63":"876860","AS78":"607160","AS153":"681790"},{"Metabolite":"5-Oxoproline","A28":"1582800","A30":"1908600","A40":"1433700","A42":"2109700","A49":"1351400","AS53":"2032500","AS58":"2143400","AS63":"2058100","AS78":"972140","AS153":"2451200"},{"Metabolite":"Asp-Phe","A28":"30033","A30":"33770","A40":"43656","A42":"21305","A49":"25506","AS53":"47824","AS58":"37885","AS63":"40018","AS78":"23977","AS153":"23240"},{"Metabolite":"Beta-Alanine","A28":"496110","A30":"486230","A40":"520650","A42":"594730","A49":"568730","AS53":"535720","AS58":"494010","AS63":"514110","AS78":"529640","AS153":"528590"},{"Metabolite":"Betaine","A28":"49940000","A30":"61380000","A40":"53329000","A42":"68826000","A49":"59368000","AS53":"58696000","AS58":"61018000","AS63":"80675000","AS78":"81475000","AS153":"99334000"},{"Metabolite":"Glutathione Oxidized","A28":"27561000","A30":"25398000","A40":"32211000","A42":"41798000","A49":"20869000","AS53":"22529000","AS58":"30324000","AS63":"32935000","AS78":"10158000","AS153":"13640000"},{"Metabolite":"Glutathione Reducedform","A28":"135190000","A30":"154990000","A40":"104250000","A42":"144600000","A49":"110160000","AS53":"101400000","AS58":"150360000","AS63":"106160000","AS78":"96933000","AS153":"112320000"},{"Metabolite":"Histamine","A28":"325380","A30":"727010","A40":"171770","A42":"63267","A49":"6092200","AS53":"4045900","AS58":"445060","AS63":"328520","AS78":"1187600","AS153":"1365600"},{"Metabolite":"L-Cystathionine","A28":"2701400","A30":"3339100","A40":"4110200","A42":"4426100","A49":"3630700","AS53":"4097500","AS58":"4156900","AS63":"4578200","AS78":"7054500","AS153":"5091100"},{"Metabolite":"L-Cysteine","A28":"891200","A30":"1303100","A40":"1154600","A42":"871100","A49":"1025800","AS53":"1186900","AS58":"1167400","AS63":"1102400","AS78":"1204900","AS153":"1452000"},{"Metabolite":"L-Dopa","A28":"45472","A30":"63205","A40":"56519","A42":"31892","A49":"67849","AS53":"46038","AS58":"54924","AS63":"60571","AS78":"49871","AS153":"27335"},{"Metabolite":"L-Glutamine","A28":"57360000","A30":"52094000","A40":"59099000","A42":"50449000","A49":"51458000","AS53":"52723000","AS58":"50457000","AS63":"62670000","AS78":"44420000","AS153":"53488000"},{"Metabolite":"L-Homocitrulline","A28":"149120","A30":"91852","A40":"234430","A42":"110630","A49":"48547","AS53":"130980","AS58":"161380","AS63":"119430","AS78":"75463","AS153":"68502"},{"Metabolite":"L-Homocystine","A28":"475080","A30":"532540","A40":"363030","A42":"216390","A49":"260400","AS53":"143010","AS58":"260290","AS63":"165830","AS78":"164060","AS153":"184240"},{"Metabolite":"L-Saccharopine","A28":"256300","A30":"286530","A40":"244440","A42":"167080","A49":"305880","AS53":"250510","AS58":"193120","AS63":"211090","AS78":"236020","AS153":"300210"},{"Metabolite":"L-Theanine","A28":"7747800","A30":"6660500","A40":"9216500","A42":"7434700","A49":"8585200","AS53":"8589500","AS58":"7478600","AS63":"8692200","AS78":"8957500","AS153":"8588800"},{"Metabolite":"Methionine Sulfoxide","A28":"35049","A30":"43340","A40":"59292","A42":"54735","A49":"42750","AS53":"67393","AS58":"50024","AS63":"42041","AS78":"85923","AS153":"66648"},{"Metabolite":"N,N-Dimethylglycine","A28":"16996000","A30":"17382000","A40":"18899000","A42":"17607000","A49":"15455000","AS53":"17546000","AS58":"17690000","AS63":"20673000","AS78":"16366000","AS153":"17599000"},{"Metabolite":"N6-Acetyl-L-Lysine","A28":"1844600","A30":"1168300","A40":"2362900","A42":"1262100","A49":"836930","AS53":"1184300","AS58":"1354000","AS63":"1626700","AS78":"682970","AS153":"969370"},{"Metabolite":"N-Acetylaspartate","A28":"1316100","A30":"1310700","A40":"891920","A42":"1033600","A49":"1139900","AS53":"1205000","AS58":"929750","AS63":"1237400","AS78":"840060","AS153":"870320"},{"Metabolite":"N-Acetylcysteine","A28":"26059","A30":"12070","A40":"23166","A42":"18490","A49":"18666","AS53":"29196","AS58":"20216","AS63":"23079","AS78":"15706","AS153":"14555"},{"Metabolite":"N-Acetylmannosamine","A28":"300050","A30":"556500","A40":"319310","A42":"303060","A49":"209930","AS53":"429100","AS58":"589960","AS63":"480910","AS78":"375780","AS153":"363200"},{"Metabolite":"N-Acetylputrescine","A28":"22498","A30":"19839","A40":"32649","A42":"21727","A49":"28379","AS53":"20419","AS58":"27857","AS63":"32442","AS78":"17439","AS153":"19541"},{"Metabolite":"N-Glycyl-L-Leucine","A28":"7866000","A30":"10030000","A40":"6737800","A42":"3948900","A49":"3477600","AS53":"2319500","AS58":"6902100","AS63":"3360600","AS78":"2415900","AS153":"2667600"},{"Metabolite":"N-Propionylglycine","A28":"30193","A30":"21858","A40":"31257","A42":"34797","A49":"20297","AS53":"34211","AS58":"25535","AS63":"27464","AS78":"26409","AS153":"28423"},{"Metabolite":"Nα-Acetyl-L-Arginine","A28":"97798","A30":"159060","A40":"92852","A42":"99527","A49":"30727","AS53":"101230","AS58":"128010","AS63":"63554","AS78":"77324","AS153":"63365"},{"Metabolite":"Phenylacetyl-L-Glutamine","A28":"18552","A30":"14662","A40":"19854","A42":"28750","A49":"9749.5","AS53":"29453","AS58":"8802.7","AS63":"37770","AS78":"8040.3","AS153":"20195"},{"Metabolite":"S-Adenosyl-L-Methionine","A28":"128070","A30":"96917","A40":"123430","A42":"123760","A49":"139530","AS53":"47237","AS58":"65593","AS63":"157320","AS78":"80173","AS153":"120640"},{"Metabolite":"Serotonin","A28":"3678900","A30":"2735800","A40":"959280","A42":"2197500","A49":"1858500","AS53":"842050","AS58":"5822900","AS63":"2825400","AS78":"424050","AS153":"2094600"},{"Metabolite":"Trimethylamine N-Oxide","A28":"1578100","A30":"1125300","A40":"1067300","A42":"1010800","A49":"2131200","AS53":"1327500","AS58":"992670","AS63":"740040","AS78":"961920","AS153":"1137300"},{"Metabolite":"Urea","A28":"19489000","A30":"13928000","A40":"11925000","A42":"11881000","A49":"13432000","AS53":"6695300","AS58":"10521000","AS63":"12634000","AS78":"9105200","AS153":"21173000"},{"Metabolite":"L-Alanyl-L-Lysine","A28":"134230","A30":"197040","A40":"210390","A42":"288690","A49":"329290","AS53":"451420","AS58":"334330","AS63":"324430","AS78":"280680","AS153":"437220"},{"Metabolite":"N-Acetylhistamine","A28":"10013000","A30":"12528000","A40":"11619000","A42":"11735000","A49":"10318000","AS53":"12707000","AS58":"12152000","AS63":"13858000","AS78":"10244000","AS153":"9503300"},{"Metabolite":"P-Coumaraldehyde","A28":"686850","A30":"434670","A40":"2180200","A42":"597970","A49":"120460","AS53":"68895","AS58":"1277800","AS63":"191400","AS78":"432560","AS153":"85733"},{"Metabolite":"Syringic Acid","A28":"13011","A30":"11637","A40":"13847","A42":"23928","A49":"13058","AS53":"9706.3","AS58":"15747","AS63":"36348","AS78":"10937","AS153":"49439"},{"Metabolite":"Methyl Benzoate","A28":"34580","A30":"28833","A40":"32590","A42":"9","A49":"9","AS53":"62571","AS58":"52323","AS63":"14720","AS78":"62991","AS153":"9"},{"Metabolite":"(3,4-Dimethoxyphenyl) Acetic Acid","A28":"17045","A30":"14237","A40":"14288","A42":"16864","A49":"15641","AS53":"14969","AS58":"12360","AS63":"18595","AS78":"13661","AS153":"14182"},{"Metabolite":"Phthalic Acid","A28":"13618000","A30":"11116000","A40":"12221000","A42":"13637000","A49":"11602000","AS53":"11272000","AS58":"12244000","AS63":"14356000","AS78":"8646100","AS153":"12225000"},{"Metabolite":"1,4-Dihydro-1-Methyl-4-Oxo-3-Pyridinecarboxamide","A28":"2686500","A30":"2889800","A40":"2087100","A42":"2582900","A49":"2398700","AS53":"3564200","AS58":"3961900","AS63":"3542300","AS78":"3124400","AS153":"3906300"},{"Metabolite":"2-Picolinic Acid","A28":"2805600","A30":"11368000","A40":"2589400","A42":"1080300","A49":"3064200","AS53":"4235700","AS58":"3840400","AS63":"6016700","AS78":"2047100","AS153":"444050"},{"Metabolite":"4-Pyridoxic Acid","A28":"378370","A30":"683040","A40":"391190","A42":"354790","A49":"116500","AS53":"488350","AS58":"400780","AS63":"461780","AS78":"425100","AS153":"137020"},{"Metabolite":"6-Hydroxynicotinic Acid","A28":"20587","A30":"41142","A40":"30551","A42":"39999","A49":"28352","AS53":"23719","AS58":"36222","AS63":"32408","AS78":"22126","AS153":"15796"},{"Metabolite":"Acetylcholine Chloride","A28":"2149200","A30":"1568200","A40":"1639800","A42":"2400700","A49":"1475100","AS53":"965580","AS58":"1694900","AS63":"537330","AS78":"1781200","AS153":"919410"},{"Metabolite":"Choline","A28":"2680400","A30":"2497000","A40":"2771800","A42":"2648100","A49":"2576600","AS53":"2712600","AS58":"2681000","AS63":"3143500","AS78":"2472500","AS153":"2681800"},{"Metabolite":"1,5-Diaminopentane","A28":"23694","A30":"36819","A40":"30845","A42":"33501","A49":"28594","AS53":"40822","AS58":"43225","AS63":"37074","AS78":"41527","AS153":"38620"},{"Metabolite":"Putrescine","A28":"715090","A30":"749020","A40":"634000","A42":"696020","A49":"563070","AS53":"724710","AS58":"795550","AS63":"811330","AS78":"852820","AS153":"668400"},{"Metabolite":"Diethanolamine","A28":"1215100","A30":"1129800","A40":"1853400","A42":"1241300","A49":"1791700","AS53":"1734600","AS58":"1519600","AS63":"1665400","AS78":"2548000","AS153":"2177300"},{"Metabolite":"Phenethylamine","A28":"832070","A30":"678470","A40":"702380","A42":"843310","A49":"683170","AS53":"666030","AS58":"737460","AS63":"829900","AS78":"505800","AS153":"698380"},{"Metabolite":"Protocatechuic Acid","A28":"14582","A30":"13893","A40":"23238","A42":"13097","A49":"12730","AS53":"9","AS58":"11859","AS63":"5590.5","AS78":"9","AS153":"7556.1"},{"Metabolite":"Biotin","A28":"79794","A30":"240760","A40":"139290","A42":"161500","A49":"84490","AS53":"160160","AS58":"176700","AS63":"215040","AS78":"123850","AS153":"140010"},{"Metabolite":"1-Methyladenine","A28":"20030","A30":"32960","A40":"16853","A42":"15293","A49":"5883","AS53":"19009","AS58":"30828","AS63":"28938","AS78":"14282","AS153":"11119"},{"Metabolite":"1-Methylhistidine","A28":"749510","A30":"651260","A40":"699330","A42":"801840","A49":"769520","AS53":"465250","AS58":"503410","AS63":"650370","AS78":"517510","AS153":"866810"},{"Metabolite":"1-Methylxanthine","A28":"35551","A30":"57458","A40":"114950","A42":"14671","A49":"60399","AS53":"49921","AS58":"70044","AS63":"73665","AS78":"64232","AS153":"41879"},{"Metabolite":"2''-Deoxyadenosine-5''-Monophosphate","A28":"650150","A30":"870190","A40":"824950","A42":"1085300","A49":"419850","AS53":"633180","AS58":"917840","AS63":"1385000","AS78":"511250","AS153":"736110"},{"Metabolite":"2''-Deoxyinosine","A28":"252330","A30":"250800","A40":"199640","A42":"251910","A49":"197610","AS53":"210350","AS58":"341710","AS63":"496740","AS78":"305240","AS153":"233000"},{"Metabolite":"2-Hydroxy-6-Aminopurine","A28":"24750000","A30":"25636000","A40":"16268000","A42":"25475000","A49":"15967000","AS53":"15170000","AS58":"26642000","AS63":"20555000","AS78":"9018200","AS153":"20137000"},{"Metabolite":"3''-Aenylic Acid","A28":"30755000","A30":"75638000","A40":"35990000","A42":"37254000","A49":"25618000","AS53":"19453000","AS58":"91571000","AS63":"51676000","AS78":"47106000","AS153":"40117000"},{"Metabolite":"5,6-Dihydro-5-Methyluracil","A28":"1265900","A30":"1153300","A40":"1189800","A42":"1389500","A49":"1123400","AS53":"1225900","AS58":"1242200","AS63":"1230600","AS78":"855590","AS153":"1347800"},{"Metabolite":"5-Methylcytosine","A28":"89434","A30":"68730","A40":"69174","A42":"111100","A49":"62418","AS53":"129090","AS58":"100030","AS63":"122340","AS78":"90789","AS153":"102760"},{"Metabolite":"5-Methyluridine","A28":"252330","A30":"359720","A40":"290650","A42":"375990","A49":"239870","AS53":"374600","AS58":"474280","AS63":"440200","AS78":"384420","AS153":"588200"},{"Metabolite":"7-Methylxanthine","A28":"27320","A30":"24566","A40":"25245","A42":"33998","A49":"23705","AS53":"22499","AS58":"30933","AS63":"44767","AS78":"15951","AS153":"26247"},{"Metabolite":"8-Hydroxyguanosine","A28":"7273","A30":"20885","A40":"28761","A42":"14514","A49":"9","AS53":"15583","AS58":"22067","AS63":"11393","AS78":"37810","AS153":"9"},{"Metabolite":"Adenine","A28":"6607900","A30":"10335000","A40":"7278100","A42":"5321100","A49":"4788500","AS53":"10253000","AS58":"10100000","AS63":"11835000","AS78":"6978100","AS153":"5876800"},{"Metabolite":"Adenosine","A28":"84279000","A30":"95083000","A40":"63803000","A42":"91537000","A49":"71324000","AS53":"85389000","AS58":"110920000","AS63":"105540000","AS78":"64243000","AS153":"91400000"},{"Metabolite":"Cytidine","A28":"5237800","A30":"3400700","A40":"3091600","A42":"7074800","A49":"4771500","AS53":"5159100","AS58":"4814200","AS63":"4760100","AS78":"3860400","AS153":"6118300"},{"Metabolite":"Cytidine-5-Monophosphate","A28":"11454000","A30":"12070000","A40":"16253000","A42":"11559000","A49":"8788500","AS53":"9253000","AS58":"14001000","AS63":"12365000","AS78":"8384300","AS153":"12309000"},{"Metabolite":"Cytosine","A28":"1381400","A30":"902940","A40":"1654500","A42":"1598300","A49":"1319100","AS53":"1309500","AS58":"790210","AS63":"1268300","AS78":"1278100","AS153":"910280"},{"Metabolite":"Deoxyguanosine","A28":"193960","A30":"187090","A40":"179760","A42":"207260","A49":"151630","AS53":"252780","AS58":"145750","AS63":"297390","AS78":"125930","AS153":"172390"},{"Metabolite":"Guanosine","A28":"35709000","A30":"40255000","A40":"23916000","A42":"39008000","A49":"25427000","AS53":"22461000","AS58":"44208000","AS63":"31943000","AS78":"16256000","AS153":"35834000"},{"Metabolite":"Guanosine 3'',5''-Cyclic Monophosphate","A28":"9","A30":"24858","A40":"41722","A42":"37100","A49":"9","AS53":"9","AS58":"9","AS63":"9","AS78":"9","AS153":"9"},{"Metabolite":"Guanosine Monophosphate","A28":"3936200","A30":"11417000","A40":"4368200","A42":"5926800","A49":"3129200","AS53":"1994000","AS58":"10655000","AS63":"6357000","AS78":"4107500","AS153":"5617800"},{"Metabolite":"Nicotinic Acid Adenine Dinucleotide","A28":"162300","A30":"280240","A40":"306090","A42":"180440","A49":"140240","AS53":"263870","AS58":"286660","AS63":"302270","AS78":"106010","AS153":"134110"},{"Metabolite":"Purine","A28":"1284600","A30":"1057000","A40":"1146300","A42":"1295800","A49":"1059200","AS53":"1004300","AS58":"1097500","AS63":"1281100","AS78":"758880","AS153":"1042300"},{"Metabolite":"Pyrimidinefreebase","A28":"165680","A30":"123850","A40":"121460","A42":"137040","A49":"134480","AS53":"107120","AS58":"123710","AS63":"121000","AS78":"110000","AS153":"109180"},{"Metabolite":"Thymidine","A28":"100190","A30":"104290","A40":"101430","A42":"143730","A49":"83381","AS53":"154950","AS58":"291610","AS63":"148150","AS78":"62916","AS153":"151650"},{"Metabolite":"Thymine","A28":"2129900","A30":"3277200","A40":"2897900","A42":"3027800","A49":"2500400","AS53":"2542300","AS58":"2621500","AS63":"3959500","AS78":"3486600","AS153":"3714300"},{"Metabolite":"Β-Nicotinamide Mononucleotide","A28":"133010","A30":"145440","A40":"107810","A42":"34819","A49":"54217","AS53":"95337","AS58":"72463","AS63":"40400","AS78":"51240","AS153":"35887"},{"Metabolite":"3,3'',5-Triiodo-L-Thyronine","A28":"68080","A30":"23130","A40":"33044","A42":"16643","A49":"11117","AS53":"24668","AS58":"24061","AS63":"20543","AS78":"6842.9","AS153":"7321.8"},{"Metabolite":"L-Thyroxine","A28":"20906","A30":"25342","A40":"34047","A42":"15950","A49":"13690","AS53":"14717","AS58":"13539","AS63":"17238","AS78":"10176","AS153":"15837"},{"Metabolite":"Metanephrine","A28":"18130","A30":"13745","A40":"19225","A42":"19427","A49":"16931","AS53":"23326","AS58":"27445","AS63":"20176","AS78":"16532","AS153":"20524"},{"Metabolite":"Norepinephrine","A28":"923230","A30":"1151100","A40":"1034200","A42":"1055800","A49":"986260","AS53":"1073700","AS58":"1043000","AS63":"966980","AS78":"930020","AS153":"823170"},{"Metabolite":"L-Carnitine","A28":"20149000","A30":"19043000","A40":"19460000","A42":"21897000","A49":"21438000","AS53":"17605000","AS58":"17314000","AS63":"20895000","AS78":"22543000","AS153":"26842000"},{"Metabolite":"Melatonin","A28":"2786800","A30":"3354000","A40":"2534200","A42":"2557500","A49":"1357300","AS53":"2556800","AS58":"4969500","AS63":"2542000","AS78":"1683500","AS153":"1727000"},{"Metabolite":"N-Acetyl-5-Hydroxytryptamine","A28":"131360","A30":"139040","A40":"95015","A42":"140240","A49":"108290","AS53":"87541","AS58":"106660","AS63":"116060","AS78":"47834","AS153":"93603"},{"Metabolite":"Dl-Threitol","A28":"64473","A30":"57346","A40":"33229","A42":"59741","A49":"57193","AS53":"34735","AS58":"69629","AS63":"38832","AS78":"35654","AS153":"51769"},{"Metabolite":"D-Mannitol","A28":"290940","A30":"231120","A40":"246750","A42":"170850","A49":"187150","AS53":"227850","AS58":"171060","AS63":"196740","AS78":"190840","AS153":"217140"},{"Metabolite":"Maltose","A28":"401530","A30":"294180","A40":"301390","A42":"263480","A49":"64500","AS53":"304670","AS58":"328750","AS63":"461860","AS78":"9","AS153":"34356"},{"Metabolite":"D-Glucono-1,5-Lactone","A28":"380910","A30":"365410","A40":"384020","A42":"360890","A49":"309370","AS53":"390370","AS58":"262790","AS63":"357470","AS78":"357360","AS153":"386450"},{"Metabolite":"Gluconic Acid","A28":"101140","A30":"67932","A40":"29296","A42":"36150","A49":"28483","AS53":"95257","AS58":"31198","AS63":"36162","AS78":"94443","AS153":"84184"},{"Metabolite":"Vitamin D3","A28":"20715","A30":"14018","A40":"20794","A42":"20551","A49":"21057","AS53":"17592","AS58":"19050","AS63":"20196","AS78":"20369","AS153":"24034"},{"Metabolite":"L-Ascorbate","A28":"400520","A30":"377430","A40":"508340","A42":"389330","A49":"711950","AS53":"429150","AS58":"372360","AS63":"448120","AS78":"332940","AS153":"384670"},{"Metabolite":"Pyridoxine","A28":"26157","A30":"51912","A40":"20362","A42":"9","A49":"6619.2","AS53":"81382","AS58":"34174","AS63":"29174","AS78":"53438","AS153":"13511"},{"Metabolite":"Orotic Acid","A28":"373520","A30":"267830","A40":"367660","A42":"463330","A49":"380550","AS53":"496030","AS58":"386120","AS63":"408190","AS78":"272720","AS153":"452590"},{"Metabolite":"Nicotinamide","A28":"296350000","A30":"235090000","A40":"257910000","A42":"293850000","A49":"254330000","AS53":"239170000","AS58":"263110000","AS63":"276410000","AS78":"202540000","AS153":"243060000"},{"Metabolite":"4-Oxoretinol","A28":"10619","A30":"12087","A40":"12987","A42":"9","A49":"9","AS53":"13715","AS58":"13716","AS63":"27187","AS78":"8525.2","AS153":"7184.7"},{"Metabolite":"All-Trans-13,14-Dihydroretinol","A28":"270720","A30":"518920","A40":"907750","A42":"295800","A49":"361770","AS53":"368720","AS58":"217330","AS63":"363470","AS78":"180260","AS153":"359770"},{"Metabolite":"Nicotinuric Acid","A28":"34682","A30":"9","A40":"37991","A42":"44437","A49":"9","AS53":"9","AS58":"51027","AS63":"67055","AS78":"9","AS153":"66079"},{"Metabolite":"Riboflavin","A28":"9412900","A30":"8957300","A40":"12004000","A42":"9794400","A49":"7029000","AS53":"8656900","AS58":"7825600","AS63":"9598200","AS78":"6684900","AS153":"5924400"},{"Metabolite":"Trigonelline","A28":"727920","A30":"652680","A40":"558770","A42":"447590","A49":"448290","AS53":"593270","AS58":"686930","AS63":"418680","AS78":"789110","AS153":"394200"},{"Metabolite":"5-Hydroxyindole-3-Acetic Acid","A28":"11179000","A30":"18829000","A40":"11217000","A42":"7484400","A49":"3903500","AS53":"14309000","AS58":"10513000","AS63":"11336000","AS78":"12802000","AS153":"3344600"},{"Metabolite":"5-Hydroxytryptophol","A28":"2718700","A30":"1947200","A40":"1078000","A42":"5217600","A49":"3411300","AS53":"1625600","AS58":"1386200","AS63":"2673900","AS78":"659490","AS153":"2213500"},{"Metabolite":"Indole-3-Acetic Acid","A28":"6482200","A30":"6545000","A40":"7136600","A42":"6165300","A49":"5479000","AS53":"5587600","AS58":"6063600","AS63":"7172100","AS78":"4912500","AS153":"5647700"},{"Metabolite":"1,3-Diaminopropane","A28":"40455","A30":"41405","A40":"56797","A42":"53440","A49":"58202","AS53":"37647","AS58":"44280","AS63":"62235","AS78":"57305","AS153":"52726"},{"Metabolite":"2,6-Diaminooimelic Acid","A28":"234060","A30":"217490","A40":"331560","A42":"255410","A49":"205330","AS53":"216070","AS58":"239490","AS63":"227560","AS78":"295400","AS153":"210030"},{"Metabolite":"2-Aminoethanesulfinic Acid","A28":"876720","A30":"1005100","A40":"1059300","A42":"1676700","A49":"1102700","AS53":"788590","AS58":"1017800","AS63":"1162900","AS78":"859090","AS153":"1096400"},{"Metabolite":"4-Guanidinobutyric Acid","A28":"46591000","A30":"36437000","A40":"36021000","A42":"46726000","A49":"31247000","AS53":"24021000","AS58":"37402000","AS63":"10193000","AS78":"43317000","AS153":"18012000"},{"Metabolite":"5-Aminovaleric Acid","A28":"1114600","A30":"841220","A40":"1480800","A42":"786440","A49":"939990","AS53":"1450900","AS58":"778260","AS63":"1078200","AS78":"1106500","AS153":"605780"},{"Metabolite":"6-Aminocaproic Acid","A28":"59945000","A30":"55805000","A40":"58189000","A42":"62079000","A49":"52376000","AS53":"55473000","AS58":"62893000","AS63":"67547000","AS78":"43520000","AS153":"60721000"},{"Metabolite":"7-Methyluric Acid","A28":"1215900","A30":"1273800","A40":"1303400","A42":"1239100","A49":"1263700","AS53":"1308100","AS58":"1289000","AS63":"1198000","AS78":"1148600","AS153":"1241300"},{"Metabolite":"Chlorogenic Acid","A28":"23456","A30":"10341","A40":"18154","A42":"7483.4","A49":"3728.5","AS53":"13309","AS58":"19677","AS63":"38146","AS78":"25904","AS153":"7481.3"},{"Metabolite":"Creatinine","A28":"1742000","A30":"1504200","A40":"1215300","A42":"1343300","A49":"2156600","AS53":"1485300","AS58":"1161700","AS63":"1240700","AS78":"1403900","AS153":"1495500"},{"Metabolite":"D-2-Aminobutyric Acid","A28":"18279000","A30":"17592000","A40":"20782000","A42":"19507000","A49":"16661000","AS53":"19617000","AS58":"17610000","AS63":"19719000","AS78":"15050000","AS153":"17210000"},{"Metabolite":"Dl-2-Aminooctanoic Acid","A28":"727500","A30":"872940","A40":"499870","A42":"983600","A49":"725550","AS53":"1004900","AS58":"812820","AS63":"914890","AS78":"1025100","AS153":"1267000"},{"Metabolite":"Dodecanedioic Aicd","A28":"31304","A30":"86850","A40":"34667","A42":"54667","A49":"22085","AS53":"54444","AS58":"45351","AS63":"44553","AS78":"40097","AS153":"31025"},{"Metabolite":"D-Pipecolinic Acid","A28":"6077400","A30":"6803900","A40":"6135900","A42":"6223500","A49":"7452500","AS53":"6002600","AS58":"7611400","AS63":"6344100","AS78":"8301400","AS153":"7884600"},{"Metabolite":"Guanidineacetic Acid","A28":"1167300","A30":"950200","A40":"1746400","A42":"862900","A49":"1111800","AS53":"1725100","AS58":"943470","AS63":"1224000","AS78":"1172500","AS153":"675270"},{"Metabolite":"Hippuric Acid","A28":"1465600","A30":"1837000","A40":"3151600","A42":"3379000","A49":"1608500","AS53":"2692900","AS58":"5533400","AS63":"7779900","AS78":"2456500","AS153":"4940600"},{"Metabolite":"Homovanillic Acid","A28":"17164000","A30":"17070000","A40":"19332000","A42":"21615000","A49":"17425000","AS53":"19798000","AS58":"22689000","AS63":"24149000","AS78":"14290000","AS153":"20534000"},{"Metabolite":"Kinurenine","A28":"4655000","A30":"3316000","A40":"4113400","A42":"1438900","A49":"1137100","AS53":"1760900","AS58":"2192600","AS63":"3574100","AS78":"1721400","AS153":"1814800"},{"Metabolite":"Kynurenic Acid","A28":"141560","A30":"136250","A40":"135420","A42":"144850","A49":"103460","AS53":"105140","AS58":"121520","AS63":"145390","AS78":"74047","AS153":"104240"},{"Metabolite":"L-2-Aminobutyric Acid","A28":"18563000","A30":"17187000","A40":"20176000","A42":"19131000","A49":"16649000","AS53":"18744000","AS58":"18508000","AS63":"23290000","AS78":"15207000","AS153":"16820000"},{"Metabolite":"L-Homoserine","A28":"20333000","A30":"19443000","A40":"24623000","A42":"22700000","A49":"19428000","AS53":"23442000","AS58":"25197000","AS63":"24179000","AS78":"27352000","AS153":"27155000"},{"Metabolite":"Maleic Acid","A28":"4039300","A30":"3965000","A40":"4329300","A42":"5380500","A49":"3969100","AS53":"4136800","AS58":"4430300","AS63":"5530000","AS78":"6203300","AS153":"4866900"},{"Metabolite":"N''-Formylkynurenine","A28":"78327","A30":"55843","A40":"105780","A42":"42433","A49":"28422","AS53":"43977","AS58":"50209","AS63":"85437","AS78":"23583","AS153":"155730"},{"Metabolite":"P-Aminohippuric Acid","A28":"9","A30":"9","A40":"4773.7","A42":"5650.7","A49":"9","AS53":"9","AS58":"4590.9","AS63":"6997","AS78":"9","AS153":"5945.8"},{"Metabolite":"Sebacate","A28":"38284","A30":"42226","A40":"33287","A42":"26313","A49":"19727","AS53":"43087","AS58":"27292","AS63":"24138","AS78":"29038","AS153":"18667"},{"Metabolite":"Subericacid","A28":"76481","A30":"108330","A40":"115560","A42":"73185","A49":"61164","AS53":"102460","AS58":"71570","AS63":"69334","AS78":"72588","AS153":"63318"},{"Metabolite":"Cinnamic Acid","A28":"7687200","A30":"6365200","A40":"6635000","A42":"7562500","A49":"6407000","AS53":"6156100","AS58":"6903100","AS63":"7953700","AS78":"4764300","AS153":"6466900"},{"Metabolite":"Uric Acid","A28":"840330","A30":"998960","A40":"955920","A42":"937980","A49":"977120","AS53":"1087600","AS58":"596480","AS63":"937810","AS78":"982650","AS153":"889260"},{"Metabolite":"Lysopc 14:0","A28":"5668300","A30":"7907500","A40":"6284100","A42":"8101500","A49":"6881600","AS53":"4477700","AS58":"5639600","AS63":"8648800","AS78":"2820300","AS153":"4672700"},{"Metabolite":"Lysopc 16:0","A28":"327200000","A30":"355200000","A40":"375480000","A42":"285520000","A49":"284510000","AS53":"283400000","AS58":"386960000","AS63":"365510000","AS78":"280800000","AS153":"255890000"},{"Metabolite":"Lysopc 16:1","A28":"71640000","A30":"77651000","A40":"44965000","A42":"75816000","A49":"88222000","AS53":"48285000","AS58":"63189000","AS63":"84296000","AS78":"34034000","AS153":"57351000"},{"Metabolite":"Lysopc 18:0","A28":"391290000","A30":"456360000","A40":"473140000","A42":"280280000","A49":"285780000","AS53":"379590000","AS58":"456240000","AS63":"441700000","AS78":"350260000","AS153":"269180000"},{"Metabolite":"Lysopc 18:1","A28":"316940000","A30":"353730000","A40":"351270000","A42":"330440000","A49":"314610000","AS53":"291710000","AS58":"355620000","AS63":"385780000","AS78":"290640000","AS153":"282200000"},{"Metabolite":"Lysopc 18:2","A28":"57395000","A30":"79960000","A40":"86974000","A42":"40814000","A49":"41492000","AS53":"43136000","AS58":"74419000","AS63":"81555000","AS78":"50141000","AS153":"40335000"},{"Metabolite":"Lysopc 20:1","A28":"30501000","A30":"46769000","A40":"37269000","A42":"31535000","A49":"29387000","AS53":"24581000","AS58":"35564000","AS63":"56619000","AS78":"23352000","AS153":"25079000"},{"Metabolite":"Lysopc 20:2","A28":"24755000","A30":"36626000","A40":"39461000","A42":"18243000","A49":"18438000","AS53":"18833000","AS58":"30157000","AS63":"44650000","AS78":"18107000","AS153":"16905000"},{"Metabolite":"Methyl Nicotinate","A28":"236330","A30":"550260","A40":"164960","A42":"113340","A49":"200390","AS53":"167810","AS58":"114900","AS63":"323800","AS78":"34513","AS153":"23500"},{"Metabolite":"Urocanic Acid","A28":"153350","A30":"299760","A40":"222100","A42":"220900","A49":"664130","AS53":"281920","AS58":"238040","AS63":"448490","AS78":"121270","AS153":"141670"},{"Metabolite":"Pipecolinic Acid","A28":"4031700","A30":"4090300","A40":"5453700","A42":"5586400","A49":"6079000","AS53":"7722700","AS58":"6131000","AS63":"6884700","AS78":"6412300","AS153":"7961400"},{"Metabolite":"4-Hydroxybenzaldehyde","A28":"17519000","A30":"16118000","A40":"18709000","A42":"20755000","A49":"16476000","AS53":"18781000","AS58":"19385000","AS63":"21847000","AS78":"12114000","AS153":"19088000"},{"Metabolite":"Taurocholic Acid Sodium Salt Hydrate","A28":"710590","A30":"679860","A40":"728860","A42":"756260","A49":"634490","AS53":"648100","AS58":"584570","AS63":"705050","AS78":"668020","AS153":"649570"},{"Metabolite":"4-(Aminomethyl)-5-(Hydroxymethyl)-2-Methylpyridin-3-Ol","A28":"4703.2","A30":"17009","A40":"19411","A42":"6899.6","A49":"5223.6","AS53":"21870","AS58":"15423","AS63":"17675","AS78":"9","AS153":"11809"},{"Metabolite":"Acetaminophen Glucuronide","A28":"80842","A30":"20883","A40":"42133","A42":"29435","A49":"6941.8","AS53":"98051","AS58":"55349","AS63":"24508","AS78":"35494","AS153":"11828"},{"Metabolite":"N-Acetylglycine","A28":"78819000","A30":"112210000","A40":"82645000","A42":"99693000","A49":"90746000","AS53":"82341000","AS58":"99354000","AS63":"113810000","AS78":"123640000","AS153":"136370000"},{"Metabolite":"Cyclic Amp","A28":"1932200","A30":"2018900","A40":"2005500","A42":"1383400","A49":"960040","AS53":"1363600","AS58":"1242500","AS63":"1587600","AS78":"686720","AS153":"1077400"},{"Metabolite":"N6-Succinyl Adenosine","A28":"46069000","A30":"45390000","A40":"43506000","A42":"45329000","A49":"26419000","AS53":"31154000","AS58":"42539000","AS63":"40848000","AS78":"38059000","AS153":"34659000"},{"Metabolite":"3-Hydroxyhippuric Acid","A28":"11869","A30":"20091","A40":"58751","A42":"21430","A49":"24447","AS53":"24523","AS58":"58075","AS63":"79581","AS78":"20812","AS153":"40050"},{"Metabolite":"2-(Dimethylamino)Guanosine","A28":"510420","A30":"692730","A40":"502980","A42":"786760","A49":"555160","AS53":"768450","AS58":"457930","AS63":"855390","AS78":"478990","AS153":"799590"},{"Metabolite":"7-Methylguanine","A28":"197140000","A30":"171440000","A40":"182320000","A42":"196010000","A49":"176970000","AS53":"172780000","AS58":"184710000","AS63":"207750000","AS78":"138180000","AS153":"177800000"},{"Metabolite":"Β-Pseudouridine","A28":"97538","A30":"118390","A40":"69830","A42":"77482","A49":"61119","AS53":"76546","AS58":"65541","AS63":"89330","AS78":"53839","AS153":"93480"},{"Metabolite":"L-Sepiapterin","A28":"14177","A30":"11195","A40":"7925.1","A42":"9","A49":"9","AS53":"3407.5","AS58":"28342","AS63":"5571.9","AS78":"9","AS153":"9"},{"Metabolite":"H-Homoarg-Oh","A28":"238530","A30":"207700","A40":"234260","A42":"255390","A49":"252490","AS53":"240160","AS58":"227590","AS63":"203070","AS78":"169580","AS153":"269250"},{"Metabolite":"Pyridoxine 5''-Phosphate","A28":"1168300","A30":"3166600","A40":"1451000","A42":"741050","A49":"343340","AS53":"2601100","AS58":"2102800","AS63":"3341200","AS78":"666340","AS153":"399830"},{"Metabolite":"4-Hydroxyretinoic Acid","A28":"66969","A30":"71398","A40":"30387","A42":"9","A49":"14102","AS53":"21693","AS58":"9","AS63":"14577","AS78":"9","AS153":"9"},{"Metabolite":"L-Pipecolic Acid","A28":"1699800","A30":"2000500","A40":"1518300","A42":"2614000","A49":"1577900","AS53":"2250200","AS58":"2504300","AS63":"2225200","AS78":"1040000","AS153":"2503600"},{"Metabolite":"5''-Deoxy-5''-(Methylthio) Adenosine","A28":"10158000","A30":"10058000","A40":"8418500","A42":"10297000","A49":"9193900","AS53":"3607300","AS58":"7096900","AS63":"11925000","AS78":"5715700","AS153":"9443900"},{"Metabolite":"Guanine","A28":"28613000","A30":"32074000","A40":"22029000","A42":"29943000","A49":"21162000","AS53":"18248000","AS58":"32237000","AS63":"25441000","AS78":"14073000","AS153":"28176000"},{"Metabolite":"Deoxycytidine","A28":"164010","A30":"160370","A40":"210660","A42":"296430","A49":"301520","AS53":"579110","AS58":"9","AS63":"664170","AS78":"417800","AS153":"434210"},{"Metabolite":"3-Aminoisobutanoic Acid","A28":"1245000","A30":"1068900","A40":"1152300","A42":"1207300","A49":"1294400","AS53":"1148300","AS58":"993210","AS63":"1114900","AS78":"922490","AS153":"1022700"},{"Metabolite":"11-Cis-Retinol","A28":"10983","A30":"13099","A40":"14753","A42":"8015.2","A49":"10206","AS53":"9339.2","AS58":"7509.1","AS63":"9463.9","AS78":"6970.3","AS153":"8346.3"},{"Metabolite":"Cys-Gly","A28":"147410","A30":"207310","A40":"132940","A42":"101840","A49":"138710","AS53":"114940","AS58":"202380","AS63":"161720","AS78":"131380","AS153":"153200"},{"Metabolite":"Trans-Citridic Acid","A28":"19554","A30":"19054","A40":"38766","A42":"32361","A49":"35774","AS53":"50898","AS58":"26117","AS63":"20307","AS78":"29074","AS153":"30839"},{"Metabolite":"6-Phosphogluconic Acid Trisodium Salt","A28":"7608100","A30":"6526400","A40":"6505500","A42":"8885100","A49":"7274800","AS53":"6975700","AS58":"8246000","AS63":"6187400","AS78":"7460500","AS153":"6493300"},{"Metabolite":"Phosphoric Acid","A28":"161820000","A30":"222390000","A40":"208320000","A42":"194770000","A49":"197480000","AS53":"181530000","AS58":"182290000","AS63":"195790000","AS78":"133450000","AS153":"169600000"},{"Metabolite":"Xanthurenic Acid","A28":"16770","A30":"58452","A40":"29477","A42":"22213","A49":"10828","AS53":"64883","AS58":"47982","AS63":"38493","AS78":"52360","AS153":"12150"},{"Metabolite":"Cholesterol","A28":"513630","A30":"725200","A40":"698310","A42":"1012800","A49":"676440","AS53":"819750","AS58":"660880","AS63":"649990","AS78":"863150","AS153":"1108900"},{"Metabolite":"Punicic Acid","A28":"116210","A30":"120800","A40":"127510","A42":"109100","A49":"82387","AS53":"82159","AS58":"107120","AS63":"110900","AS78":"78782","AS153":"80804"},{"Metabolite":"2-Aminoadipic Acid","A28":"3971200","A30":"5522100","A40":"5088400","A42":"6316600","A49":"3676600","AS53":"4091200","AS58":"7054300","AS63":"4505300","AS78":"5554800","AS153":"4886000"},{"Metabolite":"Hordenine","A28":"609050","A30":"555550","A40":"576520","A42":"589330","A49":"556330","AS53":"526340","AS58":"586970","AS63":"661860","AS78":"402230","AS153":"558240"},{"Metabolite":"Lysopc 17:0","A28":"45305000","A30":"58851000","A40":"59538000","A42":"25216000","A49":"27573000","AS53":"26953000","AS58":"49546000","AS63":"60245000","AS78":"28123000","AS153":"16616000"},{"Metabolite":"6-Methylmercaptopurine","A28":"61020000","A30":"50928000","A40":"54399000","A42":"59777000","A49":"52255000","AS53":"51368000","AS58":"55955000","AS63":"62558000","AS78":"38778000","AS153":"53811000"},{"Metabolite":"Ergothioneine","A28":"1161000","A30":"1082900","A40":"554170","A42":"1118300","A49":"1273700","AS53":"1177800","AS58":"507350","AS63":"1027800","AS78":"453390","AS153":"705050"},{"Metabolite":"Methoxyindoleacetic Acid","A28":"2078900","A30":"1881800","A40":"1848800","A42":"2040800","A49":"1338400","AS53":"1380600","AS58":"1793200","AS63":"2085700","AS78":"1068700","AS153":"1395200"},{"Metabolite":"Sn-Glycero-3-Phosphocholine","A28":"184480000","A30":"206690000","A40":"217840000","A42":"135890000","A49":"178740000","AS53":"102550000","AS58":"182010000","AS63":"151270000","AS78":"137950000","AS153":"98252000"},{"Metabolite":"10-Formyl-Thf","A28":"460170","A30":"471210","A40":"515200","A42":"492920","A49":"304080","AS53":"195550","AS58":"406710","AS63":"350070","AS78":"193070","AS153":"258030"},{"Metabolite":"P-Aminobenzoate","A28":"22325","A30":"15675","A40":"25399","A42":"15112","A49":"8230.8","AS53":"9","AS58":"24017","AS63":"13696","AS78":"27083","AS153":"17127"},{"Metabolite":"Indole","A28":"3938700","A30":"3864800","A40":"3939400","A42":"3683900","A49":"3223800","AS53":"3274000","AS58":"3697100","AS63":"4345400","AS78":"2775000","AS153":"3271900"},{"Metabolite":"Isoquinoline","A28":"157370","A30":"112160","A40":"268000","A42":"112750","A49":"18450","AS53":"21360","AS58":"53071","AS63":"46274","AS78":"297810","AS153":"45298"},{"Metabolite":"Piperidine","A28":"11121000","A30":"10295000","A40":"10605000","A42":"11414000","A49":"10779000","AS53":"10014000","AS58":"11332000","AS63":"12596000","AS78":"7939900","AS153":"11812000"},{"Metabolite":"5-Aminolevulinate","A28":"1860900","A30":"1775900","A40":"1787900","A42":"1937000","A49":"1834300","AS53":"1700300","AS58":"1869000","AS63":"2215500","AS78":"1465900","AS153":"1991100"},{"Metabolite":"2-Methylguanosine","A28":"1341500","A30":"1427600","A40":"1384200","A42":"1505800","A49":"1269500","AS53":"1549400","AS58":"1265800","AS63":"1971500","AS78":"838610","AS153":"1297000"},{"Metabolite":"N-Hydroxy Tryptamine","A28":"3273600","A30":"2463800","A40":"865970","A42":"1854500","A49":"1473300","AS53":"771060","AS58":"5466400","AS63":"2466200","AS78":"422220","AS153":"1707000"},{"Metabolite":"Lysopc 15:0","A28":"64634000","A30":"72449000","A40":"62427000","A42":"44815000","A49":"52908000","AS53":"30561000","AS58":"59971000","AS63":"73014000","AS78":"35070000","AS153":"26476000"},{"Metabolite":"Lysope 18:2 (2N Isomer)","A28":"28587","A30":"27649","A40":"40174","A42":"24188","A49":"23019","AS53":"28721","AS58":"39594","AS63":"38832","AS78":"15376","AS153":"15106"},{"Metabolite":"Lysopc 18:3","A28":"4252800","A30":"5161800","A40":"5374900","A42":"3830800","A49":"3210300","AS53":"4163100","AS58":"5504100","AS63":"6557300","AS78":"2961200","AS153":"2993700"},{"Metabolite":"2-Hydroxycinnamic acid","A28":"42784000","A30":"42548000","A40":"51207000","A42":"52133000","A49":"44031000","AS53":"48981000","AS58":"55628000","AS63":"58801000","AS78":"36373000","AS153":"51909000"},{"Metabolite":"DL-o-Tyrosine","A28":"66847000","A30":"64043000","A40":"75963000","A42":"81112000","A49":"63732000","AS53":"69170000","AS58":"82619000","AS63":"89205000","AS78":"56627000","AS153":"78230000"},{"Metabolite":"trans-3-Indoleacrylic acid","A28":"11915000","A30":"11001000","A40":"11323000","A42":"10296000","A49":"7403900","AS53":"7702200","AS58":"9583100","AS63":"12316000","AS78":"5767700","AS153":"7489200"},{"Metabolite":"Acetyl-L-carnitine","A28":"179980000","A30":"170550000","A40":"134920000","A42":"175680000","A49":"151200000","AS53":"132690000","AS58":"160900000","AS63":"158250000","AS78":"83723000","AS153":"170970000"},{"Metabolite":"Jasmonic acid","A28":"613790","A30":"634300","A40":"745780","A42":"647090","A49":"567860","AS53":"677120","AS58":"730660","AS63":"715090","AS78":"637370","AS153":"617550"},{"Metabolite":"Hexadecanamide","A28":"3018700","A30":"3595200","A40":"2393100","A42":"4063700","A49":"6630500","AS53":"9348200","AS58":"4153500","AS63":"3787500","AS78":"11811000","AS153":"6463300"},{"Metabolite":"Thiamine","A28":"1470800","A30":"1601800","A40":"1603800","A42":"1195800","A49":"1662000","AS53":"1077500","AS58":"1282200","AS63":"1475000","AS78":"1330300","AS153":"1043600"},{"Metabolite":"DL-Stachydrine","A28":"945820","A30":"920500","A40":"636710","A42":"1198200","A49":"601840","AS53":"698400","AS58":"781700","AS63":"635560","AS78":"583870","AS153":"909920"},{"Metabolite":"L-Norleucine","A28":"8433800","A30":"7543300","A40":"7743400","A42":"7692600","A49":"6613000","AS53":"6457100","AS58":"7547000","AS63":"8881400","AS78":"5195500","AS153":"6498300"},{"Metabolite":"DL-Carnitine","A28":"81759000","A30":"78196000","A40":"75707000","A42":"84278000","A49":"87580000","AS53":"70226000","AS58":"71227000","AS63":"76993000","AS78":"63224000","AS153":"86468000"},{"Metabolite":"N-Acetyl-L-alanine","A28":"203580000","A30":"194660000","A40":"160600000","A42":"191660000","A49":"216760000","AS53":"175530000","AS58":"165060000","AS63":"188730000","AS78":"169570000","AS153":"187000000"},{"Metabolite":"Indole-3-acetamide","A28":"174010","A30":"137530","A40":"191450","A42":"56669","A49":"61739","AS53":"82844","AS58":"150070","AS63":"191360","AS78":"87557","AS153":"100410"},{"Metabolite":"15-deoxy-δ-12,14-PGJ2","A28":"80208","A30":"77967","A40":"73059","A42":"95333","A49":"59733","AS53":"53921","AS58":"78271","AS63":"75578","AS78":"87597","AS153":"71787"},{"Metabolite":"Triethyl phosphate","A28":"186940","A30":"215050","A40":"245970","A42":"227790","A49":"257470","AS53":"199610","AS58":"206860","AS63":"257150","AS78":"245760","AS153":"278550"},{"Metabolite":"PAF C-16","A28":"51804000","A30":"71428000","A40":"75348000","A42":"34281000","A49":"29939000","AS53":"67951000","AS58":"70339000","AS63":"96534000","AS78":"40407000","AS153":"33223000"},{"Metabolite":"7,8-dihydro-L-Biopterin","A28":"192510","A30":"358050","A40":"168990","A42":"343500","A49":"202620","AS53":"121430","AS58":"254210","AS63":"402950","AS78":"81170","AS153":"148950"},{"Metabolite":"δ-Valerolactam","A28":"481100","A30":"259930","A40":"437530","A42":"573240","A49":"424910","AS53":"478070","AS58":"394580","AS63":"380510","AS78":"274750","AS153":"257940"},{"Metabolite":"N-METHYL (-)EPHEDRINE","A28":"573050","A30":"276970","A40":"447350","A42":"525610","A49":"32995","AS53":"271120","AS58":"392270","AS63":"209330","AS78":"216300","AS153":"127460"},{"Metabolite":"alantolactone","A28":"7289.1","A30":"16322","A40":"12704","A42":"9736.9","A49":"9","AS53":"9380.1","AS58":"7111.7","AS63":"4977.9","AS78":"10268","AS153":"9"},{"Metabolite":"Androsterone","A28":"100050","A30":"95679","A40":"99978","A42":"113720","A49":"66808","AS53":"90136","AS58":"107860","AS63":"110990","AS78":"83136","AS153":"91960"},{"Metabolite":"3-(2-Hydroxyphenyl)propionic acid","A28":"39268","A30":"34947","A40":"37649","A42":"37825","A49":"42649","AS53":"53294","AS58":"40224","AS63":"56956","AS78":"36119","AS153":"30253"},{"Metabolite":"Epiandrosterone","A28":"31149","A30":"17800","A40":"26223","A42":"38999","A49":"18941","AS53":"23657","AS58":"35092","AS63":"32069","AS78":"23409","AS153":"31618"},{"Metabolite":"Oleamide","A28":"9851200","A30":"9727800","A40":"7763000","A42":"12652000","A49":"18222000","AS53":"21769000","AS58":"12810000","AS63":"11808000","AS78":"22263000","AS153":"13792000"},{"Metabolite":"5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide","A28":"647040","A30":"638520","A40":"275280","A42":"1023900","A49":"843790","AS53":"872310","AS58":"378700","AS63":"902240","AS78":"242730","AS153":"559010"},{"Metabolite":"Isobutyryl carnitine","A28":"99080000","A30":"107840000","A40":"96162000","A42":"93252000","A49":"48323000","AS53":"93241000","AS58":"160550000","AS63":"98962000","AS78":"62635000","AS153":"61656000"},{"Metabolite":"alpha-Cadinene","A28":"87104","A30":"83699","A40":"77485","A42":"65486","A49":"71176","AS53":"90322","AS58":"88429","AS63":"103040","AS78":"48956","AS153":"88574"},{"Metabolite":"gamma-Muurolene","A28":"268440","A30":"256650","A40":"253270","A42":"245920","A49":"165740","AS53":"163830","AS58":"231100","AS63":"289330","AS78":"131300","AS153":"177930"},{"Metabolite":"Asp-Phe methyl ester","A28":"3016900","A30":"5237900","A40":"3451200","A42":"3242700","A49":"2603000","AS53":"7787600","AS58":"5510500","AS63":"5121500","AS78":"2082600","AS153":"2805800"},{"Metabolite":"Pterine","A28":"135600","A30":"204680","A40":"187240","A42":"226640","A49":"170460","AS53":"243610","AS58":"250430","AS63":"325460","AS78":"130100","AS153":"245750"},{"Metabolite":"Stearidonic Acid","A28":"23638","A30":"42631","A40":"68741","A42":"32481","A49":"51006","AS53":"61561","AS58":"46044","AS63":"26083","AS78":"34514","AS153":"33712"},{"Metabolite":"N-Alpha-acetyllysine","A28":"1816600","A30":"1105400","A40":"1782700","A42":"1189300","A49":"691250","AS53":"908380","AS58":"1432400","AS63":"1259900","AS78":"791830","AS153":"853380"},{"Metabolite":"Ritalinic acid","A28":"211370","A30":"238530","A40":"211000","A42":"316570","A49":"340570","AS53":"142260","AS58":"154280","AS63":"209680","AS78":"173940","AS153":"195380"},{"Metabolite":"p-Mentha-1,3,8-triene","A28":"2150500","A30":"3809300","A40":"6144600","A42":"2963800","A49":"5117100","AS53":"6113500","AS58":"3575000","AS63":"2519600","AS78":"3011500","AS153":"3005000"},{"Metabolite":"Spermidine","A28":"6038900","A30":"5024800","A40":"5079900","A42":"9128700","A49":"5951800","AS53":"6392000","AS58":"9181600","AS63":"8649000","AS78":"4649200","AS153":"11709000"},{"Metabolite":"1-(4-Methoxyphenyl)-2-propanone","A28":"41970","A30":"93656","A40":"151190","A42":"9","A49":"9","AS53":"72755","AS58":"44495","AS63":"21280","AS78":"167260","AS153":"9"},{"Metabolite":"Cuminaldehyde","A28":"7436600","A30":"6015100","A40":"6505900","A42":"7516300","A49":"6114700","AS53":"6037600","AS58":"6481900","AS63":"7649400","AS78":"4403100","AS153":"6403900"},{"Metabolite":"2-(3,4-dimethoxyphenyl)ethanamine","A28":"53836000","A30":"49561000","A40":"62626000","A42":"64562000","A49":"49334000","AS53":"60074000","AS58":"66826000","AS63":"72861000","AS78":"44974000","AS153":"62589000"},{"Metabolite":"Anatabine","A28":"28491","A30":"33071","A40":"33330","A42":"26475","A49":"27140","AS53":"29832","AS58":"31844","AS63":"40393","AS78":"22565","AS153":"32214"},{"Metabolite":"N-Methyl-a-aminoisobutyric acid","A28":"122380000","A30":"118620000","A40":"119900000","A42":"128280000","A49":"99003000","AS53":"115970000","AS58":"139660000","AS63":"141180000","AS78":"96292000","AS153":"126860000"},{"Metabolite":"2-Methylbutyroylcarnitine","A28":"14782000","A30":"8945500","A40":"11011000","A42":"17512000","A49":"11321000","AS53":"19744000","AS58":"15136000","AS63":"17539000","AS78":"8629200","AS153":"21721000"},{"Metabolite":"Isonicotinic acid","A28":"132450000","A30":"97575000","A40":"106160000","A42":"124880000","A49":"104560000","AS53":"96921000","AS58":"108590000","AS63":"112160000","AS78":"78972000","AS153":"100940000"},{"Metabolite":"Dimethyl fumarate","A28":"24292000","A30":"19018000","A40":"21109000","A42":"19416000","A49":"18707000","AS53":"17905000","AS58":"22113000","AS63":"21091000","AS78":"14750000","AS153":"17385000"},{"Metabolite":"beta-Cubebene","A28":"116010","A30":"70434","A40":"54844","A42":"69058","A49":"79027","AS53":"110830","AS58":"94229","AS63":"81315","AS78":"63446","AS153":"86033"},{"Metabolite":"L-phenylalanyl-L-proline","A28":"494980","A30":"758870","A40":"650850","A42":"352500","A49":"256380","AS53":"373930","AS58":"679060","AS63":"540130","AS78":"198970","AS153":"292110"},{"Metabolite":"LysoPE(16:1(9Z)/0:0)","A28":"220080","A30":"271150","A40":"140680","A42":"272860","A49":"409500","AS53":"166690","AS58":"188720","AS63":"341410","AS78":"102050","AS153":"190360"},{"Metabolite":"3-Hydroxy-DL-kynurenine","A28":"48965","A30":"40075","A40":"53690","A42":"51836","A49":"32878","AS53":"45084","AS58":"43945","AS63":"59519","AS78":"45107","AS153":"46420"},{"Metabolite":"Ethylbenzene","A28":"178090","A30":"127840","A40":"176160","A42":"141910","A49":"115950","AS53":"173240","AS58":"233800","AS63":"347670","AS78":"159800","AS153":"176420"},{"Metabolite":"Diphenyl ether","A28":"123170","A30":"97271","A40":"104810","A42":"71298","A49":"80250","AS53":"100580","AS58":"88837","AS63":"87140","AS78":"101710","AS153":"97638"},{"Metabolite":"Methyl cinnamate","A28":"21267","A30":"31187","A40":"34145","A42":"26463","A49":"25562","AS53":"22870","AS58":"13392","AS63":"32914","AS78":"34113","AS153":"22298"},{"Metabolite":"Benzylcinnamate","A28":"51262","A30":"50546","A40":"44148","A42":"49560","A49":"47655","AS53":"36787","AS58":"58819","AS63":"60378","AS78":"50666","AS153":"50580"},{"Metabolite":"Isoamyl butyrate","A28":"4588200","A30":"3650400","A40":"6894200","A42":"4659400","A49":"4655100","AS53":"3656900","AS58":"4274600","AS63":"5134400","AS78":"3850600","AS153":"4191000"},{"Metabolite":"Ethyl?Heptanoate","A28":"6220400","A30":"5283500","A40":"6795700","A42":"3881500","A49":"5831800","AS53":"3206000","AS58":"4187500","AS63":"4412700","AS78":"3886300","AS153":"5144800"},{"Metabolite":"Ethyl dodecanoate","A28":"2312700","A30":"2674500","A40":"2713400","A42":"2603700","A49":"2715900","AS53":"2631000","AS58":"2557200","AS63":"2707600","AS78":"2692600","AS153":"2655000"},{"Metabolite":"1,4-Xylene","A28":"622610","A30":"461200","A40":"504610","A42":"541450","A49":"576290","AS53":"449990","AS58":"514980","AS63":"413750","AS78":"534720","AS153":"559800"},{"Metabolite":"1,2-Dichloroethane","A28":"6177600","A30":"5669300","A40":"5671700","A42":"5922300","A49":"5767900","AS53":"5275300","AS58":"5406400","AS63":"5024100","AS78":"4809800","AS153":"4579200"},{"Metabolite":"L- tyrosine methyl ester","A28":"669020","A30":"698030","A40":"473860","A42":"669640","A49":"580050","AS53":"319430","AS58":"690270","AS63":"531870","AS78":"361310","AS153":"579680"},{"Metabolite":"m-Xylene","A28":"578130","A30":"429250","A40":"580270","A42":"576590","A49":"523390","AS53":"500220","AS58":"484090","AS63":"471120","AS78":"519570","AS153":"515270"},{"Metabolite":"m-Cresol","A28":"679400","A30":"557730","A40":"660760","A42":"611870","A49":"750880","AS53":"523580","AS58":"589500","AS63":"551440","AS78":"529300","AS153":"492990"},{"Metabolite":"2,6-Dimethylpyridine","A28":"71904","A30":"65233","A40":"70862","A42":"62836","A49":"73019","AS53":"65861","AS58":"69372","AS63":"64029","AS78":"49082","AS153":"49966"},{"Metabolite":"2,6-Dimethylpyrazine","A28":"965420","A30":"664600","A40":"865970","A42":"727640","A49":"1032600","AS53":"866150","AS58":"692100","AS63":"827450","AS78":"707380","AS153":"778440"},{"Metabolite":"Cyclohexanone","A28":"4897900","A30":"4011900","A40":"5491900","A42":"4702500","A49":"3869400","AS53":"3191800","AS58":"3869000","AS63":"4208200","AS78":"3160000","AS153":"4282100"},{"Metabolite":"Butyl 3-methylbutanoate","A28":"723340","A30":"615240","A40":"682980","A42":"626650","A49":"689990","AS53":"580980","AS58":"613650","AS63":"699670","AS78":"501750","AS153":"600080"},{"Metabolite":"Butylamine","A28":"1019700","A30":"998970","A40":"1208100","A42":"1147100","A49":"874430","AS53":"1123200","AS58":"1237000","AS63":"1147000","AS78":"1354500","AS153":"1432000"},{"Metabolite":"2,2,2-Trichloroethanol","A28":"3666900","A30":"3079900","A40":"2736800","A42":"2654400","A49":"3485500","AS53":"2800000","AS58":"2790400","AS63":"3760900","AS78":"2704000","AS153":"2894100"},{"Metabolite":"Methylcysteine","A28":"20116000","A30":"18741000","A40":"24028000","A42":"23043000","A49":"18250000","AS53":"22647000","AS58":"24829000","AS63":"26626000","AS78":"15377000","AS153":"23204000"},{"Metabolite":"2-Acetylfuran","A28":"15133000","A30":"16621000","A40":"19447000","A42":"18152000","A49":"19180000","AS53":"12921000","AS58":"16368000","AS63":"16734000","AS78":"15063000","AS153":"14426000"},{"Metabolite":"2-Acetyl-5-methylfuran","A28":"25669","A30":"61769","A40":"59708","A42":"36075","A49":"27005","AS53":"29829","AS58":"21724","AS63":"19958","AS78":"41269","AS153":"23515"},{"Metabolite":"Benzophenone","A28":"35363","A30":"36816","A40":"42362","A42":"36367","A49":"35790","AS53":"33322","AS58":"36671","AS63":"36394","AS78":"39502","AS153":"36454"},{"Metabolite":"TranexamicAcid","A28":"17946","A30":"14477","A40":"37477","A42":"45801","A49":"18181","AS53":"23079","AS58":"16436","AS63":"27928","AS78":"14851","AS153":"89241"},{"Metabolite":"Triethylamine","A28":"680270","A30":"496200","A40":"595760","A42":"635980","A49":"486270","AS53":"523510","AS58":"537670","AS63":"569040","AS78":"446490","AS153":"639800"},{"Metabolite":"Octadecanamide","A28":"45103","A30":"49344","A40":"47386","A42":"46967","A49":"52269","AS53":"47987","AS58":"45261","AS63":"47250","AS78":"49836","AS153":"44878"},{"Metabolite":"2,6-Di-tert-butyl-4-methylphenol","A28":"877640","A30":"561010","A40":"659490","A42":"512080","A49":"454110","AS53":"434460","AS58":"590520","AS63":"519970","AS78":"421070","AS153":"536100"},{"Metabolite":"Methyl?beta-D-galactopyranoside","A28":"725200","A30":"857190","A40":"1089100","A42":"778200","A49":"983160","AS53":"1062000","AS58":"868470","AS63":"924120","AS78":"1200100","AS153":"1143700"},{"Metabolite":"(E)-2-Octen-1-ol","A28":"2108300","A30":"1954100","A40":"2177900","A42":"1791800","A49":"2006000","AS53":"1820300","AS58":"1518700","AS63":"1388900","AS78":"1347500","AS153":"1564400"},{"Metabolite":"Atrazine","A28":"5580.9","A30":"4462.7","A40":"7014.9","A42":"8964.7","A49":"6437.9","AS53":"7444","AS58":"8532.9","AS63":"7336.9","AS78":"5800.2","AS153":"7062.4"},{"Metabolite":"Naproxen","A28":"12457","A30":"5964","A40":"5819","A42":"3190","A49":"9","AS53":"6372.8","AS58":"5694","AS63":"6245.4","AS78":"9","AS153":"9"},{"Metabolite":"2-Pentadecanone","A28":"151470","A30":"145160","A40":"152190","A42":"154340","A49":"140370","AS53":"149460","AS58":"142300","AS63":"158630","AS78":"147320","AS153":"161430"},{"Metabolite":"Methyl dihydrojasmonate","A28":"1061000","A30":"980230","A40":"1056900","A42":"1005500","A49":"996560","AS53":"999980","AS58":"959480","AS63":"1052900","AS78":"914140","AS153":"1048600"},{"Metabolite":"Hexyl butyrate","A28":"209290","A30":"200290","A40":"195040","A42":"220440","A49":"224750","AS53":"219300","AS58":"209560","AS63":"217890","AS78":"190900","AS153":"214300"},{"Metabolite":"3-Hydroxy-4,5-dimethyl-2(5H)-furanone","A28":"1839100","A30":"1587800","A40":"1825400","A42":"1595800","A49":"1609200","AS53":"1515100","AS58":"1367900","AS63":"1416100","AS78":"1349100","AS153":"1371000"},{"Metabolite":"cis-Citral","A28":"76690","A30":"88203","A40":"147530","A42":"169180","A49":"175920","AS53":"99530","AS58":"108230","AS63":"106120","AS78":"95715","AS153":"157870"},{"Metabolite":"Methylisobutyrate","A28":"1074200","A30":"1146000","A40":"1224400","A42":"1267200","A49":"1130000","AS53":"1425900","AS58":"1179600","AS63":"1333000","AS78":"1258300","AS153":"1150300"},{"Metabolite":"N-Nitrosodiethylamine","A28":"626450","A30":"755650","A40":"827070","A42":"858410","A49":"828050","AS53":"863890","AS58":"804880","AS63":"935690","AS78":"831090","AS153":"860010"},{"Metabolite":"3,5-Dinitrosalicylic acid","A28":"719020","A30":"753050","A40":"741380","A42":"773510","A49":"710650","AS53":"749730","AS58":"743500","AS63":"773550","AS78":"694150","AS153":"760900"},{"Metabolite":"3-Methylthiophene","A28":"5839300","A30":"5171500","A40":"6686400","A42":"6086800","A49":"5663200","AS53":"3981100","AS58":"5414200","AS63":"5114300","AS78":"4620500","AS153":"4646200"},{"Metabolite":"Barbituric acid","A28":"2267800","A30":"1938100","A40":"2267100","A42":"1835500","A49":"2008600","AS53":"1842800","AS58":"1546100","AS63":"1652500","AS78":"1547500","AS153":"1571900"},{"Metabolite":"2,4-Dichlorophenoxyacetic acid","A28":"529950","A30":"509600","A40":"523570","A42":"511450","A49":"487900","AS53":"531440","AS58":"539100","AS63":"491860","AS78":"500250","AS153":"530610"},{"Metabolite":"o-Xylene","A28":"576370","A30":"458650","A40":"570120","A42":"565400","A49":"565270","AS53":"480370","AS58":"577470","AS63":"475140","AS78":"532320","AS153":"550040"},{"Metabolite":"1,3-diisopropylbenzene","A28":"207290","A30":"207690","A40":"192510","A42":"196610","A49":"185210","AS53":"222860","AS58":"208250","AS63":"224040","AS78":"208480","AS153":"210570"},{"Metabolite":"Hexyl?Acetate","A28":"27051","A30":"22667","A40":"26089","A42":"18230","A49":"17426","AS53":"19874","AS58":"17105","AS63":"15178","AS78":"20920","AS153":"20457"},{"Metabolite":"Farnesol","A28":"10809","A30":"11162","A40":"12910","A42":"13100","A49":"10403","AS53":"12341","AS58":"9800.5","AS63":"10177","AS78":"8916","AS153":"9817.4"},{"Metabolite":"2,4,6-Trimethylphenol","A28":"61211","A30":"58650","A40":"67880","A42":"64199","A49":"66256","AS53":"66570","AS58":"61540","AS63":"68467","AS78":"63559","AS153":"68142"},{"Metabolite":"Terpinolene","A28":"59750","A30":"54778","A40":"61333","A42":"56974","A49":"66409","AS53":"62678","AS58":"59669","AS63":"65384","AS78":"62810","AS153":"66696"},{"Metabolite":"alpha-Terpinene","A28":"528880","A30":"502330","A40":"490810","A42":"505540","A49":"498170","AS53":"485000","AS58":"486130","AS63":"505510","AS78":"447260","AS153":"475630"},{"Metabolite":"3-(Methylthio)propionaldehyde","A28":"821140","A30":"815630","A40":"830930","A42":"936430","A49":"841940","AS53":"738700","AS58":"851170","AS63":"748200","AS78":"843300","AS153":"738400"},{"Metabolite":"DL-Leucine","A28":"295690000","A30":"281590000","A40":"252960000","A42":"285210000","A49":"262640000","AS53":"261150000","AS58":"253800000","AS63":"285920000","AS78":"250340000","AS153":"267260000"},{"Metabolite":"2-Methyl-5-nitroimidazole-1-ethanol","A28":"6899.7","A30":"10346","A40":"24818","A42":"9691.5","A49":"135820","AS53":"9015.9","AS58":"7228.9","AS63":"41289","AS78":"6030.5","AS153":"25997"},{"Metabolite":"Glycyrrhetinic acid","A28":"3501100","A30":"6475300","A40":"6467600","A42":"7711300","A49":"3763100","AS53":"2399100","AS58":"3702900","AS63":"9217500","AS78":"2051500","AS153":"4043300"},{"Metabolite":"9-Fluorenone","A28":"30582","A30":"28558","A40":"25373","A42":"21891","A49":"26516","AS53":"30644","AS58":"21281","AS63":"27299","AS78":"25600","AS153":"33445"},{"Metabolite":"3-(Methylthio)-1-propanol","A28":"656750","A30":"458780","A40":"607430","A42":"673020","A49":"658450","AS53":"601970","AS58":"631400","AS63":"496030","AS78":"565720","AS153":"597250"},{"Metabolite":"p-Menth-1-en-4-ol","A28":"58039","A30":"35151","A40":"34580","A42":"71363","A49":"61103","AS53":"32266","AS58":"60809","AS63":"34418","AS78":"58185","AS153":"9"},{"Metabolite":"Diethyl malonate","A28":"15853","A30":"15077","A40":"17425","A42":"22860","A49":"12666","AS53":"22412","AS58":"20350","AS63":"20431","AS78":"14903","AS153":"14015"},{"Metabolite":"Ethyl butyrate","A28":"395870","A30":"320880","A40":"534350","A42":"454230","A49":"513710","AS53":"380190","AS58":"644430","AS63":"683780","AS78":"350480","AS153":"300120"},{"Metabolite":"2-Undecanone","A28":"880850","A30":"1779500","A40":"2139700","A42":"784430","A49":"915880","AS53":"1084700","AS58":"748650","AS63":"792110","AS78":"1356100","AS153":"608730"},{"Metabolite":"1-DECANOL","A28":"1633500","A30":"1329000","A40":"1717400","A42":"1382300","A49":"1547600","AS53":"824890","AS58":"1343100","AS63":"1253600","AS78":"987220","AS153":"1078100"},{"Metabolite":"10-UNDECENOIC ACID","A28":"1800500","A30":"1349400","A40":"1544000","A42":"1246000","A49":"1044300","AS53":"1032600","AS58":"1101800","AS63":"1075600","AS78":"747810","AS153":"775980"},{"Metabolite":"Undecanal","A28":"613060","A30":"1199700","A40":"1460800","A42":"571990","A49":"607960","AS53":"738220","AS58":"540180","AS63":"543530","AS78":"882240","AS153":"403390"},{"Metabolite":"2-Pentyl-3-phenyl-2-propenal","A28":"90310","A30":"71102","A40":"82897","A42":"78759","A49":"85687","AS53":"98267","AS58":"94540","AS63":"88814","AS78":"81539","AS153":"93773"},{"Metabolite":"4-aminophenol","A28":"203130","A30":"192080","A40":"224160","A42":"217220","A49":"218790","AS53":"201990","AS58":"179620","AS63":"249510","AS78":"197630","AS153":"197870"},{"Metabolite":"PYRROLIDINE","A28":"1521000","A30":"1405000","A40":"1453800","A42":"1495800","A49":"1160900","AS53":"1378200","AS58":"1676200","AS63":"1693200","AS78":"1167800","AS153":"1545600"},{"Metabolite":"Pyrene","A28":"168400","A30":"169200","A40":"158920","A42":"171400","A49":"163280","AS53":"182400","AS58":"165380","AS63":"165820","AS78":"175590","AS153":"166830"},{"Metabolite":"1-HYDROXYANTHRAQUINONE","A28":"6419.8","A30":"9","A40":"7488.8","A42":"4954.5","A49":"9","AS53":"10157","AS58":"9469.1","AS63":"17134","AS78":"9","AS153":"5060.2"},{"Metabolite":"(-)-Menthone","A28":"10921000","A30":"9738800","A40":"10111000","A42":"8386600","A49":"8063000","AS53":"7180500","AS58":"8104900","AS63":"7043800","AS78":"6937800","AS153":"6097700"},{"Metabolite":"MESITYL OXIDE","A28":"4136800","A30":"3405900","A40":"4710500","A42":"4384900","A49":"3993800","AS53":"3556300","AS58":"3263000","AS63":"3820900","AS78":"3130100","AS153":"3601800"},{"Metabolite":"Linalyl oxide","A28":"34311","A30":"61919","A40":"52380","A42":"20748","A49":"33860","AS53":"42228","AS58":"32593","AS63":"35869","AS78":"44265","AS153":"21538"},{"Metabolite":"2-(Methylthio)benzothiazole","A28":"20865","A30":"17713","A40":"21549","A42":"22905","A49":"25053","AS53":"20002","AS58":"29638","AS63":"29873","AS78":"38195","AS153":"29989"},{"Metabolite":"5-METHYLFURFURAL","A28":"326640","A30":"315270","A40":"393980","A42":"467060","A49":"417110","AS53":"340760","AS58":"276770","AS63":"415500","AS78":"313400","AS153":"334560"},{"Metabolite":"METHYL VALERATE","A28":"499470","A30":"587730","A40":"609560","A42":"412840","A49":"470490","AS53":"286560","AS58":"459490","AS63":"336950","AS78":"456320","AS153":"273890"},{"Metabolite":"PROPYL HEXANOATE","A28":"320040","A30":"303320","A40":"453020","A42":"227030","A49":"379970","AS53":"217300","AS58":"302580","AS63":"238080","AS78":"297450","AS153":"248570"},{"Metabolite":"1-PENTADECANOL","A28":"1041100","A30":"1092200","A40":"1030400","A42":"1002800","A49":"1148300","AS53":"1069400","AS58":"979240","AS63":"1006300","AS78":"979970","AS153":"985180"},{"Metabolite":"Gamma-Caprolactone","A28":"125250","A30":"107730","A40":"138820","A42":"105860","A49":"131020","AS53":"133010","AS58":"125300","AS63":"119320","AS78":"121050","AS153":"144050"},{"Metabolite":"6-Methylnicotinamide","A28":"92737000","A30":"89718000","A40":"70435000","A42":"73141000","A49":"86263000","AS53":"69637000","AS58":"90642000","AS63":"77349000","AS78":"49020000","AS153":"71315000"},{"Metabolite":"1-Aminopropan-2-ol","A28":"1577900","A30":"972330","A40":"945430","A42":"1055100","A49":"1717000","AS53":"1188200","AS58":"908300","AS63":"692390","AS78":"773790","AS153":"940760"},{"Metabolite":"3-Methylsalicylic acid","A28":"228160","A30":"231010","A40":"228270","A42":"203750","A49":"210080","AS53":"246130","AS58":"235260","AS63":"213070","AS78":"227120","AS153":"252620"},{"Metabolite":"DIISOBUTYL PHTHALATE","A28":"5901700","A30":"6297200","A40":"5099800","A42":"4699800","A49":"5594500","AS53":"5393600","AS58":"5418400","AS63":"8132800","AS78":"5563500","AS153":"5966400"},{"Metabolite":"Dibutyl phthalate","A28":"2699000","A30":"3003700","A40":"3152500","A42":"2967800","A49":"3362200","AS53":"2708200","AS58":"2761600","AS63":"4290700","AS78":"2971000","AS153":"5005400"},{"Metabolite":"Pulegone","A28":"205670","A30":"214720","A40":"217380","A42":"202880","A49":"202500","AS53":"230510","AS58":"204160","AS63":"197200","AS78":"215050","AS153":"223480"},{"Metabolite":"Naphthalene","A28":"2750700","A30":"2576800","A40":"2505700","A42":"2318400","A49":"2098300","AS53":"1835900","AS58":"1713100","AS63":"1753800","AS78":"1677000","AS153":"1783100"},{"Metabolite":"ETHYL ISOBUTYRATE","A28":"492880","A30":"416220","A40":"428980","A42":"547360","A49":"493070","AS53":"505100","AS58":"376270","AS63":"453560","AS78":"578870","AS153":"500660"},{"Metabolite":"FURFURYL ALCOHOL","A28":"526410","A30":"489520","A40":"573010","A42":"483940","A49":"444050","AS53":"413400","AS58":"498090","AS63":"443070","AS78":"451650","AS153":"432460"},{"Metabolite":"1-Phenylethanol","A28":"24456000","A30":"17625000","A40":"17115000","A42":"12983000","A49":"14794000","AS53":"11046000","AS58":"12685000","AS63":"11288000","AS78":"8780200","AS153":"8571500"},{"Metabolite":"Nα-Acetyl-L-glutamine","A28":"253130","A30":"290310","A40":"342830","A42":"355790","A49":"175980","AS53":"274860","AS58":"370830","AS63":"321150","AS78":"174930","AS153":"213500"},{"Metabolite":"Choline chloride","A28":"175890000","A30":"158490000","A40":"181560000","A42":"177780000","A49":"157670000","AS53":"182180000","AS58":"172010000","AS63":"209230000","AS78":"153610000","AS153":"153960000"},{"Metabolite":"caprate (10:0)","A28":"481790","A30":"491330","A40":"437880","A42":"485610","A49":"468770","AS53":"420880","AS58":"535570","AS63":"447730","AS78":"473770","AS153":"461840"},{"Metabolite":"Isobutyl decanoate","A28":"1270700","A30":"1403800","A40":"1359600","A42":"1251500","A49":"1309200","AS53":"1262100","AS58":"1296800","AS63":"1281600","AS78":"1309000","AS153":"1467800"},{"Metabolite":"glycylphenylalanine","A28":"20036000","A30":"27351000","A40":"20630000","A42":"10965000","A49":"13207000","AS53":"4721400","AS58":"18241000","AS63":"8469700","AS78":"10724000","AS153":"8423000"},{"Metabolite":"L-Glutamic acid","A28":"58875000","A30":"61668000","A40":"67188000","A42":"70537000","A49":"58743000","AS53":"68020000","AS58":"75368000","AS63":"74983000","AS78":"62773000","AS153":"64248000"},{"Metabolite":"proline betaine","A28":"81350000","A30":"102340000","A40":"83015000","A42":"99056000","A49":"89819000","AS53":"91042000","AS58":"95388000","AS63":"115350000","AS78":"110830000","AS153":"137240000"},{"Metabolite":"Bisphenol propane","A28":"2865700","A30":"2981100","A40":"3062800","A42":"2807900","A49":"2789100","AS53":"2912400","AS58":"3038400","AS63":"3216300","AS78":"3105500","AS153":"2950400"},{"Metabolite":"Vitamin E","A28":"66454","A30":"44544","A40":"72258","A42":"38912","A49":"42951","AS53":"84842","AS58":"73181","AS63":"56485","AS78":"39681","AS153":"45305"},{"Metabolite":"N-methylalanine","A28":"778360","A30":"687080","A40":"739980","A42":"791850","A49":"697320","AS53":"852650","AS58":"706260","AS63":"1013300","AS78":"681440","AS153":"753600"},{"Metabolite":"sphinganine","A28":"527160","A30":"626340","A40":"547830","A42":"442530","A49":"624290","AS53":"557550","AS58":"552130","AS63":"665340","AS78":"485240","AS153":"591960"},{"Metabolite":"Glycerophosphatidylcholine","A28":"244880000","A30":"264330000","A40":"286420000","A42":"236230000","A49":"247550000","AS53":"198730000","AS58":"248250000","AS63":"278760000","AS78":"187560000","AS153":"176810000"},{"Metabolite":"tryptophan betaine","A28":"126640","A30":"254040","A40":"165080","A42":"237800","A49":"297690","AS53":"163520","AS58":"141800","AS63":"349400","AS78":"159290","AS153":"313390"},{"Metabolite":"O-Succinyl-L-Homoserine","A28":"29625","A30":"70855","A40":"44037","A42":"71083","A49":"79599","AS53":"38528","AS58":"31557","AS63":"26181","AS78":"40236","AS153":"52285"},{"Metabolite":"Cytidine 5''-Diphosphocholine","A28":"4162100","A30":"9734500","A40":"6035100","A42":"6174400","A49":"7127800","AS53":"3171500","AS58":"8411400","AS63":"6737700","AS78":"9055100","AS153":"10462000"},{"Metabolite":"N-Methyl-L-Glutamate","A28":"3496000","A30":"5295200","A40":"4201300","A42":"5917700","A49":"3172100","AS53":"3783600","AS58":"6714000","AS63":"3905600","AS78":"4124000","AS153":"4531400"},{"Metabolite":"N-Alpha-Acetyl-L-Asparagine","A28":"96619","A30":"97008","A40":"135620","A42":"9","A49":"9","AS53":"104970","AS58":"88975","AS63":"168590","AS78":"90297","AS153":"49483"},{"Metabolite":"Phosphocholine","A28":"8229100","A30":"5947900","A40":"6915800","A42":"5408500","A49":"5748800","AS53":"4228900","AS58":"4971300","AS63":"4893700","AS78":"2919800","AS153":"3759900"},{"Metabolite":"Thiamine Monophosphate","A28":"2218800","A30":"2123500","A40":"2272100","A42":"2129900","A49":"1897900","AS53":"2081200","AS58":"1981700","AS63":"2458500","AS78":"1789100","AS153":"1995800"},{"Metabolite":"2,4-Dihydroxypteridine","A28":"156200","A30":"140050","A40":"184060","A42":"164870","A49":"162840","AS53":"202650","AS58":"205060","AS63":"199710","AS78":"148730","AS153":"174970"},{"Metabolite":"L-Methionine Sulfoximine","A28":"23355","A30":"30324","A40":"34571","A42":"33212","A49":"39902","AS53":"41627","AS58":"24426","AS63":"37019","AS78":"57610","AS153":"44451"},{"Metabolite":"2''-Deoxycytidine 5''-Diphosphate","A28":"1881200","A30":"1622400","A40":"2474700","A42":"2122100","A49":"2743100","AS53":"3346000","AS58":"2354500","AS63":"1822600","AS78":"1751400","AS153":"1840600"},{"Metabolite":"Lumichrome","A28":"212860","A30":"387430","A40":"288170","A42":"280980","A49":"159700","AS53":"299430","AS58":"233520","AS63":"452290","AS78":"208330","AS153":"153970"},{"Metabolite":"L-Tryptophanamide","A28":"40636","A30":"25284","A40":"22493","A42":"33697","A49":"15793","AS53":"29112","AS58":"32313","AS63":"19463","AS78":"20019","AS153":"21285"},{"Metabolite":"Pyridoxal","A28":"49173","A30":"30430","A40":"71387","A42":"31222","A49":"17994","AS53":"73356","AS58":"30964","AS63":"37244","AS78":"46226","AS153":"46198"},{"Metabolite":"3-Methyladenine","A28":"28206","A30":"24364","A40":"27966","A42":"13603","A49":"18894","AS53":"19436","AS58":"16590","AS63":"20910","AS78":"21053","AS153":"17825"},{"Metabolite":"Petroselinic Acid","A28":"4302200","A30":"4094700","A40":"3356300","A42":"5095200","A49":"6779200","AS53":"8281600","AS58":"4820100","AS63":"4333600","AS78":"7343800","AS153":"5460800"},{"Metabolite":"Hexadecanol","A28":"57136","A30":"51942","A40":"61780","A42":"64988","A49":"61583","AS53":"73794","AS58":"61762","AS63":"61800","AS78":"51081","AS153":"72054"},{"Metabolite":"Oleate","A28":"4190500","A30":"4282700","A40":"3550300","A42":"6128200","A49":"7278000","AS53":"9140600","AS58":"5012600","AS63":"4553900","AS78":"9055000","AS153":"6103700"},{"Metabolite":"Deoxycorticosterone Acetate","A28":"3990.3","A30":"4668.4","A40":"3547.2","A42":"9","A49":"9","AS53":"6602","AS58":"7418.6","AS63":"19099","AS78":"9","AS153":"2540.1"}],

"Metabolites":[{"metabolite_name":"D-Homocysteine"},{"metabolite_name":"Glycine"},{"metabolite_name":"L-Cystine"},{"metabolite_name":"L-Tyrosine"},{"metabolite_name":"L-Lysine"},{"metabolite_name":"L-Ornithine"},{"metabolite_name":"L-Alanine"},{"metabolite_name":"L-Citrulline"},{"metabolite_name":"L-Histidine"},{"metabolite_name":"L-Methionine"},{"metabolite_name":"L-Phenylalanine"},{"metabolite_name":"L-Proline"},{"metabolite_name":"L-Pyroglutamic Acid"},{"metabolite_name":"L-Tryptophan"},{"metabolite_name":"L-Valine"},{"metabolite_name":"(5-L-Glutamyl)-L-Amino Acid"},{"metabolite_name":"Cysteamine"},{"metabolite_name":"3-Chloro-L-Tyrosine"},{"metabolite_name":"3-Hydroxy-3-Methylpentane-1,5-Dioic Acid"},{"metabolite_name":"3-N-Methyl-L-Histidine"},{"metabolite_name":"5-Hydroxy-L-Tryptophan"},{"metabolite_name":"5-Oxoproline"},{"metabolite_name":"Asp-Phe"},{"metabolite_name":"Beta-Alanine"},{"metabolite_name":"Betaine"},{"metabolite_name":"Glutathione Oxidized"},{"metabolite_name":"Glutathione Reducedform"},{"metabolite_name":"Histamine"},{"metabolite_name":"L-Cystathionine"},{"metabolite_name":"L-Cysteine"},{"metabolite_name":"L-Dopa"},{"metabolite_name":"L-Glutamine"},{"metabolite_name":"L-Homocitrulline"},{"metabolite_name":"L-Homocystine"},{"metabolite_name":"L-Saccharopine"},{"metabolite_name":"L-Theanine"},{"metabolite_name":"Methionine Sulfoxide"},{"metabolite_name":"N,N-Dimethylglycine"},{"metabolite_name":"N6-Acetyl-L-Lysine"},{"metabolite_name":"N-Acetylaspartate"},{"metabolite_name":"N-Acetylcysteine"},{"metabolite_name":"N-Acetylmannosamine"},{"metabolite_name":"N-Acetylputrescine"},{"metabolite_name":"N-Glycyl-L-Leucine"},{"metabolite_name":"N-Propionylglycine"},{"metabolite_name":"Nα-Acetyl-L-Arginine"},{"metabolite_name":"Phenylacetyl-L-Glutamine"},{"metabolite_name":"S-Adenosyl-L-Methionine"},{"metabolite_name":"Serotonin"},{"metabolite_name":"Trimethylamine N-Oxide"},{"metabolite_name":"Urea"},{"metabolite_name":"L-Alanyl-L-Lysine"},{"metabolite_name":"N-Acetylhistamine"},{"metabolite_name":"P-Coumaraldehyde"},{"metabolite_name":"Syringic Acid"},{"metabolite_name":"Methyl Benzoate"},{"metabolite_name":"(3,4-Dimethoxyphenyl) Acetic Acid"},{"metabolite_name":"Phthalic Acid"},{"metabolite_name":"1,4-Dihydro-1-Methyl-4-Oxo-3-Pyridinecarboxamide"},{"metabolite_name":"2-Picolinic Acid"},{"metabolite_name":"4-Pyridoxic Acid"},{"metabolite_name":"6-Hydroxynicotinic Acid"},{"metabolite_name":"Acetylcholine Chloride"},{"metabolite_name":"Choline"},{"metabolite_name":"1,5-Diaminopentane"},{"metabolite_name":"Putrescine"},{"metabolite_name":"Diethanolamine"},{"metabolite_name":"Phenethylamine"},{"metabolite_name":"Protocatechuic Acid"},{"metabolite_name":"Biotin"},{"metabolite_name":"1-Methyladenine"},{"metabolite_name":"1-Methylhistidine"},{"metabolite_name":"1-Methylxanthine"},{"metabolite_name":"2''-Deoxyadenosine-5''-Monophosphate"},{"metabolite_name":"2''-Deoxyinosine"},{"metabolite_name":"2-Hydroxy-6-Aminopurine"},{"metabolite_name":"3''-Aenylic Acid"},{"metabolite_name":"5,6-Dihydro-5-Methyluracil"},{"metabolite_name":"5-Methylcytosine"},{"metabolite_name":"5-Methyluridine"},{"metabolite_name":"7-Methylxanthine"},{"metabolite_name":"8-Hydroxyguanosine"},{"metabolite_name":"Adenine"},{"metabolite_name":"Adenosine"},{"metabolite_name":"Cytidine"},{"metabolite_name":"Cytidine-5-Monophosphate"},{"metabolite_name":"Cytosine"},{"metabolite_name":"Deoxyguanosine"},{"metabolite_name":"Guanosine"},{"metabolite_name":"Guanosine 3'',5''-Cyclic Monophosphate"},{"metabolite_name":"Guanosine Monophosphate"},{"metabolite_name":"Nicotinic Acid Adenine Dinucleotide"},{"metabolite_name":"Purine"},{"metabolite_name":"Pyrimidinefreebase"},{"metabolite_name":"Thymidine"},{"metabolite_name":"Thymine"},{"metabolite_name":"Β-Nicotinamide Mononucleotide"},{"metabolite_name":"3,3'',5-Triiodo-L-Thyronine"},{"metabolite_name":"L-Thyroxine"},{"metabolite_name":"Metanephrine"},{"metabolite_name":"Norepinephrine"},{"metabolite_name":"L-Carnitine"},{"metabolite_name":"Melatonin"},{"metabolite_name":"N-Acetyl-5-Hydroxytryptamine"},{"metabolite_name":"Dl-Threitol"},{"metabolite_name":"D-Mannitol"},{"metabolite_name":"Maltose"},{"metabolite_name":"D-Glucono-1,5-Lactone"},{"metabolite_name":"Gluconic Acid"},{"metabolite_name":"Vitamin D3"},{"metabolite_name":"L-Ascorbate"},{"metabolite_name":"Pyridoxine"},{"metabolite_name":"Orotic Acid"},{"metabolite_name":"Nicotinamide"},{"metabolite_name":"4-Oxoretinol"},{"metabolite_name":"All-Trans-13,14-Dihydroretinol"},{"metabolite_name":"Nicotinuric Acid"},{"metabolite_name":"Riboflavin"},{"metabolite_name":"Trigonelline"},{"metabolite_name":"5-Hydroxyindole-3-Acetic Acid"},{"metabolite_name":"5-Hydroxytryptophol"},{"metabolite_name":"Indole-3-Acetic Acid"},{"metabolite_name":"1,3-Diaminopropane"},{"metabolite_name":"2,6-Diaminooimelic Acid"},{"metabolite_name":"2-Aminoethanesulfinic Acid"},{"metabolite_name":"4-Guanidinobutyric Acid"},{"metabolite_name":"5-Aminovaleric Acid"},{"metabolite_name":"6-Aminocaproic Acid"},{"metabolite_name":"7-Methyluric Acid"},{"metabolite_name":"Chlorogenic Acid"},{"metabolite_name":"Creatinine"},{"metabolite_name":"D-2-Aminobutyric Acid"},{"metabolite_name":"Dl-2-Aminooctanoic Acid"},{"metabolite_name":"Dodecanedioic Aicd"},{"metabolite_name":"D-Pipecolinic Acid"},{"metabolite_name":"Guanidineacetic Acid"},{"metabolite_name":"Hippuric Acid"},{"metabolite_name":"Homovanillic Acid"},{"metabolite_name":"Kinurenine"},{"metabolite_name":"Kynurenic Acid"},{"metabolite_name":"L-2-Aminobutyric Acid"},{"metabolite_name":"L-Homoserine"},{"metabolite_name":"Maleic Acid"},{"metabolite_name":"N''-Formylkynurenine"},{"metabolite_name":"P-Aminohippuric Acid"},{"metabolite_name":"Sebacate"},{"metabolite_name":"Subericacid"},{"metabolite_name":"Cinnamic Acid"},{"metabolite_name":"Uric Acid"},{"metabolite_name":"Lysopc 14:0"},{"metabolite_name":"Lysopc 16:0"},{"metabolite_name":"Lysopc 16:1"},{"metabolite_name":"Lysopc 18:0"},{"metabolite_name":"Lysopc 18:1"},{"metabolite_name":"Lysopc 18:2"},{"metabolite_name":"Lysopc 20:1"},{"metabolite_name":"Lysopc 20:2"},{"metabolite_name":"Methyl Nicotinate"},{"metabolite_name":"Urocanic Acid"},{"metabolite_name":"Pipecolinic Acid"},{"metabolite_name":"4-Hydroxybenzaldehyde"},{"metabolite_name":"Taurocholic Acid Sodium Salt Hydrate"},{"metabolite_name":"4-(Aminomethyl)-5-(Hydroxymethyl)-2-Methylpyridin-3-Ol"},{"metabolite_name":"Acetaminophen Glucuronide"},{"metabolite_name":"N-Acetylglycine"},{"metabolite_name":"Cyclic Amp"},{"metabolite_name":"N6-Succinyl Adenosine"},{"metabolite_name":"3-Hydroxyhippuric Acid"},{"metabolite_name":"2-(Dimethylamino)Guanosine"},{"metabolite_name":"7-Methylguanine"},{"metabolite_name":"Β-Pseudouridine"},{"metabolite_name":"L-Sepiapterin"},{"metabolite_name":"H-Homoarg-Oh"},{"metabolite_name":"Pyridoxine 5''-Phosphate"},{"metabolite_name":"4-Hydroxyretinoic Acid"},{"metabolite_name":"L-Pipecolic Acid"},{"metabolite_name":"5''-Deoxy-5''-(Methylthio) Adenosine"},{"metabolite_name":"Guanine"},{"metabolite_name":"Deoxycytidine"},{"metabolite_name":"3-Aminoisobutanoic Acid"},{"metabolite_name":"11-Cis-Retinol"},{"metabolite_name":"Cys-Gly"},{"metabolite_name":"Trans-Citridic Acid"},{"metabolite_name":"6-Phosphogluconic Acid Trisodium Salt"},{"metabolite_name":"Phosphoric Acid"},{"metabolite_name":"Xanthurenic Acid"},{"metabolite_name":"Cholesterol"},{"metabolite_name":"Punicic Acid"},{"metabolite_name":"2-Aminoadipic Acid"},{"metabolite_name":"Hordenine"},{"metabolite_name":"Lysopc 17:0"},{"metabolite_name":"6-Methylmercaptopurine"},{"metabolite_name":"Ergothioneine"},{"metabolite_name":"Methoxyindoleacetic Acid"},{"metabolite_name":"Sn-Glycero-3-Phosphocholine"},{"metabolite_name":"10-Formyl-Thf"},{"metabolite_name":"P-Aminobenzoate"},{"metabolite_name":"Indole"},{"metabolite_name":"Isoquinoline"},{"metabolite_name":"Piperidine"},{"metabolite_name":"5-Aminolevulinate"},{"metabolite_name":"2-Methylguanosine"},{"metabolite_name":"N-Hydroxy Tryptamine"},{"metabolite_name":"Lysopc 15:0"},{"metabolite_name":"Lysope 18:2 (2N Isomer)"},{"metabolite_name":"Lysopc 18:3"},{"metabolite_name":"2-Hydroxycinnamic acid"},{"metabolite_name":"DL-o-Tyrosine"},{"metabolite_name":"trans-3-Indoleacrylic acid"},{"metabolite_name":"Acetyl-L-carnitine"},{"metabolite_name":"Jasmonic acid"},{"metabolite_name":"Hexadecanamide"},{"metabolite_name":"Thiamine"},{"metabolite_name":"DL-Stachydrine"},{"metabolite_name":"L-Norleucine"},{"metabolite_name":"DL-Carnitine"},{"metabolite_name":"N-Acetyl-L-alanine"},{"metabolite_name":"Indole-3-acetamide"},{"metabolite_name":"15-deoxy-δ-12,14-PGJ2"},{"metabolite_name":"Triethyl phosphate"},{"metabolite_name":"PAF C-16"},{"metabolite_name":"7,8-dihydro-L-Biopterin"},{"metabolite_name":"δ-Valerolactam"},{"metabolite_name":"N-METHYL (-)EPHEDRINE"},{"metabolite_name":"alantolactone"},{"metabolite_name":"Androsterone"},{"metabolite_name":"3-(2-Hydroxyphenyl)propionic acid"},{"metabolite_name":"Epiandrosterone"},{"metabolite_name":"Oleamide"},{"metabolite_name":"5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide"},{"metabolite_name":"Isobutyryl carnitine"},{"metabolite_name":"alpha-Cadinene"},{"metabolite_name":"gamma-Muurolene"},{"metabolite_name":"Asp-Phe methyl ester"},{"metabolite_name":"Pterine"},{"metabolite_name":"Stearidonic Acid"},{"metabolite_name":"N-Alpha-acetyllysine"},{"metabolite_name":"Ritalinic acid"},{"metabolite_name":"p-Mentha-1,3,8-triene"},{"metabolite_name":"Spermidine"},{"metabolite_name":"1-(4-Methoxyphenyl)-2-propanone"},{"metabolite_name":"Cuminaldehyde"},{"metabolite_name":"2-(3,4-dimethoxyphenyl)ethanamine"},{"metabolite_name":"Anatabine"},{"metabolite_name":"N-Methyl-a-aminoisobutyric acid"},{"metabolite_name":"2-Methylbutyroylcarnitine"},{"metabolite_name":"Isonicotinic acid"},{"metabolite_name":"Dimethyl fumarate"},{"metabolite_name":"beta-Cubebene"},{"metabolite_name":"L-phenylalanyl-L-proline"},{"metabolite_name":"LysoPE(16:1(9Z)/0:0)"},{"metabolite_name":"3-Hydroxy-DL-kynurenine"},{"metabolite_name":"Ethylbenzene"},{"metabolite_name":"Diphenyl ether"},{"metabolite_name":"Methyl cinnamate"},{"metabolite_name":"Benzylcinnamate"},{"metabolite_name":"Isoamyl butyrate"},{"metabolite_name":"Ethyl?Heptanoate"},{"metabolite_name":"Ethyl dodecanoate"},{"metabolite_name":"1,4-Xylene"},{"metabolite_name":"1,2-Dichloroethane"},{"metabolite_name":"L- tyrosine methyl ester"},{"metabolite_name":"m-Xylene"},{"metabolite_name":"m-Cresol"},{"metabolite_name":"2,6-Dimethylpyridine"},{"metabolite_name":"2,6-Dimethylpyrazine"},{"metabolite_name":"Cyclohexanone"},{"metabolite_name":"Butyl 3-methylbutanoate"},{"metabolite_name":"Butylamine"},{"metabolite_name":"2,2,2-Trichloroethanol"},{"metabolite_name":"Methylcysteine"},{"metabolite_name":"2-Acetylfuran"},{"metabolite_name":"2-Acetyl-5-methylfuran"},{"metabolite_name":"Benzophenone"},{"metabolite_name":"TranexamicAcid"},{"metabolite_name":"Triethylamine"},{"metabolite_name":"Octadecanamide"},{"metabolite_name":"2,6-Di-tert-butyl-4-methylphenol"},{"metabolite_name":"Methyl?beta-D-galactopyranoside"},{"metabolite_name":"(E)-2-Octen-1-ol"},{"metabolite_name":"Atrazine"},{"metabolite_name":"Naproxen"},{"metabolite_name":"2-Pentadecanone"},{"metabolite_name":"Methyl dihydrojasmonate"},{"metabolite_name":"Hexyl butyrate"},{"metabolite_name":"3-Hydroxy-4,5-dimethyl-2(5H)-furanone"},{"metabolite_name":"cis-Citral"},{"metabolite_name":"Methylisobutyrate"},{"metabolite_name":"N-Nitrosodiethylamine"},{"metabolite_name":"3,5-Dinitrosalicylic acid"},{"metabolite_name":"3-Methylthiophene"},{"metabolite_name":"Barbituric acid"},{"metabolite_name":"2,4-Dichlorophenoxyacetic acid"},{"metabolite_name":"o-Xylene"},{"metabolite_name":"1,3-diisopropylbenzene"},{"metabolite_name":"Hexyl?Acetate"},{"metabolite_name":"Farnesol"},{"metabolite_name":"2,4,6-Trimethylphenol"},{"metabolite_name":"Terpinolene"},{"metabolite_name":"alpha-Terpinene"},{"metabolite_name":"3-(Methylthio)propionaldehyde"},{"metabolite_name":"DL-Leucine"},{"metabolite_name":"2-Methyl-5-nitroimidazole-1-ethanol"},{"metabolite_name":"Glycyrrhetinic acid"},{"metabolite_name":"9-Fluorenone"},{"metabolite_name":"3-(Methylthio)-1-propanol"},{"metabolite_name":"p-Menth-1-en-4-ol"},{"metabolite_name":"Diethyl malonate"},{"metabolite_name":"Ethyl butyrate"},{"metabolite_name":"2-Undecanone"},{"metabolite_name":"1-DECANOL"},{"metabolite_name":"10-UNDECENOIC ACID"},{"metabolite_name":"Undecanal"},{"metabolite_name":"2-Pentyl-3-phenyl-2-propenal"},{"metabolite_name":"4-aminophenol"},{"metabolite_name":"PYRROLIDINE"},{"metabolite_name":"Pyrene"},{"metabolite_name":"1-HYDROXYANTHRAQUINONE"},{"metabolite_name":"(-)-Menthone"},{"metabolite_name":"MESITYL OXIDE"},{"metabolite_name":"Linalyl oxide"},{"metabolite_name":"2-(Methylthio)benzothiazole"},{"metabolite_name":"5-METHYLFURFURAL"},{"metabolite_name":"METHYL VALERATE"},{"metabolite_name":"PROPYL HEXANOATE"},{"metabolite_name":"1-PENTADECANOL"},{"metabolite_name":"Gamma-Caprolactone"},{"metabolite_name":"6-Methylnicotinamide"},{"metabolite_name":"1-Aminopropan-2-ol"},{"metabolite_name":"3-Methylsalicylic acid"},{"metabolite_name":"DIISOBUTYL PHTHALATE"},{"metabolite_name":"Dibutyl phthalate"},{"metabolite_name":"Pulegone"},{"metabolite_name":"Naphthalene"},{"metabolite_name":"ETHYL ISOBUTYRATE"},{"metabolite_name":"FURFURYL ALCOHOL"},{"metabolite_name":"1-Phenylethanol"},{"metabolite_name":"Nα-Acetyl-L-glutamine"},{"metabolite_name":"Choline chloride"},{"metabolite_name":"caprate (10:0)"},{"metabolite_name":"Isobutyl decanoate"},{"metabolite_name":"glycylphenylalanine"},{"metabolite_name":"L-Glutamic acid"},{"metabolite_name":"proline betaine"},{"metabolite_name":"Bisphenol propane"},{"metabolite_name":"Vitamin E"},{"metabolite_name":"N-methylalanine"},{"metabolite_name":"sphinganine"},{"metabolite_name":"Glycerophosphatidylcholine"},{"metabolite_name":"tryptophan betaine"},{"metabolite_name":"O-Succinyl-L-Homoserine"},{"metabolite_name":"Cytidine 5''-Diphosphocholine"},{"metabolite_name":"N-Methyl-L-Glutamate"},{"metabolite_name":"N-Alpha-Acetyl-L-Asparagine"},{"metabolite_name":"Phosphocholine"},{"metabolite_name":"Thiamine Monophosphate"},{"metabolite_name":"2,4-Dihydroxypteridine"},{"metabolite_name":"L-Methionine Sulfoximine"},{"metabolite_name":"2''-Deoxycytidine 5''-Diphosphate"},{"metabolite_name":"Lumichrome"},{"metabolite_name":"L-Tryptophanamide"},{"metabolite_name":"Pyridoxal"},{"metabolite_name":"3-Methyladenine"},{"metabolite_name":"Petroselinic Acid"},{"metabolite_name":"Hexadecanol"},{"metabolite_name":"Oleate"},{"metabolite_name":"Deoxycorticosterone Acetate"}]
}

}