{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000758","ANALYSIS_ID":"AN001191","VERSION":"1","CREATED_ON":"July 4, 2017, 2:54 pm"},

"PROJECT":{"PROJECT_TITLE":"Caloric Restriction and Oxidative capactiy in rats","PROJECT_TYPE":"MS analysis","PROJECT_SUMMARY":"One year caloric restriction compared to ad lib feeding on metabolic and clinical parameters to assess association with intrinsic oxidative capacity","INSTITUTE":"University of Michigan","DEPARTMENT":"UMich Internal Medicine","LABORATORY":"Burant Lab","LAST_NAME":"Burant","FIRST_NAME":"Chuck","ADDRESS":"1500 E. Medical Center Drive Ann Arbor, MI 48109","EMAIL":"burantc@umich.edu","PHONE":"734 615-3481"},

"STUDY":{"STUDY_TITLE":"Effects of caloric restriction in HCR/LCR rats","STUDY_TYPE":"MS analysis","STUDY_SUMMARY":"One year caloric restriction (CR) compared to ad lib (AL) feeding on metabolic and clinical parameters to assess association with intrinsic oxidative capacity. High and low capacity running rats (HCR and LCR) were randomized to ad lib feeding vs. 40% caloric restriction starting at 8 weeks of age. Experiment was continued for 52 weeks when blood and tissue were collected. Exercise capacity, CLAMS assessment of fuel utilization and clinical parameters were determined at 8 weeks, 8 months and 12 months of age. Tissue was collected in the fed (2 hours after re-feeding) or fasted stated all groups.","INSTITUTE":"University of Michigan","DEPARTMENT":"Biomedical Research Core Facilities","LABORATORY":"Metabolomics core","LAST_NAME":"Kachman","FIRST_NAME":"Maureen","ADDRESS":"6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714","EMAIL":"mkachman@med.umich.edu","PHONE":"(734) 232-8175","NUM_GROUPS":"7","TOTAL_SUBJECTS":"5"},

"SUBJECT":{"SUBJECT_TYPE":"Rat","SUBJECT_SPECIES":"Rattus norvegicus","TAXONOMY_ID":"10114"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"SU0012386",
"Sample ID":"S00018536",
"Factors":{"Feeding":"Fast","Group":"LCR-AL"}
},
{
"Subject ID":"SU0012386",
"Sample ID":"S00018537",
"Factors":{"Feeding":"Fast","Group":"LCR-AL"}
},
{
"Subject ID":"SU0012386",
"Sample ID":"S00018538",
"Factors":{"Feeding":"Fast","Group":"LCR-AL"}
},
{
"Subject ID":"SU0012386",
"Sample ID":"S00018539",
"Factors":{"Feeding":"Fast","Group":"LCR-AL"}
},
{
"Subject ID":"SU0012386",
"Sample ID":"S00018540",
"Factors":{"Feeding":"Fast","Group":"LCR-AL"}
},
{
"Subject ID":"SU0012386",
"Sample ID":"S00018541",
"Factors":{"Feeding":"Fast","Group":"LCR-AL"}
},
{
"Subject ID":"SU0012386",
"Sample ID":"S00018542",
"Factors":{"Feeding":"Fed","Group":"LCR-AL"}
},
{
"Subject ID":"SU0012386",
"Sample ID":"S00018543",
"Factors":{"Feeding":"Fed","Group":"LCR-AL"}
},
{
"Subject ID":"SU0012386",
"Sample ID":"S00018544",
"Factors":{"Feeding":"Fed","Group":"LCR-AL"}
},
{
"Subject ID":"SU0012386",
"Sample ID":"S00018545",
"Factors":{"Feeding":"Fed","Group":"LCR-AL"}
},
{
"Subject ID":"SU0012386",
"Sample ID":"S00018546",
"Factors":{"Feeding":"Fed","Group":"LCR-AL"}
},
{
"Subject ID":"SU0012386",
"Sample ID":"S00018547",
"Factors":{"Feeding":"Fed","Group":"LCR-AL"}
},
{
"Subject ID":"SU0012387",
"Sample ID":"S00018548",
"Factors":{"Feeding":"Fast","Group":"HCR-AL"}
},
{
"Subject ID":"SU0012387",
"Sample ID":"S00018549",
"Factors":{"Feeding":"Fast","Group":"HCR-AL"}
},
{
"Subject ID":"SU0012387",
"Sample ID":"S00018550",
"Factors":{"Feeding":"Fast","Group":"HCR-AL"}
},
{
"Subject ID":"SU0012387",
"Sample ID":"S00018551",
"Factors":{"Feeding":"Fast","Group":"HCR-AL"}
},
{
"Subject ID":"SU0012387",
"Sample ID":"S00018552",
"Factors":{"Feeding":"Fast","Group":"HCR-AL"}
},
{
"Subject ID":"SU0012387",
"Sample ID":"S00018553",
"Factors":{"Feeding":"Fed","Group":"HCR-AL"}
},
{
"Subject ID":"SU0012387",
"Sample ID":"S00018554",
"Factors":{"Feeding":"Fed","Group":"HCR-AL"}
},
{
"Subject ID":"SU0012387",
"Sample ID":"S00018555",
"Factors":{"Feeding":"Fed","Group":"HCR-AL"}
},
{
"Subject ID":"SU0012387",
"Sample ID":"S00018556",
"Factors":{"Feeding":"Fed","Group":"HCR-AL"}
},
{
"Subject ID":"SU0012387",
"Sample ID":"S00018557",
"Factors":{"Feeding":"Fed","Group":"HCR-AL"}
},
{
"Subject ID":"SU0012388",
"Sample ID":"S00018558",
"Factors":{"Feeding":"Fast","Group":"LCR-CR"}
},
{
"Subject ID":"SU0012388",
"Sample ID":"S00018559",
"Factors":{"Feeding":"Fast","Group":"LCR-CR"}
},
{
"Subject ID":"SU0012388",
"Sample ID":"S00018560",
"Factors":{"Feeding":"Fast","Group":"LCR-CR"}
},
{
"Subject ID":"SU0012388",
"Sample ID":"S00018561",
"Factors":{"Feeding":"Fast","Group":"LCR-CR"}
},
{
"Subject ID":"SU0012388",
"Sample ID":"S00018562",
"Factors":{"Feeding":"Fast","Group":"LCR-CR"}
},
{
"Subject ID":"SU0012388",
"Sample ID":"S00018563",
"Factors":{"Feeding":"Fast","Group":"LCR-CR"}
},
{
"Subject ID":"SU0012388",
"Sample ID":"S00018564",
"Factors":{"Feeding":"Fed","Group":"LCR-CR"}
},
{
"Subject ID":"SU0012388",
"Sample ID":"S00018565",
"Factors":{"Feeding":"Fed","Group":"LCR-CR"}
},
{
"Subject ID":"SU0012388",
"Sample ID":"S00018566",
"Factors":{"Feeding":"Fed","Group":"LCR-CR"}
},
{
"Subject ID":"SU0012388",
"Sample ID":"S00018567",
"Factors":{"Feeding":"Fed","Group":"LCR-CR"}
},
{
"Subject ID":"SU0012388",
"Sample ID":"S00018568",
"Factors":{"Feeding":"Fed","Group":"LCR-CR"}
},
{
"Subject ID":"SU0012388",
"Sample ID":"S00018569",
"Factors":{"Feeding":"Fed","Group":"LCR-CR"}
},
{
"Subject ID":"SU0012389",
"Sample ID":"S00018570",
"Factors":{"Feeding":"Fast","Group":"HCR-CR"}
},
{
"Subject ID":"SU0012389",
"Sample ID":"S00018571",
"Factors":{"Feeding":"Fast","Group":"HCR-CR"}
},
{
"Subject ID":"SU0012389",
"Sample ID":"S00018572",
"Factors":{"Feeding":"Fast","Group":"HCR-CR"}
},
{
"Subject ID":"SU0012389",
"Sample ID":"S00018573",
"Factors":{"Feeding":"Fast","Group":"HCR-CR"}
},
{
"Subject ID":"SU0012389",
"Sample ID":"S00018574",
"Factors":{"Feeding":"Fast","Group":"HCR-CR"}
},
{
"Subject ID":"SU0012389",
"Sample ID":"S00018575",
"Factors":{"Feeding":"Fast","Group":"HCR-CR"}
},
{
"Subject ID":"SU0012389",
"Sample ID":"S00018576",
"Factors":{"Feeding":"Fed","Group":"HCR-CR"}
},
{
"Subject ID":"SU0012389",
"Sample ID":"S00018577",
"Factors":{"Feeding":"Fed","Group":"HCR-CR"}
},
{
"Subject ID":"SU0012389",
"Sample ID":"S00018578",
"Factors":{"Feeding":"Fed","Group":"HCR-CR"}
},
{
"Subject ID":"SU0012389",
"Sample ID":"S00018579",
"Factors":{"Feeding":"Fed","Group":"HCR-CR"}
},
{
"Subject ID":"SU0012389",
"Sample ID":"S00018580",
"Factors":{"Feeding":"Fed","Group":"HCR-CR"}
},
{
"Subject ID":"SU0012389",
"Sample ID":"S00018581",
"Factors":{"Feeding":"Fed","Group":"HCR-CR"}
},
{
"Subject ID":"SU9999996",
"Sample ID":"S00020152",
"Factors":{"Feeding":"Pooled plasma","Group":"Pooled plasma"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"-"},

"TREATMENT":{"TREATMENT_SUMMARY":"-"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"-","SAMPLEPREP_PROTOCOL_FILENAME":"A003 - Untargeted Metabolomics.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent","COLUMN_NAME":"Waters Acquity HSS T3 (50 x 2.1mm, 1.8um)"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","ANALYSIS_PROTOCOL_FILE":"A003 - Untargeted Metabolomics.pdf"},

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Agilent 6530 QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE"},

"MS_METABOLITE_DATA":{
"Units":"peak area",

"Data":[{"Metabolite":"(-)-COTININE (CAS# 486-56-6); (M+H)+","S00018536":"","S00018537":"179456","S00018538":"251847","S00018539":"","S00018540":"37117","S00018541":"196974","S00018542":"176606","S00018543":"402247","S00018544":"","S00018545":"244204","S00018546":"235120","S00018547":"222021","S00018548":"86550","S00018549":"203102","S00018550":"115535","S00018552":"286714","S00018553":"","S00018554":"183094","S00018555":"","S00018556":"214572","S00018558":"313840","S00018559":"425031","S00018561":"109962","S00018562":"14000","S00018563":"29519","S00018564":"236893","S00018565":"","S00018566":"261301","S00018567":"63116","S00018568":"79829","S00018569":"162985","S00018570":"96949","S00018571":"83103","S00018572":"","S00018573":"197825","S00018574":"235665","S00018575":"46674","S00018576":"231365","S00018577":"194379","S00018578":"235700","S00018579":"336828","S00018580":"132225","S00018581":"114193"},{"Metabolite":"1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8); (M+H)+","S00018536":"33789","S00018537":"30579","S00018538":"120117","S00018539":"29864","S00018540":"30943","S00018541":"28708","S00018542":"55274","S00018543":"30251","S00018544":"61414","S00018545":"53291","S00018546":"29639","S00018547":"32858","S00018548":"5633","S00018549":"49819","S00018550":"47194","S00018552":"50545","S00018553":"52281","S00018554":"44835","S00018555":"59232","S00018556":"62319","S00018558":"59898","S00018559":"65829","S00018561":"42506","S00018562":"56652","S00018563":"20540","S00018564":"108742","S00018565":"63901","S00018566":"76637","S00018567":"44115","S00018568":"70630","S00018569":"61820","S00018570":"41104","S00018571":"","S00018572":"33358","S00018573":"51371","S00018574":"55398","S00018575":"26166","S00018576":"91188","S00018577":"44779","S00018578":"52005","S00018579":"74863","S00018580":"1640","S00018581":"58250"},{"Metabolite":"1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+","S00018536":"","S00018537":"1515","S00018538":"","S00018539":"6271","S00018540":"","S00018541":"","S00018542":"","S00018543":"6786","S00018544":"1674","S00018545":"6051","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"2319","S00018576":"","S00018577":"","S00018578":"","S00018579":"5286","S00018580":"2788","S00018581":"3216"},{"Metabolite":"1-METHYLURIC ACID (CAS# 708-79-2); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"3074","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"2624","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"1-METHYLXANTHINE (CAS# 6136-37-4); (M+H)+","S00018536":"1613612","S00018537":"1402396","S00018538":"2919777","S00018539":"1586091","S00018540":"1430159","S00018541":"1511774","S00018542":"1764501","S00018543":"1590597","S00018544":"1644033","S00018545":"1470084","S00018546":"1753790","S00018547":"1745256","S00018548":"1204266","S00018549":"1454433","S00018550":"1024566","S00018552":"1544253","S00018553":"1578298","S00018554":"1355048","S00018555":"1148047","S00018556":"1294791","S00018558":"1415736","S00018559":"1423726","S00018561":"1206904","S00018562":"1414120","S00018563":"1175134","S00018564":"2164083","S00018565":"1349672","S00018566":"1865235","S00018567":"1218946","S00018568":"1440232","S00018569":"1444906","S00018570":"1170573","S00018571":"1106835","S00018572":"1208498","S00018573":"1201126","S00018574":"1164302","S00018575":"949859","S00018576":"1608942","S00018577":"1093259","S00018578":"1320649","S00018579":"1639028","S00018580":"1491538","S00018581":"1043075"},{"Metabolite":"1-METHYLXANTHINE (CAS# 6136-37-4); (M+NA)+","S00018536":"14447","S00018537":"","S00018538":"25285","S00018539":"14036","S00018540":"11980","S00018541":"11963","S00018542":"","S00018543":"14010","S00018544":"12957","S00018545":"12654","S00018546":"16451","S00018547":"13761","S00018548":"9579","S00018549":"13701","S00018550":"7966","S00018552":"11522","S00018553":"13457","S00018554":"13198","S00018555":"10348","S00018556":"12248","S00018558":"12178","S00018559":"12027","S00018561":"9403","S00018562":"11738","S00018563":"12243","S00018564":"16957","S00018565":"12573","S00018566":"14069","S00018567":"10598","S00018568":"13451","S00018569":"13644","S00018570":"10159","S00018571":"9263","S00018572":"11539","S00018573":"11699","S00018574":"10451","S00018575":"8060","S00018576":"17420","S00018577":"","S00018578":"12948","S00018579":"","S00018580":"13726","S00018581":"8665"},{"Metabolite":"1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"4833","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+","S00018536":"45036","S00018537":"42633","S00018538":"21359","S00018539":"46699","S00018540":"38420","S00018541":"44574","S00018542":"31368","S00018543":"29243","S00018544":"42825","S00018545":"32201","S00018546":"45100","S00018547":"50380","S00018548":"35214","S00018549":"27701","S00018550":"16501","S00018552":"20027","S00018553":"38818","S00018554":"55036","S00018555":"46406","S00018556":"23326","S00018558":"30275","S00018559":"39274","S00018561":"51017","S00018562":"39429","S00018563":"19978","S00018564":"10708","S00018565":"35671","S00018566":"22531","S00018567":"45988","S00018568":"60122","S00018569":"82202","S00018570":"54724","S00018571":"34213","S00018572":"52169","S00018573":"36509","S00018574":"34183","S00018575":"52720","S00018576":"18703","S00018577":"42463","S00018578":"38583","S00018579":"35102","S00018580":"78030","S00018581":"43776"},{"Metabolite":"10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+H)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"1974","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"1539","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"1419","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"7620","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"11-DEOXYCORTICOSTERONE (CAS# 64-85-7); (M+H)+","S00018536":"","S00018537":"","S00018538":"4827","S00018539":"6793","S00018540":"6087","S00018541":"7511","S00018542":"","S00018543":"","S00018544":"6076","S00018545":"6638","S00018546":"4237","S00018547":"","S00018548":"5943","S00018549":"","S00018550":"","S00018552":"","S00018553":"5376","S00018554":"","S00018555":"9271","S00018556":"5359","S00018558":"","S00018559":"","S00018561":"8204","S00018562":"","S00018563":"","S00018564":"","S00018565":"8293","S00018566":"8166","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"5271","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"11-DEOXYCORTISOL (CAS# 152-58-9); (M+H)+","S00018536":"86563","S00018537":"102535","S00018538":"61536","S00018539":"76754","S00018540":"99334","S00018541":"98082","S00018542":"73083","S00018543":"92806","S00018544":"68763","S00018545":"75882","S00018546":"99544","S00018547":"89432","S00018548":"83800","S00018549":"70628","S00018550":"51859","S00018552":"68329","S00018553":"80076","S00018554":"86149","S00018555":"137663","S00018556":"60558","S00018558":"67035","S00018559":"61576","S00018561":"92286","S00018562":"100573","S00018563":"116238","S00018564":"51142","S00018565":"87181","S00018566":"94651","S00018567":"90155","S00018568":"59051","S00018569":"79744","S00018570":"79447","S00018571":"82587","S00018572":"90438","S00018573":"79187","S00018574":"97486","S00018575":"114890","S00018576":"55965","S00018577":"104427","S00018578":"50160","S00018579":"121915","S00018580":"79287","S00018581":"63926"},{"Metabolite":"11-DEOXYCORTISOL (CAS# 152-58-9); (M+NA)+","S00018536":"281241","S00018537":"344554","S00018538":"202130","S00018539":"278814","S00018540":"331614","S00018541":"327436","S00018542":"252210","S00018543":"326555","S00018544":"230182","S00018545":"277067","S00018546":"348225","S00018547":"300959","S00018548":"290192","S00018549":"264637","S00018550":"194969","S00018552":"240361","S00018553":"292511","S00018554":"307199","S00018555":"460453","S00018556":"217857","S00018558":"256357","S00018559":"223161","S00018561":"366390","S00018562":"352826","S00018563":"385996","S00018564":"163684","S00018565":"306723","S00018566":"316373","S00018567":"294356","S00018568":"230746","S00018569":"311076","S00018570":"292849","S00018571":"314731","S00018572":"341944","S00018573":"316027","S00018574":"366538","S00018575":"416309","S00018576":"233149","S00018577":"410890","S00018578":"202737","S00018579":"448120","S00018580":"296068","S00018581":"236994"},{"Metabolite":"16:0 LYSO PC (CAS# 17364-16-8); (M+H)+","S00018536":"882522","S00018537":"730127","S00018538":"569092","S00018539":"771143","S00018540":"670372","S00018541":"849173","S00018542":"751867","S00018543":"570081","S00018544":"544936","S00018545":"620571","S00018546":"652398","S00018547":"597056","S00018548":"497811","S00018549":"344263","S00018550":"611844","S00018552":"395923","S00018553":"614206","S00018554":"278988","S00018555":"443562","S00018556":"213077","S00018558":"412190","S00018559":"514279","S00018561":"475990","S00018562":"671408","S00018563":"631644","S00018564":"310202","S00018565":"477827","S00018566":"406500","S00018567":"332007","S00018568":"392360","S00018569":"512121","S00018570":"339595","S00018571":"251441","S00018572":"260889","S00018573":"288771","S00018574":"117924","S00018575":"184039","S00018576":"248850","S00018577":"136527","S00018578":"142189","S00018579":"212609","S00018580":"94797","S00018581":"90940"},{"Metabolite":"16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+","S00018536":"10400000","S00018537":"10100000","S00018538":"9154990","S00018539":"10400000","S00018540":"9918685","S00018541":"10400000","S00018542":"10200000","S00018543":"9573407","S00018544":"9648211","S00018545":"9857884","S00018546":"10100000","S00018547":"9884444","S00018548":"9645488","S00018549":"8395490","S00018550":"9963053","S00018552":"8627657","S00018553":"10200000","S00018554":"7727693","S00018555":"9453408","S00018556":"6624987","S00018558":"9309904","S00018559":"9789469","S00018561":"9939003","S00018562":"10800000","S00018563":"10400000","S00018564":"7885429","S00018565":"9644368","S00018566":"1686513","S00018567":"8755219","S00018568":"9446131","S00018569":"10900000","S00018570":"9016464","S00018571":"8010530","S00018572":"8099376","S00018573":"8536364","S00018574":"5124926","S00018575":"6941433","S00018576":"7629819","S00018577":"681620","S00018578":"5723740","S00018579":"7387318","S00018580":"4322202","S00018581":"3857258"},{"Metabolite":"17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"1034","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"18:0 LYSO-PE (CAS# 69747-55-3); (2M+NA)+","S00018536":"2260","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"1392","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"8287","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"3309","S00018575":"","S00018576":"","S00018577":"","S00018578":"1859","S00018579":"","S00018580":"","S00018581":"1440"},{"Metabolite":"18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"1513","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+","S00018536":"5672","S00018537":"10377","S00018538":"","S00018539":"8807","S00018540":"14030","S00018541":"9838","S00018542":"7907","S00018543":"10640","S00018544":"11845","S00018545":"10333","S00018546":"11218","S00018547":"15444","S00018548":"6520","S00018549":"","S00018550":"2494","S00018552":"6766","S00018553":"3562","S00018554":"10231","S00018555":"9669","S00018556":"6089","S00018558":"8415","S00018559":"6820","S00018561":"5538","S00018562":"12866","S00018563":"21607","S00018564":"","S00018565":"12055","S00018566":"","S00018567":"12464","S00018568":"6586","S00018569":"8444","S00018570":"5330","S00018571":"","S00018572":"7157","S00018573":"29842","S00018574":"5437","S00018575":"6972","S00018576":"3508","S00018577":"2354","S00018578":"9062","S00018579":"7372","S00018580":"10958","S00018581":"11235"},{"Metabolite":"2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+","S00018536":"33225","S00018537":"","S00018538":"25577","S00018539":"","S00018540":"","S00018541":"37756","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"49497","S00018558":"49616","S00018559":"53468","S00018561":"35899","S00018562":"36596","S00018563":"35517","S00018564":"24522","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"38281","S00018571":"38583","S00018572":"38488","S00018573":"","S00018574":"25516","S00018575":"38442","S00018576":"25457","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"2-HYDROXYBUTYRATE (CAS# ); (M+NA)+","S00018536":"10739","S00018537":"13522","S00018538":"","S00018539":"13663","S00018540":"9673","S00018541":"7685","S00018542":"","S00018543":"8915","S00018544":"7927","S00018545":"6431","S00018546":"8348","S00018547":"6599","S00018548":"11035","S00018549":"6865","S00018550":"15798","S00018552":"15452","S00018553":"11051","S00018554":"5512","S00018555":"11068","S00018556":"10751","S00018558":"19319","S00018559":"22016","S00018561":"24416","S00018562":"16026","S00018563":"16980","S00018564":"","S00018565":"","S00018566":"10800","S00018567":"14787","S00018568":"15106","S00018569":"3046","S00018570":"20572","S00018571":"23012","S00018572":"25033","S00018573":"14755","S00018574":"23932","S00018575":"21094","S00018576":"11976","S00018577":"21331","S00018578":"21283","S00018579":"15610","S00018580":"12936","S00018581":"10972"},{"Metabolite":"2-METHOXYESTRADIOL (CAS# 362-07-2); (M+H)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"1692","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+","S00018536":"","S00018537":"9847","S00018538":"","S00018539":"7234","S00018540":"","S00018541":"25120","S00018542":"9716","S00018543":"8482","S00018544":"8504","S00018545":"9533","S00018546":"5771","S00018547":"15355","S00018548":"13049","S00018549":"7904","S00018550":"8461","S00018552":"","S00018553":"12023","S00018554":"","S00018555":"18900","S00018556":"10181","S00018558":"15892","S00018559":"10429","S00018561":"9983","S00018562":"14410","S00018563":"14502","S00018564":"14133","S00018565":"","S00018566":"4330","S00018567":"21897","S00018568":"16585","S00018569":"16052","S00018570":"","S00018571":"8535","S00018572":"15374","S00018573":"15205","S00018574":"","S00018575":"","S00018576":"","S00018577":"12251","S00018578":"7219","S00018579":"9212","S00018580":"","S00018581":"6790"},{"Metabolite":"2-METHYLMALEATE (CAS# 498-23-7); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"12675","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"8916","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"10678","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"6629","S00018578":"","S00018579":"","S00018580":"","S00018581":"8343"},{"Metabolite":"2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2O]","S00018536":"25002","S00018537":"24418","S00018538":"375599","S00018539":"23747","S00018540":"193875","S00018541":"24859","S00018542":"223961","S00018543":"27954","S00018544":"206255","S00018545":"188789","S00018546":"30289","S00018547":"33137","S00018548":"170075","S00018549":"27686","S00018550":"164777","S00018552":"180755","S00018553":"205635","S00018554":"","S00018555":"168875","S00018556":"169124","S00018558":"162151","S00018559":"175658","S00018561":"111781","S00018562":"150174","S00018563":"147423","S00018564":"321386","S00018565":"205467","S00018566":"253797","S00018567":"152565","S00018568":"188715","S00018569":"182894","S00018570":"153286","S00018571":"145789","S00018572":"124811","S00018573":"143112","S00018574":"2446","S00018575":"","S00018576":"194390","S00018577":"164017","S00018578":"172351","S00018579":"181655","S00018580":"129989","S00018581":"161368"},{"Metabolite":"20:0 LYSO PC (CAS# 108341-80-6); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"10209","S00018540":"","S00018541":"9231","S00018542":"7309","S00018543":"9784","S00018544":"","S00018545":"22662","S00018546":"4580","S00018547":"5660","S00018548":"","S00018549":"","S00018550":"7749","S00018552":"7081","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"6624","S00018566":"","S00018567":"","S00018568":"","S00018569":"9565","S00018570":"","S00018571":"7946","S00018572":"","S00018573":"8490","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"5747","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+","S00018536":"65811","S00018537":"75096","S00018538":"47115","S00018539":"105178","S00018540":"70043","S00018541":"92921","S00018542":"99419","S00018543":"72940","S00018544":"65843","S00018545":"76934","S00018546":"60299","S00018547":"76319","S00018548":"65834","S00018549":"70392","S00018550":"52713","S00018552":"8680","S00018553":"49161","S00018554":"47850","S00018555":"55758","S00018556":"35808","S00018558":"86515","S00018559":"93433","S00018561":"66980","S00018562":"66028","S00018563":"49985","S00018564":"20680","S00018565":"52964","S00018566":"50502","S00018567":"52357","S00018568":"64948","S00018569":"80033","S00018570":"71976","S00018571":"54383","S00018572":"69172","S00018573":"86577","S00018574":"42381","S00018575":"83877","S00018576":"35365","S00018577":"36134","S00018578":"65685","S00018579":"53344","S00018580":"76461","S00018581":"44539"},{"Metabolite":"24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"21372","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"14383","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+H)+","S00018536":"","S00018537":"","S00018538":"9844","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"3552","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M+H)+","S00018536":"","S00018537":"","S00018538":"1047","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O]","S00018536":"","S00018537":"","S00018538":"2552","S00018539":"","S00018540":"3651","S00018541":"","S00018542":"3359","S00018543":"9385","S00018544":"6680","S00018545":"","S00018546":"5146","S00018547":"5148","S00018548":"2597","S00018549":"9927","S00018550":"1176","S00018552":"","S00018553":"6785","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"2111","S00018561":"2726","S00018562":"","S00018563":"3859","S00018564":"2607","S00018565":"6475","S00018566":"3321","S00018567":"7121","S00018568":"7860","S00018569":"","S00018570":"","S00018571":"6173","S00018572":"3774","S00018573":"8149","S00018574":"4348","S00018575":"","S00018576":"5078","S00018577":"","S00018578":"3576","S00018579":"","S00018580":"1612","S00018581":""},{"Metabolite":"3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)+","S00018536":"9264","S00018537":"12780","S00018538":"","S00018539":"24828","S00018540":"","S00018541":"19265","S00018542":"19183","S00018543":"23191","S00018544":"14108","S00018545":"","S00018546":"","S00018547":"18984","S00018548":"15609","S00018549":"17646","S00018550":"30956","S00018552":"","S00018553":"29123","S00018554":"","S00018555":"","S00018556":"36103","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"32007","S00018564":"23002","S00018565":"32554","S00018566":"14089","S00018567":"33015","S00018568":"","S00018569":"6827","S00018570":"","S00018571":"8568","S00018572":"35477","S00018573":"5351","S00018574":"36922","S00018575":"29335","S00018576":"33177","S00018577":"","S00018578":"","S00018579":"19145","S00018580":"6372","S00018581":"25096"},{"Metabolite":"3-HYDROXYANTHRANILATE (CAS# 548-93-6); (M+H)+","S00018536":"2747","S00018537":"5472","S00018538":"2843","S00018539":"","S00018540":"","S00018541":"1615","S00018542":"","S00018543":"6182","S00018544":"7289","S00018545":"10211","S00018546":"7122","S00018547":"3353","S00018548":"","S00018549":"7109","S00018550":"","S00018552":"4272","S00018553":"","S00018554":"","S00018555":"5043","S00018556":"2929","S00018558":"","S00018559":"","S00018561":"3305","S00018562":"","S00018563":"3044","S00018564":"","S00018565":"7784","S00018566":"","S00018567":"7457","S00018568":"9628","S00018569":"12580","S00018570":"","S00018571":"","S00018572":"1702","S00018573":"2242","S00018574":"2716","S00018575":"2186","S00018576":"","S00018577":"7483","S00018578":"7461","S00018579":"14129","S00018580":"10792","S00018581":"6589"},{"Metabolite":"3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O]","S00018536":"53645","S00018537":"89667","S00018538":"86457","S00018539":"39954","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"59978","S00018545":"149824","S00018546":"86649","S00018547":"99053","S00018548":"","S00018549":"68378","S00018550":"","S00018552":"93728","S00018553":"121442","S00018554":"37877","S00018555":"52298","S00018556":"43731","S00018558":"38170","S00018559":"","S00018561":"28196","S00018562":"","S00018563":"40692","S00018564":"57107","S00018565":"60128","S00018566":"41799","S00018567":"106442","S00018568":"123130","S00018569":"113095","S00018570":"61372","S00018571":"","S00018572":"44244","S00018573":"48200","S00018574":"30554","S00018575":"","S00018576":"60386","S00018577":"58152","S00018578":"72410","S00018579":"","S00018580":"70515","S00018581":"98401"},{"Metabolite":"3-HYDROXYKYNURENINE (CAS# 2147-61-7); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"1882","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"3-METHOXYTYROSINE (CAS# 4214-13-5); (M+H)+","S00018536":"34820","S00018537":"21870","S00018538":"","S00018539":"19535","S00018540":"17003","S00018541":"15683","S00018542":"24022","S00018543":"13549","S00018544":"11913","S00018545":"23103","S00018546":"18359","S00018547":"12508","S00018548":"","S00018549":"16619","S00018550":"","S00018552":"21877","S00018553":"27855","S00018554":"13145","S00018555":"","S00018556":"18876","S00018558":"41193","S00018559":"31602","S00018561":"27726","S00018562":"15545","S00018563":"","S00018564":"10401","S00018565":"","S00018566":"","S00018567":"","S00018568":"25516","S00018569":"20207","S00018570":"","S00018571":"18854","S00018572":"","S00018573":"36850","S00018574":"14112","S00018575":"16911","S00018576":"22347","S00018577":"26439","S00018578":"26011","S00018579":"","S00018580":"23211","S00018581":"12426"},{"Metabolite":"3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+","S00018536":"","S00018537":"9847","S00018538":"","S00018539":"8141","S00018540":"","S00018541":"25120","S00018542":"9685","S00018543":"8482","S00018544":"7369","S00018545":"9533","S00018546":"6894","S00018547":"15355","S00018548":"13049","S00018549":"8823","S00018550":"8471","S00018552":"","S00018553":"12085","S00018554":"","S00018555":"18900","S00018556":"10165","S00018558":"15892","S00018559":"10429","S00018561":"9983","S00018562":"14410","S00018563":"14448","S00018564":"14133","S00018565":"","S00018566":"4330","S00018567":"21899","S00018568":"17721","S00018569":"17491","S00018570":"","S00018571":"9471","S00018572":"15374","S00018573":"15158","S00018574":"","S00018575":"","S00018576":"","S00018577":"12305","S00018578":"7192","S00018579":"9233","S00018580":"","S00018581":"6790"},{"Metabolite":"3-METHYL-2-BUTENAL (CAS# 107-86-8); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"1751","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+","S00018536":"10497","S00018537":"7365","S00018538":"6512","S00018539":"","S00018540":"9604","S00018541":"16280","S00018542":"","S00018543":"9625","S00018544":"","S00018545":"8815","S00018546":"","S00018547":"10996","S00018548":"7047","S00018549":"7589","S00018550":"3781","S00018552":"","S00018553":"9777","S00018554":"7930","S00018555":"9773","S00018556":"6130","S00018558":"","S00018559":"5755","S00018561":"5713","S00018562":"","S00018563":"15080","S00018564":"10560","S00018565":"7778","S00018566":"","S00018567":"7256","S00018568":"12162","S00018569":"8256","S00018570":"7255","S00018571":"3485","S00018572":"11112","S00018573":"6934","S00018574":"11502","S00018575":"8067","S00018576":"","S00018577":"3535","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"3-METHYLXANTHINE (CAS# 1076-22-8); (M+H)+","S00018536":"24250","S00018537":"28972","S00018538":"","S00018539":"11126","S00018540":"","S00018541":"24941","S00018542":"32095","S00018543":"26864","S00018544":"24419","S00018545":"31861","S00018546":"25755","S00018547":"40366","S00018548":"15902","S00018549":"","S00018550":"13205","S00018552":"","S00018553":"38471","S00018554":"17565","S00018555":"27148","S00018556":"16520","S00018558":"","S00018559":"22739","S00018561":"24651","S00018562":"25176","S00018563":"23778","S00018564":"","S00018565":"32283","S00018566":"17618","S00018567":"19822","S00018568":"31266","S00018569":"28198","S00018570":"","S00018571":"16053","S00018572":"27273","S00018573":"15897","S00018574":"15334","S00018575":"","S00018576":"13436","S00018577":"15348","S00018578":"19041","S00018579":"","S00018580":"20835","S00018581":"23883"},{"Metabolite":"3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"4468","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"3BETA-HYDROXYANDROST-5-EN-17-ONE (CAS# 53-43-0); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"1193","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"7446","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"6133","S00018568":"","S00018569":"","S00018570":"","S00018571":"9393","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+","S00018536":"20380","S00018537":"26311","S00018538":"12537","S00018539":"20681","S00018540":"16479","S00018541":"17531","S00018542":"17954","S00018543":"34332","S00018544":"27919","S00018545":"39043","S00018546":"28735","S00018547":"28534","S00018548":"13399","S00018549":"","S00018550":"13103","S00018552":"28686","S00018553":"30356","S00018554":"","S00018555":"29790","S00018556":"21315","S00018558":"16159","S00018559":"18621","S00018561":"24041","S00018562":"26547","S00018563":"24086","S00018564":"14841","S00018565":"21852","S00018566":"12631","S00018567":"26314","S00018568":"23115","S00018569":"33440","S00018570":"17281","S00018571":"21089","S00018572":"15676","S00018573":"26427","S00018574":"21506","S00018575":"15458","S00018576":"22205","S00018577":"26084","S00018578":"21789","S00018579":"33088","S00018580":"24448","S00018581":"29535"},{"Metabolite":"4-COUMARATE (CAS# 501-98-4); (M+H)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"1083","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"4-GUANIDINOBUTANOATE (CAS# 463-00-3 ); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"22329","S00018581":""},{"Metabolite":"4-HYDROXY-3-METHOXY-BENZENEMETHANOL (CAS# 498-00-0); (M+H)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"1574","S00018581":""},{"Metabolite":"4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4); (M+H)+[-H2O]","S00018536":"55820","S00018537":"75579","S00018538":"63174","S00018539":"45337","S00018540":"","S00018541":"","S00018542":"50699","S00018543":"24522","S00018544":"51637","S00018545":"78127","S00018546":"","S00018547":"48559","S00018548":"22911","S00018549":"43556","S00018550":"","S00018552":"","S00018553":"45848","S00018554":"45278","S00018555":"","S00018556":"48729","S00018558":"50956","S00018559":"45829","S00018561":"67633","S00018562":"24942","S00018563":"47292","S00018564":"76609","S00018565":"46600","S00018566":"","S00018567":"","S00018568":"47070","S00018569":"47971","S00018570":"22757","S00018571":"47186","S00018572":"","S00018573":"47368","S00018574":"26015","S00018575":"43961","S00018576":"46605","S00018577":"","S00018578":"25477","S00018579":"","S00018580":"73055","S00018581":"24039"},{"Metabolite":"4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M+H)+","S00018536":"4816","S00018537":"3221","S00018538":"","S00018539":"4338","S00018540":"4746","S00018541":"4727","S00018542":"5650","S00018543":"","S00018544":"4522","S00018545":"","S00018546":"7459","S00018547":"","S00018548":"6628","S00018549":"","S00018550":"6366","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"6634","S00018558":"19606","S00018559":"","S00018561":"2812","S00018562":"4582","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"7275","S00018569":"","S00018570":"","S00018571":"2591","S00018572":"3355","S00018573":"5276","S00018574":"4210","S00018575":"4604","S00018576":"","S00018577":"","S00018578":"7301","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"1122","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"12050","S00018545":"","S00018546":"7990","S00018547":"17851","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"9344","S00018558":"5281","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"2022","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M+NA)+","S00018536":"6964","S00018537":"","S00018538":"","S00018539":"2808","S00018540":"16482","S00018541":"6137","S00018542":"3174","S00018543":"1531","S00018544":"4577","S00018545":"12237","S00018546":"8203","S00018547":"15359","S00018548":"12199","S00018549":"3386","S00018550":"","S00018552":"6160","S00018553":"13872","S00018554":"10235","S00018555":"17206","S00018556":"","S00018558":"","S00018559":"13481","S00018561":"27338","S00018562":"26784","S00018563":"","S00018564":"","S00018565":"10484","S00018566":"","S00018567":"3420","S00018568":"13579","S00018569":"11522","S00018570":"","S00018571":"10105","S00018572":"2482","S00018573":"","S00018574":"11085","S00018575":"5193","S00018576":"","S00018577":"8677","S00018578":"","S00018579":"7742","S00018580":"","S00018581":""},{"Metabolite":"4-METHYLCATECHOL (CAS# 452-86-8); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"4145","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"1853","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"4-PYRIDOXATE (CAS# 82-82-6); (M+H)+","S00018536":"14153","S00018537":"61437","S00018538":"","S00018539":"27665","S00018540":"18775","S00018541":"31081","S00018542":"19423","S00018543":"30594","S00018544":"12050","S00018545":"39853","S00018546":"28232","S00018547":"26554","S00018548":"15524","S00018549":"","S00018550":"16484","S00018552":"59328","S00018553":"31338","S00018554":"","S00018555":"25411","S00018556":"15520","S00018558":"20534","S00018559":"18606","S00018561":"31465","S00018562":"26761","S00018563":"19792","S00018564":"6948","S00018565":"","S00018566":"","S00018567":"31037","S00018568":"27826","S00018569":"15920","S00018570":"27797","S00018571":"","S00018572":"22895","S00018573":"18347","S00018574":"25397","S00018575":"22314","S00018576":"10506","S00018577":"18481","S00018578":"13537","S00018579":"27924","S00018580":"13524","S00018581":"41748"},{"Metabolite":"4-PYRIDOXATE (CAS# 82-82-6); (M+H)+[-H2O]","S00018536":"21385","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"32095","S00018543":"34908","S00018544":"","S00018545":"45428","S00018546":"","S00018547":"","S00018548":"","S00018549":"5409","S00018550":"18047","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"11458","S00018567":"19822","S00018568":"31609","S00018569":"","S00018570":"","S00018571":"","S00018572":"27273","S00018573":"","S00018574":"","S00018575":"","S00018576":"13436","S00018577":"15348","S00018578":"","S00018579":"","S00018580":"24794","S00018581":""},{"Metabolite":"4-PYRIDOXATE (CAS# 82-82-6); (M+NA)+","S00018536":"1441","S00018537":"7087","S00018538":"","S00018539":"3019","S00018540":"","S00018541":"2016","S00018542":"1180","S00018543":"2440","S00018544":"","S00018545":"4321","S00018546":"2006","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"2723","S00018554":"","S00018555":"2053","S00018556":"1214","S00018558":"","S00018559":"","S00018561":"2625","S00018562":"","S00018563":"1220","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"2221","S00018569":"","S00018570":"2527","S00018571":"","S00018572":"2119","S00018573":"","S00018574":"","S00018575":"1579","S00018576":"","S00018577":"","S00018578":"","S00018579":"3533","S00018580":"1097","S00018581":"3816"},{"Metabolite":"4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M+H)+","S00018536":"50822","S00018537":"54129","S00018538":"70753","S00018539":"39390","S00018540":"36789","S00018541":"26570","S00018542":"70106","S00018543":"62433","S00018544":"48070","S00018545":"89520","S00018546":"44411","S00018547":"33001","S00018548":"20776","S00018549":"34236","S00018550":"17383","S00018552":"37436","S00018553":"31441","S00018554":"36329","S00018555":"28984","S00018556":"21983","S00018558":"35756","S00018559":"19638","S00018561":"34291","S00018562":"22788","S00018563":"22324","S00018564":"32271","S00018565":"78208","S00018566":"21563","S00018567":"49426","S00018568":"77100","S00018569":"","S00018570":"27458","S00018571":"21970","S00018572":"32661","S00018573":"15645","S00018574":"26487","S00018575":"24420","S00018576":"39061","S00018577":"37687","S00018578":"44812","S00018579":"54779","S00018580":"33114","S00018581":"55697"},{"Metabolite":"5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+","S00018536":"","S00018537":"19117","S00018538":"6214","S00018539":"12478","S00018540":"","S00018541":"12251","S00018542":"17431","S00018543":"27255","S00018544":"25220","S00018545":"25701","S00018546":"16907","S00018547":"17703","S00018548":"10431","S00018549":"19000","S00018550":"13506","S00018552":"34391","S00018553":"27306","S00018554":"17480","S00018555":"19292","S00018556":"16876","S00018558":"","S00018559":"6618","S00018561":"","S00018562":"","S00018563":"","S00018564":"2994","S00018565":"23348","S00018566":"16861","S00018567":"18668","S00018568":"16685","S00018569":"17985","S00018570":"15705","S00018571":"11812","S00018572":"18914","S00018573":"14734","S00018574":"","S00018575":"10968","S00018576":"15261","S00018577":"28453","S00018578":"18167","S00018579":"28333","S00018580":"24369","S00018581":"33338"},{"Metabolite":"5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+","S00018536":"","S00018537":"1676","S00018538":"","S00018539":"1579","S00018540":"","S00018541":"1525","S00018542":"2033","S00018543":"3591","S00018544":"2613","S00018545":"3649","S00018546":"2165","S00018547":"1677","S00018548":"1593","S00018549":"3356","S00018550":"1939","S00018552":"4946","S00018553":"4135","S00018554":"2466","S00018555":"1482","S00018556":"2410","S00018558":"","S00018559":"","S00018561":"","S00018562":"1334","S00018563":"","S00018564":"","S00018565":"3024","S00018566":"","S00018567":"2154","S00018568":"2189","S00018569":"","S00018570":"","S00018571":"1335","S00018572":"1981","S00018573":"1354","S00018574":"","S00018575":"1683","S00018576":"2140","S00018577":"3633","S00018578":"2751","S00018579":"","S00018580":"3707","S00018581":"5478"},{"Metabolite":"5-AMINOLEVULINATE (CAS# 106-60-5); (M+H)+","S00018536":"4816","S00018537":"4244","S00018538":"","S00018539":"4338","S00018540":"4746","S00018541":"4727","S00018542":"5650","S00018543":"","S00018544":"5923","S00018545":"","S00018546":"7459","S00018547":"","S00018548":"6628","S00018549":"","S00018550":"6366","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"6634","S00018558":"19606","S00018559":"","S00018561":"3816","S00018562":"4582","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"7275","S00018569":"","S00018570":"","S00018571":"2591","S00018572":"3355","S00018573":"5276","S00018574":"4210","S00018575":"4604","S00018576":"","S00018577":"17538","S00018578":"7301","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"5-AMINOLEVULINATE (CAS# 106-60-5); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"1758","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"1408","S00018556":"","S00018558":"","S00018559":"1667","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+","S00018536":"3438567","S00018537":"1824561","S00018538":"9672579","S00018539":"1666623","S00018540":"2966800","S00018541":"1391895","S00018542":"5941097","S00018543":"2146953","S00018544":"2138689","S00018545":"1822281","S00018546":"2324155","S00018547":"2491065","S00018548":"1220451","S00018549":"170249","S00018550":"1121643","S00018552":"5747136","S00018553":"2234623","S00018554":"5071092","S00018555":"3581286","S00018556":"1515330","S00018558":"2223710","S00018559":"3527484","S00018561":"2885748","S00018562":"2169640","S00018563":"2854096","S00018564":"7572000","S00018565":"3791807","S00018566":"1524128","S00018567":"1187495","S00018568":"1576969","S00018569":"1294383","S00018570":"1011710","S00018571":"1795050","S00018572":"3435152","S00018573":"2574831","S00018574":"2316087","S00018575":"2701964","S00018576":"1635530","S00018577":"1397689","S00018578":"1316214","S00018579":"1357556","S00018580":"1144246","S00018581":"927753"},{"Metabolite":"5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"1189","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M+H)+","S00018536":"","S00018537":"59664","S00018538":"","S00018539":"","S00018540":"116983","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"25131","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"105398","S00018563":"101380","S00018564":"","S00018565":"327224","S00018566":"","S00018567":"86788","S00018568":"87606","S00018569":"","S00018570":"","S00018571":"","S00018572":"156262","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"5-METHYLCYTOSINE (CAS# 554-01-8); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"5798","S00018540":"4784","S00018541":"","S00018542":"","S00018543":"2188","S00018544":"","S00018545":"","S00018546":"4364","S00018547":"2927","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"5624","S00018558":"","S00018559":"","S00018561":"","S00018562":"6333","S00018563":"","S00018564":"11568","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"6463","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"5-OXOPROLINE (CAS# 4042-36-8); (M+H)+","S00018536":"4636042","S00018537":"3230677","S00018538":"4412983","S00018539":"3239999","S00018540":"5843250","S00018541":"5831525","S00018542":"2679414","S00018543":"4985882","S00018544":"4793239","S00018545":"2542804","S00018546":"4729945","S00018547":"2993078","S00018548":"","S00018549":"2467686","S00018550":"2410625","S00018552":"2938563","S00018553":"2615394","S00018554":"2108063","S00018555":"4972061","S00018556":"3759605","S00018558":"3561522","S00018559":"7012885","S00018561":"4327025","S00018562":"3937032","S00018563":"6381262","S00018564":"2015190","S00018565":"2821405","S00018566":"2263651","S00018567":"2680003","S00018568":"3033145","S00018569":"3025824","S00018570":"2898742","S00018571":"3143652","S00018572":"3334991","S00018573":"6978877","S00018574":"3737294","S00018575":"6274725","S00018576":"2354825","S00018577":"5232906","S00018578":"5187981","S00018579":"2993633","S00018580":"2781365","S00018581":"4748850"},{"Metabolite":"5-OXOPROLINE (CAS# 4042-36-8); (M+NA)+","S00018536":"444641","S00018537":"212412","S00018538":"","S00018539":"226876","S00018540":"219104","S00018541":"220789","S00018542":"163377","S00018543":"192699","S00018544":"176284","S00018545":"174526","S00018546":"","S00018547":"175849","S00018548":"142787","S00018549":"139312","S00018550":"128879","S00018552":"425637","S00018553":"137744","S00018554":"108404","S00018555":"485073","S00018556":"","S00018558":"284337","S00018559":"294464","S00018561":"303221","S00018562":"272187","S00018563":"226025","S00018564":"","S00018565":"","S00018566":"","S00018567":"129311","S00018568":"110393","S00018569":"170152","S00018570":"211613","S00018571":"405186","S00018572":"235202","S00018573":"271954","S00018574":"","S00018575":"235272","S00018576":"","S00018577":"179640","S00018578":"399794","S00018579":"152772","S00018580":"183490","S00018581":"161158"},{"Metabolite":"5-VALEROLACTONE (CAS# 542-28-9); (M+H)+","S00018536":"","S00018537":"2579","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"2620","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"2450","S00018549":"","S00018550":"","S00018552":"3481","S00018553":"","S00018554":"2413","S00018555":"","S00018556":"","S00018558":"","S00018559":"2104","S00018561":"","S00018562":"3476","S00018563":"","S00018564":"","S00018565":"5034","S00018566":"","S00018567":"1270","S00018568":"2688","S00018569":"","S00018570":"","S00018571":"2717","S00018572":"","S00018573":"","S00018574":"7943","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":"4022"},{"Metabolite":"5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)+[-H2O]","S00018536":"91437","S00018537":"69166","S00018538":"67082","S00018539":"81240","S00018540":"61986","S00018541":"112560","S00018542":"98103","S00018543":"52450","S00018544":"92778","S00018545":"82432","S00018546":"104878","S00018547":"96163","S00018548":"85999","S00018549":"50733","S00018550":"47230","S00018552":"57884","S00018553":"88869","S00018554":"48012","S00018555":"81547","S00018556":"66057","S00018558":"55044","S00018559":"86169","S00018561":"99013","S00018562":"87420","S00018563":"43615","S00018564":"25647","S00018565":"50979","S00018566":"53550","S00018567":"34583","S00018568":"82015","S00018569":"162638","S00018570":"43969","S00018571":"51023","S00018572":"68962","S00018573":"63741","S00018574":"46483","S00018575":"52935","S00018576":"53629","S00018577":"50278","S00018578":"43063","S00018579":"77154","S00018580":"64546","S00018581":"59269"},{"Metabolite":"6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+","S00018536":"10497","S00018537":"7365","S00018538":"6512","S00018539":"","S00018540":"9604","S00018541":"16280","S00018542":"","S00018543":"9625","S00018544":"","S00018545":"8815","S00018546":"","S00018547":"10996","S00018548":"7047","S00018549":"7589","S00018550":"3781","S00018552":"","S00018553":"9777","S00018554":"7930","S00018555":"9773","S00018556":"6130","S00018558":"2683","S00018559":"6740","S00018561":"5713","S00018562":"","S00018563":"15080","S00018564":"10560","S00018565":"6078","S00018566":"","S00018567":"7256","S00018568":"12162","S00018569":"8256","S00018570":"7255","S00018571":"3485","S00018572":"11112","S00018573":"6934","S00018574":"11502","S00018575":"8067","S00018576":"","S00018577":"3535","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"6-HYDROXYDOPAMINE (CAS# 0); (2M+H)+[-H2O]","S00018536":"3950","S00018537":"2424","S00018538":"3662","S00018539":"4024","S00018540":"","S00018541":"","S00018542":"","S00018543":"7389","S00018544":"5922","S00018545":"3348","S00018546":"3925","S00018547":"3671","S00018548":"","S00018549":"5989","S00018550":"","S00018552":"6210","S00018553":"6512","S00018554":"3341","S00018555":"3958","S00018556":"5725","S00018558":"3380","S00018559":"4006","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"3556","S00018570":"1110","S00018571":"","S00018572":"","S00018573":"3224","S00018574":"6297","S00018575":"","S00018576":"3833","S00018577":"","S00018578":"4937","S00018579":"5672","S00018580":"3921","S00018581":""},{"Metabolite":"ABRINE (CAS# 526-31-8); (M+H)+","S00018536":"","S00018537":"1065","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"1677","S00018543":"3880","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"1981","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"1153","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"2509","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"1397","S00018558":"3228","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"2756","S00018568":"","S00018569":"1222","S00018570":"","S00018571":"","S00018572":"2589","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ACETOACETATE (CAS# 541-50-4); (M+H)+","S00018536":"","S00018537":"4173","S00018538":"","S00018539":"3331","S00018540":"4422","S00018541":"","S00018542":"3518","S00018543":"","S00018544":"","S00018545":"3285","S00018546":"","S00018547":"","S00018548":"","S00018549":"3032","S00018550":"5014","S00018552":"","S00018553":"","S00018554":"3292","S00018555":"1729","S00018556":"3633","S00018558":"3595","S00018559":"2906","S00018561":"4809","S00018562":"","S00018563":"","S00018564":"4533","S00018565":"3555","S00018566":"","S00018567":"","S00018568":"","S00018569":"5543","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"3680","S00018576":"5350","S00018577":"","S00018578":"","S00018579":"4912","S00018580":"","S00018581":"3590"},{"Metabolite":"ACETYLCARNITINE (CAS# 461-77-8); (M+H)+","S00018536":"5589","S00018537":"1489","S00018538":"","S00018539":"","S00018540":"","S00018541":"39329","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"2035","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"4944","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ACETYLCHOLINE (CAS# 51-84-3); M+","S00018536":"3127","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ADENINE (CAS# 73-24-5); (M+H)+","S00018536":"","S00018537":"16924","S00018538":"","S00018539":"","S00018540":"12454","S00018541":"","S00018542":"","S00018543":"3997","S00018544":"7996","S00018545":"14089","S00018546":"4595","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"3688","S00018553":"9105","S00018554":"","S00018555":"","S00018556":"3976","S00018558":"","S00018559":"","S00018561":"6444","S00018562":"7236","S00018563":"12482","S00018564":"","S00018565":"4306","S00018566":"2663","S00018567":"4994","S00018568":"","S00018569":"","S00018570":"","S00018571":"7138","S00018572":"","S00018573":"14368","S00018574":"3712","S00018575":"3018","S00018576":"2252","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ADENOSINE (CAS# 58-61-7); (M+H)+","S00018536":"5505","S00018537":"10250","S00018538":"","S00018539":"8777","S00018540":"12314","S00018541":"9384","S00018542":"7907","S00018543":"10617","S00018544":"11845","S00018545":"10311","S00018546":"9881","S00018547":"13700","S00018548":"6281","S00018549":"","S00018550":"2339","S00018552":"6766","S00018553":"2672","S00018554":"10231","S00018555":"9669","S00018556":"5803","S00018558":"6333","S00018559":"6760","S00018561":"5538","S00018562":"12802","S00018563":"21574","S00018564":"","S00018565":"11475","S00018566":"","S00018567":"12464","S00018568":"6586","S00018569":"8444","S00018570":"5250","S00018571":"","S00018572":"7065","S00018573":"29842","S00018574":"5371","S00018575":"6708","S00018576":"3508","S00018577":"3098","S00018578":"8690","S00018579":"7211","S00018580":"10583","S00018581":"9728"},{"Metabolite":"ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"1793","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"2534","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ADENOSINE 5'-PHOSPHOSULFATE (CAS# 485-84-7); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"1016","S00018540":"","S00018541":"1308","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"1205","S00018547":"1066","S00018548":"","S00018549":"","S00018550":"1114","S00018552":"","S00018553":"1321","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"1228","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+","S00018536":"","S00018537":"9847","S00018538":"","S00018539":"8141","S00018540":"","S00018541":"25120","S00018542":"9685","S00018543":"8482","S00018544":"7369","S00018545":"9533","S00018546":"6894","S00018547":"15355","S00018548":"12163","S00018549":"8823","S00018550":"8471","S00018552":"","S00018553":"12085","S00018554":"","S00018555":"18900","S00018556":"10165","S00018558":"15892","S00018559":"10429","S00018561":"9983","S00018562":"14410","S00018563":"14448","S00018564":"14133","S00018565":"","S00018566":"4330","S00018567":"21899","S00018568":"17721","S00018569":"17491","S00018570":"","S00018571":"9471","S00018572":"15374","S00018573":"15158","S00018574":"","S00018575":"","S00018576":"","S00018577":"12305","S00018578":"7275","S00018579":"9233","S00018580":"","S00018581":"6790"},{"Metabolite":"AHBA (CAS# 76045-71-1); (M+H)+","S00018536":"","S00018537":"","S00018538":"1047","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ALANINE (CAS# 56-41-7); (M+H)+","S00018536":"","S00018537":"12780","S00018538":"6946","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"21917","S00018544":"11142","S00018545":"6360","S00018546":"8625","S00018547":"25853","S00018548":"","S00018549":"","S00018550":"6604","S00018552":"","S00018553":"","S00018554":"8886","S00018555":"23224","S00018556":"","S00018558":"1872","S00018559":"","S00018561":"8601","S00018562":"7986","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"7343","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ALDOSTERONE (CAS# 52-39-1); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"2062","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"2080","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ALDOSTERONE (CAS# 52-39-1); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"1724","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"3450","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ALLANTOIN (CAS# 97-59-6); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"13948","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ALLOSE (CAS# 2595-97-3); (M+H)+[-H2O]","S00018536":"9264","S00018537":"12780","S00018538":"","S00018539":"24828","S00018540":"","S00018541":"19265","S00018542":"19183","S00018543":"23191","S00018544":"14108","S00018545":"40075","S00018546":"20628","S00018547":"18984","S00018548":"15609","S00018549":"17646","S00018550":"30956","S00018552":"","S00018553":"29123","S00018554":"","S00018555":"","S00018556":"36103","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"32007","S00018564":"23002","S00018565":"32554","S00018566":"14089","S00018567":"33015","S00018568":"","S00018569":"6827","S00018570":"","S00018571":"8568","S00018572":"35477","S00018573":"5351","S00018574":"36922","S00018575":"29335","S00018576":"33177","S00018577":"","S00018578":"","S00018579":"19145","S00018580":"6372","S00018581":"25096"},{"Metabolite":"ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"2666","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M+H)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"4780","S00018581":""},{"Metabolite":"ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+","S00018536":"65185","S00018537":"65412","S00018538":"83019","S00018539":"79986","S00018540":"","S00018541":"60634","S00018542":"67175","S00018543":"80739","S00018544":"80297","S00018545":"83584","S00018546":"60354","S00018547":"","S00018548":"99089","S00018549":"93528","S00018550":"81154","S00018552":"109532","S00018553":"75374","S00018554":"94724","S00018555":"103220","S00018556":"118197","S00018558":"106015","S00018559":"99235","S00018561":"102720","S00018562":"103109","S00018563":"119569","S00018564":"","S00018565":"115340","S00018566":"119213","S00018567":"111918","S00018568":"98904","S00018569":"117031","S00018570":"122335","S00018571":"128990","S00018572":"141761","S00018573":"136273","S00018574":"203019","S00018575":"168779","S00018576":"140369","S00018577":"143633","S00018578":"136608","S00018579":"170730","S00018580":"164538","S00018581":"130090"},{"Metabolite":"ALPHA-TOCOPHEROL (CAS# 59-02-9); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"2703","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ARABINOSE (CAS# 147-81-9); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"4846","S00018544":"","S00018545":"","S00018546":"","S00018547":"4901","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"3471","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"3591","S00018566":"","S00018567":"","S00018568":"4134","S00018569":"4277","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"5400","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ARACHIDONYLCARNITINE (*) (CAS# 000-00-0); M+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"2501","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ASPARAGINE (CAS# 70-47-3); (M+NA)+","S00018536":"14705","S00018537":"","S00018538":"8483","S00018539":"","S00018540":"","S00018541":"10983","S00018542":"10834","S00018543":"","S00018544":"16320","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"9519","S00018552":"15657","S00018553":"12776","S00018554":"","S00018555":"9858","S00018556":"9697","S00018558":"9471","S00018559":"","S00018561":"8206","S00018562":"10583","S00018563":"8222","S00018564":"","S00018565":"","S00018566":"","S00018567":"12794","S00018568":"10958","S00018569":"12324","S00018570":"12010","S00018571":"10190","S00018572":"","S00018573":"11612","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"13784","S00018580":"11007","S00018581":"7888"},{"Metabolite":"ASPARTATE (CAS# 56-84-8); (M+H)+","S00018536":"","S00018537":"","S00018538":"20783","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ASPARTATE (CAS# 56-84-8); (M+NA)+","S00018536":"","S00018537":"","S00018538":"1059","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"AZELAIC ACID (CAS# 123-99-9); (M+H)+[-H2O]","S00018536":"","S00018537":"5598","S00018538":"3381","S00018539":"","S00018540":"","S00018541":"6409","S00018542":"4760","S00018543":"4610","S00018544":"4045","S00018545":"","S00018546":"4757","S00018547":"3793","S00018548":"3567","S00018549":"4066","S00018550":"","S00018552":"","S00018553":"5663","S00018554":"3504","S00018555":"4128","S00018556":"","S00018558":"","S00018559":"4164","S00018561":"4650","S00018562":"7243","S00018563":"8869","S00018564":"3365","S00018565":"4159","S00018566":"1669","S00018567":"","S00018568":"5736","S00018569":"4773","S00018570":"","S00018571":"","S00018572":"","S00018573":"6290","S00018574":"","S00018575":"2760","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"4973","S00018581":""},{"Metabolite":"AZELAIC ACID (CAS# 123-99-9); (M+NA)+","S00018536":"59258","S00018537":"55956","S00018538":"30604","S00018539":"40068","S00018540":"57033","S00018541":"78438","S00018542":"55558","S00018543":"","S00018544":"45553","S00018545":"","S00018546":"33687","S00018547":"52327","S00018548":"40560","S00018549":"58652","S00018550":"40993","S00018552":"","S00018553":"53602","S00018554":"49853","S00018555":"51872","S00018556":"35107","S00018558":"53635","S00018559":"49623","S00018561":"67049","S00018562":"70607","S00018563":"100623","S00018564":"48014","S00018565":"56159","S00018566":"31373","S00018567":"61112","S00018568":"62797","S00018569":"63353","S00018570":"48787","S00018571":"29415","S00018572":"57109","S00018573":"81960","S00018574":"62801","S00018575":"36518","S00018576":"21869","S00018577":"29819","S00018578":"40528","S00018579":"29956","S00018580":"57437","S00018581":"43157"},{"Metabolite":"BENZOATE (CAS# 65-85-0); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"1772","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"BETA-ALANINE (CAS# 107-95-9); (M+H)+","S00018536":"53232","S00018537":"60682","S00018538":"46363","S00018539":"56562","S00018540":"45245","S00018541":"44838","S00018542":"51678","S00018543":"39267","S00018544":"38241","S00018545":"37587","S00018546":"37375","S00018547":"56359","S00018548":"24235","S00018549":"40841","S00018550":"38641","S00018552":"30678","S00018553":"33720","S00018554":"46225","S00018555":"46224","S00018556":"44580","S00018558":"47862","S00018559":"33424","S00018561":"36179","S00018562":"38169","S00018563":"43274","S00018564":"38943","S00018565":"46810","S00018566":"46852","S00018567":"42021","S00018568":"26248","S00018569":"25906","S00018570":"69328","S00018571":"55162","S00018572":"26577","S00018573":"38283","S00018574":"38566","S00018575":"28740","S00018576":"51261","S00018577":"36953","S00018578":"27848","S00018579":"35255","S00018580":"22036","S00018581":"35772"},{"Metabolite":"BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85-0); (M+H)+","S00018536":"","S00018537":"2278","S00018538":"","S00018539":"2469","S00018540":"","S00018541":"","S00018542":"2103","S00018543":"3969","S00018544":"","S00018545":"","S00018546":"1650","S00018547":"5736","S00018548":"","S00018549":"","S00018550":"","S00018552":"1640","S00018553":"","S00018554":"","S00018555":"2410","S00018556":"5422","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"2076","S00018565":"3690","S00018566":"2023","S00018567":"4745","S00018568":"2556","S00018569":"","S00018570":"","S00018571":"2273","S00018572":"","S00018573":"","S00018574":"1249","S00018575":"","S00018576":"3123","S00018577":"2182","S00018578":"","S00018579":"2265","S00018580":"","S00018581":"3305"},{"Metabolite":"BETA-MALTOSE (CAS# 69-79-4); (M+NA)+","S00018536":"63784","S00018537":"29287","S00018538":"19931","S00018539":"33129","S00018540":"25233","S00018541":"37427","S00018542":"39437","S00018543":"30867","S00018544":"38334","S00018545":"32241","S00018546":"42080","S00018547":"38858","S00018548":"27870","S00018549":"22333","S00018550":"23922","S00018552":"14456","S00018553":"30347","S00018554":"30529","S00018555":"31600","S00018556":"26390","S00018558":"18795","S00018559":"15021","S00018561":"15967","S00018562":"23477","S00018563":"17630","S00018564":"24044","S00018565":"32464","S00018566":"19201","S00018567":"31439","S00018568":"26417","S00018569":"25275","S00018570":"27147","S00018571":"24559","S00018572":"35329","S00018573":"65496","S00018574":"20085","S00018575":"17069","S00018576":"25247","S00018577":"26374","S00018578":"22156","S00018579":"26551","S00018580":"78188","S00018581":"19518"},{"Metabolite":"BETAINE (CAS# 107-43-7); (M+H)+","S00018536":"3438001","S00018537":"1823019","S00018538":"9672579","S00018539":"1629827","S00018540":"2966649","S00018541":"1391973","S00018542":"5919869","S00018543":"2146953","S00018544":"2022469","S00018545":"1823579","S00018546":"2073998","S00018547":"2491065","S00018548":"721339","S00018549":"170249","S00018550":"1121643","S00018552":"5732234","S00018553":"2163050","S00018554":"4817231","S00018555":"3581286","S00018556":"1450141","S00018558":"2223710","S00018559":"3520648","S00018561":"2885748","S00018562":"2121514","S00018563":"2854096","S00018564":"7572000","S00018565":"3474356","S00018566":"1524128","S00018567":"1188848","S00018568":"1498856","S00018569":"1292844","S00018570":"1011710","S00018571":"1827046","S00018572":"3436248","S00018573":"2574831","S00018574":"2271116","S00018575":"2701964","S00018576":"1569090","S00018577":"1399250","S00018578":"1316214","S00018579":"1312463","S00018580":"1144246","S00018581":"1536320"},{"Metabolite":"BETAINE (CAS# 107-43-7); (M+NA)+","S00018536":"403414","S00018537":"20463","S00018538":"18623","S00018539":"25544","S00018540":"","S00018541":"","S00018542":"25304","S00018543":"24732","S00018544":"26322","S00018545":"31141","S00018546":"211614","S00018547":"24999","S00018548":"51994","S00018549":"","S00018550":"65081","S00018552":"22288","S00018553":"22652","S00018554":"20841","S00018555":"22098","S00018556":"20642","S00018558":"28909","S00018559":"26836","S00018561":"27176","S00018562":"26490","S00018563":"24847","S00018564":"32194","S00018565":"34315","S00018566":"25652","S00018567":"24619","S00018568":"26082","S00018569":"34826","S00018570":"229406","S00018571":"","S00018572":"218156","S00018573":"","S00018574":"25315","S00018575":"28977","S00018576":"23409","S00018577":"41443","S00018578":"35277","S00018579":"28287","S00018580":"38940","S00018581":""},{"Metabolite":"BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+","S00018536":"4750","S00018537":"5056","S00018538":"3104","S00018539":"5508","S00018540":"5251","S00018541":"5268","S00018542":"5760","S00018543":"4877","S00018544":"5086","S00018545":"5554","S00018546":"6157","S00018547":"5597","S00018548":"4750","S00018549":"6042","S00018550":"4174","S00018552":"3394","S00018553":"5601","S00018554":"5436","S00018555":"5843","S00018556":"2909","S00018558":"2813","S00018559":"6478","S00018561":"5135","S00018562":"4884","S00018563":"5025","S00018564":"3658","S00018565":"4221","S00018566":"5256","S00018567":"4939","S00018568":"6133","S00018569":"6303","S00018570":"5806","S00018571":"5954","S00018572":"6836","S00018573":"5351","S00018574":"6176","S00018575":"6466","S00018576":"6204","S00018577":"6334","S00018578":"6692","S00018579":"6883","S00018580":"6335","S00018581":"5742"},{"Metabolite":"BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)+","S00018536":"291012","S00018537":"346489","S00018538":"333034","S00018539":"350102","S00018540":"309251","S00018541":"332963","S00018542":"337016","S00018543":"253538","S00018544":"381252","S00018545":"367850","S00018546":"381744","S00018547":"372853","S00018548":"398474","S00018549":"396841","S00018550":"311368","S00018552":"419325","S00018553":"361413","S00018554":"392660","S00018555":"460611","S00018556":"428965","S00018558":"433986","S00018559":"454908","S00018561":"437418","S00018562":"384102","S00018563":"339309","S00018564":"343429","S00018565":"348621","S00018566":"391977","S00018567":"390168","S00018568":"444902","S00018569":"478757","S00018570":"444040","S00018571":"475187","S00018572":"505306","S00018573":"473735","S00018574":"553388","S00018575":"490295","S00018576":"470070","S00018577":"509827","S00018578":"511354","S00018579":"589978","S00018580":"508888","S00018581":"345817"},{"Metabolite":"BIURET (CAS# 108-19-0); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"2578","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"1036","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"BUTYRYLCARNITINE (*) (CAS# 25576-40-3); (M+H)+","S00018536":"605482","S00018537":"478229","S00018538":"496253","S00018539":"619301","S00018540":"219596","S00018541":"416995","S00018542":"735513","S00018543":"272429","S00018544":"662097","S00018545":"951504","S00018546":"677067","S00018547":"695867","S00018548":"154543","S00018549":"193452","S00018550":"266090","S00018552":"164469","S00018553":"223183","S00018554":"199013","S00018555":"286253","S00018556":"308865","S00018558":"118350","S00018559":"219438","S00018561":"129545","S00018562":"142705","S00018563":"191251","S00018564":"171305","S00018565":"359522","S00018566":"360405","S00018567":"274777","S00018568":"163780","S00018569":"189699","S00018570":"191348","S00018571":"98830","S00018572":"121287","S00018573":"145785","S00018574":"114125","S00018575":"67024","S00018576":"299899","S00018577":"115588","S00018578":"117983","S00018579":"233868","S00018580":"411301","S00018581":"156226"},{"Metabolite":"C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"1173","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+NA)+","S00018536":"19712","S00018537":"28952","S00018538":"7346","S00018539":"11716","S00018540":"58949","S00018541":"","S00018542":"15625","S00018543":"13810","S00018544":"20954","S00018545":"16584","S00018546":"","S00018547":"14070","S00018548":"25815","S00018549":"14733","S00018550":"14128","S00018552":"","S00018553":"13041","S00018554":"26153","S00018555":"21082","S00018556":"","S00018558":"16185","S00018559":"11121","S00018561":"45159","S00018562":"26514","S00018563":"60480","S00018564":"","S00018565":"41434","S00018566":"9667","S00018567":"48066","S00018568":"32799","S00018569":"25610","S00018570":"52218","S00018571":"","S00018572":"","S00018573":"22292","S00018574":"","S00018575":"33804","S00018576":"","S00018577":"","S00018578":"13640","S00018579":"","S00018580":"36493","S00018581":""},{"Metabolite":"CAFFEINE (CAS# 58-08-2); (M+NA)+","S00018536":"4379","S00018537":"16072","S00018538":"15572","S00018539":"9705","S00018540":"6294","S00018541":"8332","S00018542":"","S00018543":"19933","S00018544":"","S00018545":"5393","S00018546":"1829","S00018547":"8886","S00018548":"","S00018549":"25926","S00018550":"","S00018552":"37075","S00018553":"27297","S00018554":"8173","S00018555":"9580","S00018556":"","S00018558":"9548","S00018559":"","S00018561":"14018","S00018562":"10286","S00018563":"3680","S00018564":"17997","S00018565":"13802","S00018566":"2806","S00018567":"12608","S00018568":"2515","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"5285","S00018576":"3670","S00018577":"2037","S00018578":"","S00018579":"3300","S00018580":"","S00018581":"4990"},{"Metabolite":"CARNITINE (CAS# 541-15-1); (M+H)+","S00018536":"5431580","S00018537":"5015001","S00018538":"","S00018539":"5526558","S00018540":"4302806","S00018541":"1504168","S00018542":"3479446","S00018543":"3397256","S00018544":"3666744","S00018545":"256747","S00018546":"","S00018547":"","S00018548":"3451286","S00018549":"3616354","S00018550":"628805","S00018552":"","S00018553":"","S00018554":"452391","S00018555":"3748575","S00018556":"","S00018558":"547115","S00018559":"5563664","S00018561":"5285040","S00018562":"4877140","S00018563":"4320209","S00018564":"392395","S00018565":"2831559","S00018566":"2783562","S00018567":"424061","S00018568":"2157102","S00018569":"2293222","S00018570":"5513637","S00018571":"4092419","S00018572":"4292567","S00018573":"5108594","S00018574":"4585165","S00018575":"3876937","S00018576":"2865337","S00018577":"2276196","S00018578":"2417150","S00018579":"267831","S00018580":"246851","S00018581":"2520647"},{"Metabolite":"CARNOSINE (CAS# 305-84-0); (M+H)+","S00018536":"","S00018537":"2151","S00018538":"3141","S00018539":"1761","S00018540":"1207","S00018541":"","S00018542":"1610","S00018543":"","S00018544":"1921","S00018545":"2308","S00018546":"2331","S00018547":"2741","S00018548":"","S00018549":"","S00018550":"","S00018552":"1641","S00018553":"1887","S00018554":"","S00018555":"1208","S00018556":"1839","S00018558":"","S00018559":"","S00018561":"1675","S00018562":"","S00018563":"1369","S00018564":"4765","S00018565":"2871","S00018566":"","S00018567":"","S00018568":"1653","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"1708","S00018577":"1609","S00018578":"2031","S00018579":"2610","S00018580":"","S00018581":"1558"},{"Metabolite":"CELLOBIOSE (CAS# 528-50-7); (M+NA)+","S00018536":"63784","S00018537":"29287","S00018538":"19931","S00018539":"33129","S00018540":"25233","S00018541":"37427","S00018542":"39437","S00018543":"30867","S00018544":"38334","S00018545":"32241","S00018546":"42080","S00018547":"38858","S00018548":"27870","S00018549":"22333","S00018550":"23922","S00018552":"14456","S00018553":"30347","S00018554":"30529","S00018555":"31600","S00018556":"26390","S00018558":"18795","S00018559":"15067","S00018561":"15967","S00018562":"23477","S00018563":"17630","S00018564":"24044","S00018565":"32464","S00018566":"19201","S00018567":"31470","S00018568":"26417","S00018569":"25275","S00018570":"27147","S00018571":"23624","S00018572":"35329","S00018573":"65496","S00018574":"20085","S00018575":"17069","S00018576":"25247","S00018577":"26374","S00018578":"22156","S00018579":"26551","S00018580":"78188","S00018581":"19518"},{"Metabolite":"CHOLATE (CAS# 81-25-4); (2M+H)+","S00018536":"","S00018537":"10142","S00018538":"8945","S00018539":"","S00018540":"","S00018541":"2445","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"8218","S00018549":"2028","S00018550":"2548","S00018552":"","S00018553":"1548","S00018554":"","S00018555":"2126","S00018556":"","S00018558":"3542","S00018559":"","S00018561":"2724","S00018562":"2212","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"3699","S00018572":"8165","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"CHOLATE (CAS# 81-25-4); (2M+H)+[-H2O]","S00018536":"","S00018537":"2666","S00018538":"3013","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"1164","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"1274","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"CHOLATE (CAS# 81-25-4); (2M+NA)+","S00018536":"25088","S00018537":"48360","S00018538":"49073","S00018539":"","S00018540":"4842","S00018541":"11067","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"37440","S00018549":"10998","S00018550":"15048","S00018552":"8648","S00018553":"6212","S00018554":"3649","S00018555":"10291","S00018556":"","S00018558":"15904","S00018559":"8213","S00018561":"13494","S00018562":"11989","S00018563":"3009","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"17318","S00018572":"42321","S00018573":"1205","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":"2772"},{"Metabolite":"CHOLATE (CAS# 81-25-4); (M+NA)+","S00018536":"699693","S00018537":"1021225","S00018538":"1025254","S00018539":"181961","S00018540":"295437","S00018541":"462073","S00018542":"","S00018543":"12958","S00018544":"","S00018545":"9461","S00018546":"39956","S00018547":"59060","S00018548":"919909","S00018549":"476116","S00018550":"569438","S00018552":"403230","S00018553":"355611","S00018554":"250134","S00018555":"462972","S00018556":"5706","S00018558":"602507","S00018559":"408508","S00018561":"537397","S00018562":"504485","S00018563":"240173","S00018564":"16523","S00018565":"65518","S00018566":"46110","S00018567":"77390","S00018568":"40241","S00018569":"87999","S00018570":"53370","S00018571":"626960","S00018572":"992465","S00018573":"131063","S00018574":"63089","S00018575":"34468","S00018576":"7596","S00018577":"128124","S00018578":"19854","S00018579":"74495","S00018580":"45015","S00018581":"240571"},{"Metabolite":"CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]","S00018536":"92206","S00018537":"70000","S00018538":"66067","S00018539":"82487","S00018540":"62213","S00018541":"112575","S00018542":"98561","S00018543":"52500","S00018544":"93330","S00018545":"82490","S00018546":"104126","S00018547":"100799","S00018548":"83064","S00018549":"51123","S00018550":"49975","S00018552":"54204","S00018553":"88933","S00018554":"48012","S00018555":"81510","S00018556":"65858","S00018558":"56133","S00018559":"84036","S00018561":"99171","S00018562":"87889","S00018563":"43612","S00018564":"25647","S00018565":"50290","S00018566":"53323","S00018567":"36448","S00018568":"81989","S00018569":"155145","S00018570":"44514","S00018571":"50952","S00018572":"70504","S00018573":"64379","S00018574":"46473","S00018575":"52413","S00018576":"53733","S00018577":"50175","S00018578":"45322","S00018579":"78489","S00018580":"65685","S00018581":"59154"},{"Metabolite":"CHOLESTEROL HYDROGEN SULFATE (CAS# 1256-86-6); M+[-HSO4]","S00018536":"","S00018537":"1518","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"2833","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"7770","S00018558":"","S00018559":"","S00018561":"","S00018562":"2613","S00018563":"","S00018564":"4245","S00018565":"","S00018566":"","S00018567":"","S00018568":"6354","S00018569":"","S00018570":"1037","S00018571":"2158","S00018572":"","S00018573":"2132","S00018574":"","S00018575":"2650","S00018576":"","S00018577":"","S00018578":"","S00018579":"7703","S00018580":"","S00018581":"2205"},{"Metabolite":"CHOLINE (CAS# 62-49-7); M+","S00018536":"320312","S00018537":"","S00018538":"","S00018539":"423793","S00018540":"385189","S00018541":"276974","S00018542":"127286","S00018543":"113359","S00018544":"156933","S00018545":"118845","S00018546":"105257","S00018547":"131826","S00018548":"","S00018549":"","S00018550":"107602","S00018552":"","S00018553":"","S00018554":"111623","S00018555":"","S00018556":"64501","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"365960","S00018564":"","S00018565":"","S00018566":"23805","S00018567":"21710","S00018568":"132691","S00018569":"96958","S00018570":"312649","S00018571":"121869","S00018572":"494913","S00018573":"","S00018574":"382413","S00018575":"411648","S00018576":"","S00018577":"23024","S00018578":"71168","S00018579":"","S00018580":"48224","S00018581":"62527"},{"Metabolite":"CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"4925","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"CHOLINE PHOSPHATE (CAS# 107-73-3); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"1055","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"1118","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"CINNAMIC ACID (CAS# 140-10-3); (M+H)+[-H2O]","S00018536":"1025","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"1055","S00018544":"1631","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"2576","S00018552":"","S00018553":"1199","S00018554":"","S00018555":"1834","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"3945","S00018569":"","S00018570":"","S00018571":"1465","S00018572":"5505","S00018573":"","S00018574":"1368","S00018575":"","S00018576":"2306","S00018577":"3140","S00018578":"","S00018579":"5540","S00018580":"2725","S00018581":"3192"},{"Metabolite":"CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+","S00018536":"6763","S00018537":"5361","S00018538":"3134","S00018539":"8114","S00018540":"5738","S00018541":"8148","S00018542":"5793","S00018543":"4751","S00018544":"4358","S00018545":"3870","S00018546":"4879","S00018547":"3168","S00018548":"6129","S00018549":"3431","S00018550":"2647","S00018552":"4264","S00018553":"3022","S00018554":"4173","S00018555":"6309","S00018556":"3796","S00018558":"5571","S00018559":"7390","S00018561":"6810","S00018562":"4845","S00018563":"6400","S00018564":"1550","S00018565":"5455","S00018566":"2999","S00018567":"4532","S00018568":"3251","S00018569":"7275","S00018570":"4791","S00018571":"4180","S00018572":"6604","S00018573":"6308","S00018574":"6657","S00018575":"7113","S00018576":"2347","S00018577":"3879","S00018578":"5197","S00018579":"4308","S00018580":"4251","S00018581":"2047"},{"Metabolite":"CIS-ZEATIN (CAS# 1637-39-4); (M+H)+","S00018536":"1178094","S00018537":"1203365","S00018538":"1233097","S00018539":"1173788","S00018540":"1176381","S00018541":"1154548","S00018542":"1117706","S00018543":"1173569","S00018544":"1142474","S00018545":"1173988","S00018546":"1174836","S00018547":"1149926","S00018548":"1222819","S00018549":"1167240","S00018550":"1185061","S00018552":"1188158","S00018553":"1145141","S00018554":"1109918","S00018555":"1055529","S00018556":"1205775","S00018558":"1190390","S00018559":"1223640","S00018561":"1195213","S00018562":"1248370","S00018563":"1222391","S00018564":"1125707","S00018565":"1170502","S00018566":"1255120","S00018567":"1081979","S00018568":"1102067","S00018569":"1067695","S00018570":"1180088","S00018571":"1098000","S00018572":"1148059","S00018573":"1211559","S00018574":"1143973","S00018575":"1156605","S00018576":"1176025","S00018577":"1132987","S00018578":"1109396","S00018579":"1270117","S00018580":"1169949","S00018581":"1006903"},{"Metabolite":"CITRAMALATE (CAS# 2306-22-1); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"12022","S00018581":""},{"Metabolite":"CITRATE (CAS# 77-92-9); (M+NA)+","S00018536":"20926","S00018537":"92731","S00018538":"","S00018539":"87881","S00018540":"37980","S00018541":"119626","S00018542":"85521","S00018543":"143331","S00018544":"64045","S00018545":"137224","S00018546":"86565","S00018547":"64121","S00018548":"36815","S00018549":"61451","S00018550":"42961","S00018552":"87456","S00018553":"63120","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"80041","S00018561":"79550","S00018562":"","S00018563":"109607","S00018564":"","S00018565":"65900","S00018566":"50302","S00018567":"26191","S00018568":"49091","S00018569":"44977","S00018570":"51331","S00018571":"","S00018572":"56634","S00018573":"30320","S00018574":"34200","S00018575":"5844","S00018576":"","S00018577":"","S00018578":"","S00018579":"95735","S00018580":"170470","S00018581":"41479"},{"Metabolite":"CITRULLINE (CAS# 372-75-8); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"21775","S00018540":"18792","S00018541":"22578","S00018542":"","S00018543":"7424","S00018544":"","S00018545":"5548","S00018546":"","S00018547":"11880","S00018548":"11008","S00018549":"","S00018550":"8611","S00018552":"","S00018553":"","S00018554":"5375","S00018555":"","S00018556":"4676","S00018558":"10717","S00018559":"","S00018561":"","S00018562":"20462","S00018563":"12702","S00018564":"","S00018565":"","S00018566":"","S00018567":"9631","S00018568":"15553","S00018569":"11197","S00018570":"","S00018571":"20570","S00018572":"21608","S00018573":"","S00018574":"","S00018575":"17181","S00018576":"9975","S00018577":"7599","S00018578":"","S00018579":"8433","S00018580":"6318","S00018581":""},{"Metabolite":"CITRULLINE (CAS# 372-75-8); (M+NA)+","S00018536":"28798","S00018537":"43605","S00018538":"","S00018539":"31096","S00018540":"27840","S00018541":"32204","S00018542":"","S00018543":"27306","S00018544":"19592","S00018545":"3438","S00018546":"34602","S00018547":"39612","S00018548":"27141","S00018549":"23273","S00018550":"21473","S00018552":"49290","S00018553":"","S00018554":"3100","S00018555":"25822","S00018556":"30227","S00018558":"10340","S00018559":"39471","S00018561":"39032","S00018562":"32707","S00018563":"29466","S00018564":"","S00018565":"22753","S00018566":"16393","S00018567":"21800","S00018568":"","S00018569":"15753","S00018570":"33999","S00018571":"31761","S00018572":"30440","S00018573":"35438","S00018574":"34861","S00018575":"22912","S00018576":"","S00018577":"21047","S00018578":"","S00018579":"","S00018580":"19834","S00018581":"40500"},{"Metabolite":"CORTICOSTERONE (CAS# 50-22-6); (M+H)+","S00018536":"86540","S00018537":"103647","S00018538":"61616","S00018539":"76736","S00018540":"98949","S00018541":"98082","S00018542":"75531","S00018543":"92806","S00018544":"70578","S00018545":"75897","S00018546":"99544","S00018547":"92093","S00018548":"83800","S00018549":"70628","S00018550":"53610","S00018552":"68315","S00018553":"80076","S00018554":"86149","S00018555":"137627","S00018556":"60558","S00018558":"67035","S00018559":"61444","S00018561":"94804","S00018562":"100573","S00018563":"116238","S00018564":"51142","S00018565":"87181","S00018566":"94016","S00018567":"87346","S00018568":"60977","S00018569":"79744","S00018570":"79288","S00018571":"82625","S00018572":"90250","S00018573":"79412","S00018574":"97486","S00018575":"114890","S00018576":"56463","S00018577":"104427","S00018578":"50002","S00018579":"116265","S00018580":"79287","S00018581":"65172"},{"Metabolite":"CORTICOSTERONE (CAS# 50-22-6); (M+NA)+","S00018536":"285933","S00018537":"343708","S00018538":"195528","S00018539":"278678","S00018540":"335091","S00018541":"323861","S00018542":"250268","S00018543":"314652","S00018544":"242655","S00018545":"259056","S00018546":"348905","S00018547":"314469","S00018548":"284876","S00018549":"264479","S00018550":"200155","S00018552":"255264","S00018553":"281217","S00018554":"307199","S00018555":"453936","S00018556":"227186","S00018558":"248744","S00018559":"223161","S00018561":"360825","S00018562":"363000","S00018563":"377102","S00018564":"166803","S00018565":"306723","S00018566":"316373","S00018567":"307462","S00018568":"214953","S00018569":"302612","S00018570":"309076","S00018571":"309467","S00018572":"329252","S00018573":"317069","S00018574":"369463","S00018575":"415137","S00018576":"233042","S00018577":"409218","S00018578":"205535","S00018579":"463218","S00018580":"290287","S00018581":"237152"},{"Metabolite":"CORTISOL (CAS# 50-23-7); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"1108","S00018541":"","S00018542":"","S00018543":"5127","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"3265","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"5640","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"12087","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"CORTISOL 21-ACETATE (CAS# 50-03-3); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"9641","S00018559":"","S00018561":"25248","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"17421","S00018573":"","S00018574":"13537","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"CORTISOL 21-ACETATE (CAS# 50-03-3); (M+NA)+","S00018536":"4037","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"4763","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"CORTISONE (CAS# 53-06-5); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"1702","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"5039","S00018562":"","S00018563":"3867","S00018564":"","S00018565":"4340","S00018566":"","S00018567":"","S00018568":"","S00018569":"2080","S00018570":"","S00018571":"","S00018572":"6650","S00018573":"","S00018574":"1094","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"CREATINE (CAS# 57-00-1); (M+H)+","S00018536":"1465521","S00018537":"1275176","S00018538":"1178200","S00018539":"1173808","S00018540":"873400","S00018541":"952879","S00018542":"1217239","S00018543":"1314778","S00018544":"793593","S00018545":"678185","S00018546":"1086614","S00018547":"1508952","S00018548":"","S00018549":"903282","S00018550":"849421","S00018552":"675338","S00018553":"1028141","S00018554":"1057977","S00018555":"1184291","S00018556":"961884","S00018558":"972077","S00018559":"767319","S00018561":"815023","S00018562":"826311","S00018563":"863287","S00018564":"571988","S00018565":"","S00018566":"986162","S00018567":"899482","S00018568":"709432","S00018569":"","S00018570":"1580109","S00018571":"1166438","S00018572":"653427","S00018573":"732111","S00018574":"875903","S00018575":"702061","S00018576":"1166383","S00018577":"911754","S00018578":"891586","S00018579":"884498","S00018580":"662231","S00018581":"952538"},{"Metabolite":"CREATININE (CAS# 60-27-5); (M+H)+","S00018536":"69865","S00018537":"","S00018538":"61741","S00018539":"88435","S00018540":"70228","S00018541":"88979","S00018542":"52717","S00018543":"60008","S00018544":"42799","S00018545":"51538","S00018546":"36403","S00018547":"62864","S00018548":"","S00018549":"","S00018550":"40676","S00018552":"","S00018553":"58883","S00018554":"28763","S00018555":"42398","S00018556":"50463","S00018558":"51256","S00018559":"82860","S00018561":"63829","S00018562":"60727","S00018563":"61952","S00018564":"57720","S00018565":"","S00018566":"51769","S00018567":"","S00018568":"37731","S00018569":"45949","S00018570":"72113","S00018571":"38384","S00018572":"53242","S00018573":"60503","S00018574":"60426","S00018575":"69321","S00018576":"","S00018577":"49779","S00018578":"4557","S00018579":"","S00018580":"22963","S00018581":"7048"},{"Metabolite":"CREATININE (CAS# 60-27-5); (M+NA)+","S00018536":"63818","S00018537":"79566","S00018538":"51556","S00018539":"52406","S00018540":"","S00018541":"51291","S00018542":"2474","S00018543":"72646","S00018544":"35488","S00018545":"27973","S00018546":"42042","S00018547":"5585","S00018548":"30456","S00018549":"58150","S00018550":"49045","S00018552":"29752","S00018553":"2247","S00018554":"41916","S00018555":"","S00018556":"34256","S00018558":"3263","S00018559":"49005","S00018561":"55467","S00018562":"48015","S00018563":"45180","S00018564":"26631","S00018565":"50768","S00018566":"34318","S00018567":"3102","S00018568":"39338","S00018569":"24656","S00018570":"72473","S00018571":"55772","S00018572":"41768","S00018573":"48651","S00018574":"","S00018575":"41041","S00018576":"50079","S00018577":"46509","S00018578":"33274","S00018579":"41074","S00018580":"33638","S00018581":"49424"},{"Metabolite":"CYSTATHIONINE (CAS# 56-88-2); (M+H)+[-H2O]","S00018536":"","S00018537":"54349","S00018538":"","S00018539":"13740","S00018540":"","S00018541":"39923","S00018542":"","S00018543":"11020","S00018544":"35600","S00018545":"26909","S00018546":"14790","S00018547":"40893","S00018548":"15612","S00018549":"","S00018550":"4703","S00018552":"18075","S00018553":"7360","S00018554":"38600","S00018555":"47482","S00018556":"37480","S00018558":"","S00018559":"8003","S00018561":"","S00018562":"","S00018563":"","S00018564":"7269","S00018565":"30414","S00018566":"41735","S00018567":"10312","S00018568":"","S00018569":"12591","S00018570":"","S00018571":"34998","S00018572":"11830","S00018573":"19689","S00018574":"17421","S00018575":"11690","S00018576":"31672","S00018577":"9404","S00018578":"7250","S00018579":"8297","S00018580":"32105","S00018581":""},{"Metabolite":"CYSTINE (CAS# 56-89-3); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"2412","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"2972","S00018558":"","S00018559":"","S00018561":"7667","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"3008","S00018575":"3650","S00018576":"","S00018577":"9233","S00018578":"","S00018579":"","S00018580":"","S00018581":"1348"},{"Metabolite":"CYTIDINE (CAS# 65-46-3); (2M+H)+","S00018536":"1466","S00018537":"1033","S00018538":"","S00018539":"1520","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"1428","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"1267","S00018564":"","S00018565":"","S00018566":"2700","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"CYTIDINE (CAS# 65-46-3); (M+H)+","S00018536":"18122","S00018537":"20038","S00018538":"2554","S00018539":"20415","S00018540":"13017","S00018541":"21974","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"16750","S00018548":"13090","S00018549":"","S00018550":"7274","S00018552":"23082","S00018553":"","S00018554":"","S00018555":"11518","S00018556":"12564","S00018558":"","S00018559":"17628","S00018561":"15067","S00018562":"23319","S00018563":"18137","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"12821","S00018570":"","S00018571":"11738","S00018572":"","S00018573":"13065","S00018574":"","S00018575":"15078","S00018576":"","S00018577":"","S00018578":"10682","S00018579":"","S00018580":"","S00018581":"12198"},{"Metabolite":"CYTOSINE (CAS# 71-30-7); (M+H)+","S00018536":"241877","S00018537":"73558","S00018538":"113714","S00018539":"89221","S00018540":"","S00018541":"","S00018542":"52241","S00018543":"46908","S00018544":"78375","S00018545":"25084","S00018546":"78587","S00018547":"239279","S00018548":"","S00018549":"22624","S00018550":"28100","S00018552":"77861","S00018553":"35386","S00018554":"","S00018555":"43568","S00018556":"","S00018558":"20373","S00018559":"47217","S00018561":"46319","S00018562":"65677","S00018563":"","S00018564":"67280","S00018565":"54826","S00018566":"71121","S00018567":"33983","S00018568":"24852","S00018569":"46148","S00018570":"40855","S00018571":"45222","S00018572":"","S00018573":"45532","S00018574":"90919","S00018575":"123116","S00018576":"","S00018577":"40276","S00018578":"","S00018579":"65513","S00018580":"23962","S00018581":"45026"},{"Metabolite":"CYTOSINE (CAS# 71-30-7); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"3995","S00018553":"2210","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"D-(-)-ARABINOSE (CAS# 10323-20-3); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"4846","S00018544":"","S00018545":"","S00018546":"","S00018547":"4901","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"3471","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"3591","S00018566":"","S00018567":"","S00018568":"4134","S00018569":"4277","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"5400","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"D-GALACTOSAMINE (CAS# 7535-00-4); (2M+NA)+","S00018536":"","S00018537":"","S00018538":"7367","S00018539":"","S00018540":"","S00018541":"","S00018542":"9152","S00018543":"","S00018544":"8645","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"8586","S00018553":"","S00018554":"","S00018555":"","S00018556":"13458","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"8056","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"15375","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"1121","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"D-GALACTOSAMINE (CAS# 7535-00-4); (M+K)+","S00018536":"","S00018537":"6474","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"D-GALACTOSAMINE (CAS# 7535-00-4); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"18884","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"D-GLUCOSAMINE (CAS# 3416-24-8); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"1121","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"D-GLUCOSAMINE (CAS# 3416-24-8); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"18884","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"1623","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"2666","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"D-LYXOSE (CAS# 1114-34-7); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"4846","S00018544":"","S00018545":"","S00018546":"","S00018547":"4901","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"3471","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"3591","S00018566":"","S00018567":"","S00018568":"4134","S00018569":"4277","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"5400","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"1121","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"D-MANNOSAMINE (CAS# 14307-02-9); (M+K)+","S00018536":"","S00018537":"6474","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"D-MANNOSAMINE (CAS# 14307-02-9); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"18884","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"D-ORNITHINE (CAS# 348-66-3); (M+H)+","S00018536":"50226","S00018537":"47116","S00018538":"149045","S00018539":"57407","S00018540":"48109","S00018541":"73479","S00018542":"49237","S00018543":"40044","S00018544":"63094","S00018545":"46519","S00018546":"","S00018547":"63348","S00018548":"48112","S00018549":"49573","S00018550":"47924","S00018552":"82058","S00018553":"67873","S00018554":"44946","S00018555":"","S00018556":"48884","S00018558":"32372","S00018559":"","S00018561":"35608","S00018562":"49402","S00018563":"33704","S00018564":"49211","S00018565":"34810","S00018566":"52228","S00018567":"30165","S00018568":"48116","S00018569":"42891","S00018570":"43444","S00018571":"40047","S00018572":"31418","S00018573":"41079","S00018574":"43729","S00018575":"","S00018576":"53816","S00018577":"40491","S00018578":"33737","S00018579":"39972","S00018580":"44111","S00018581":"46897"},{"Metabolite":"D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O]","S00018536":"63784","S00018537":"29287","S00018538":"19931","S00018539":"33129","S00018540":"25504","S00018541":"37427","S00018542":"39437","S00018543":"30867","S00018544":"34444","S00018545":"","S00018546":"42640","S00018547":"38858","S00018548":"27870","S00018549":"22333","S00018550":"23922","S00018552":"14456","S00018553":"30347","S00018554":"30529","S00018555":"31600","S00018556":"26390","S00018558":"18795","S00018559":"15067","S00018561":"15967","S00018562":"23477","S00018563":"17630","S00018564":"24044","S00018565":"32464","S00018566":"21054","S00018567":"31470","S00018568":"26417","S00018569":"25450","S00018570":"27147","S00018571":"24559","S00018572":"35329","S00018573":"65496","S00018574":"20085","S00018575":"17069","S00018576":"25247","S00018577":"26374","S00018578":"22166","S00018579":"26551","S00018580":"78188","S00018581":"17553"},{"Metabolite":"DECANOATE (CAS# 334-48-5); (2M+NA)+","S00018536":"1124","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"1150","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"1713","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"3887","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"2652","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"DECANOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+","S00018536":"3607","S00018537":"4695","S00018538":"4327","S00018539":"4657","S00018540":"3960","S00018541":"4118","S00018542":"","S00018543":"3250","S00018544":"","S00018545":"2834","S00018546":"2772","S00018547":"1964","S00018548":"2282","S00018549":"2887","S00018550":"3578","S00018552":"2477","S00018553":"2351","S00018554":"2420","S00018555":"3533","S00018556":"1326","S00018558":"4589","S00018559":"5625","S00018561":"3590","S00018562":"4243","S00018563":"","S00018564":"1182","S00018565":"4311","S00018566":"","S00018567":"2252","S00018568":"2760","S00018569":"3512","S00018570":"2472","S00018571":"","S00018572":"2830","S00018573":"4168","S00018574":"3702","S00018575":"2480","S00018576":"1407","S00018577":"","S00018578":"","S00018579":"3007","S00018580":"1235","S00018581":""},{"Metabolite":"DECENOYLCARNITINE (*) (CAS# 98930-66-6); (M+H)+","S00018536":"5112","S00018537":"5255","S00018538":"3610","S00018539":"5459","S00018540":"","S00018541":"","S00018542":"3908","S00018543":"4295","S00018544":"2783","S00018545":"","S00018546":"3338","S00018547":"","S00018548":"","S00018549":"2262","S00018550":"","S00018552":"2588","S00018553":"2236","S00018554":"","S00018555":"","S00018556":"","S00018558":"2323","S00018559":"3865","S00018561":"4242","S00018562":"3206","S00018563":"","S00018564":"","S00018565":"3723","S00018566":"1208","S00018567":"3027","S00018568":"1505","S00018569":"3151","S00018570":"","S00018571":"2025","S00018572":"","S00018573":"","S00018574":"2233","S00018575":"1528","S00018576":"","S00018577":"","S00018578":"1100","S00018579":"2386","S00018580":"","S00018581":""},{"Metabolite":"DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"1705","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"3748","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+","S00018536":"25945","S00018537":"59243","S00018538":"63760","S00018539":"22688","S00018540":"40678","S00018541":"57664","S00018542":"18885","S00018543":"55674","S00018544":"16797","S00018545":"9689","S00018546":"27327","S00018547":"44051","S00018548":"40395","S00018549":"38560","S00018550":"23106","S00018552":"31723","S00018553":"43851","S00018554":"35798","S00018555":"29597","S00018556":"21247","S00018558":"67527","S00018559":"","S00018561":"","S00018562":"41674","S00018563":"19595","S00018564":"15891","S00018565":"21022","S00018566":"25705","S00018567":"15302","S00018568":"19162","S00018569":"23822","S00018570":"","S00018571":"34163","S00018572":"72961","S00018573":"","S00018574":"36774","S00018575":"","S00018576":"17161","S00018577":"14453","S00018578":"10266","S00018579":"13830","S00018580":"15837","S00018581":"18859"},{"Metabolite":"DEOXYCORTICOSTERONE ACETATE (CAS# 56-47-3); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"2115","S00018581":""},{"Metabolite":"DEOXYCYTIDINE (CAS# 951-77-9); (2M+H)+","S00018536":"31694","S00018537":"24942","S00018538":"1793078","S00018539":"53192","S00018540":"761654","S00018541":"86923","S00018542":"824613","S00018543":"14179","S00018544":"1213709","S00018545":"388088","S00018546":"44096","S00018547":"25316","S00018548":"568403","S00018549":"203486","S00018550":"187584","S00018552":"1119055","S00018553":"480813","S00018554":"29612","S00018555":"549306","S00018556":"1363591","S00018558":"175052","S00018559":"478064","S00018561":"574017","S00018562":"958542","S00018563":"763162","S00018564":"1104703","S00018565":"888337","S00018566":"1469077","S00018567":"384195","S00018568":"224388","S00018569":"653370","S00018570":"529787","S00018571":"416069","S00018572":"132043","S00018573":"416019","S00018574":"1144538","S00018575":"31208","S00018576":"1528363","S00018577":"625234","S00018578":"469747","S00018579":"1187401","S00018580":"381916","S00018581":"533268"},{"Metabolite":"DEOXYCYTIDINE (CAS# 951-77-9); (2M+NA)+","S00018536":"17656","S00018537":"5751","S00018538":"28218","S00018539":"11341","S00018540":"6941","S00018541":"21190","S00018542":"9550","S00018543":"9264","S00018544":"28546","S00018545":"5827","S00018546":"27957","S00018547":"14046","S00018548":"7642","S00018549":"2592","S00018550":"","S00018552":"10077","S00018553":"8388","S00018554":"","S00018555":"13902","S00018556":"21667","S00018558":"1503","S00018559":"3345","S00018561":"3009","S00018562":"10084","S00018563":"4683","S00018564":"8830","S00018565":"6682","S00018566":"25109","S00018567":"2974","S00018568":"","S00018569":"4400","S00018570":"8484","S00018571":"4624","S00018572":"","S00018573":"1957","S00018574":"9953","S00018575":"6805","S00018576":"20324","S00018577":"7333","S00018578":"2854","S00018579":"18898","S00018580":"4587","S00018581":"4063"},{"Metabolite":"DEOXYCYTIDINE (CAS# 951-77-9); (M+H)+","S00018536":"113567","S00018537":"127286","S00018538":"204778","S00018539":"153914","S00018540":"115596","S00018541":"176844","S00018542":"121647","S00018543":"114185","S00018544":"159845","S00018545":"82050","S00018546":"18964","S00018547":"130814","S00018548":"110226","S00018549":"57549","S00018550":"59031","S00018552":"172539","S00018553":"97223","S00018554":"20655","S00018555":"102934","S00018556":"159705","S00018558":"46939","S00018559":"99970","S00018561":"102919","S00018562":"142414","S00018563":"128523","S00018564":"148146","S00018565":"121374","S00018566":"167196","S00018567":"74062","S00018568":"58491","S00018569":"105882","S00018570":"95614","S00018571":"84501","S00018572":"42703","S00018573":"87211","S00018574":"145588","S00018575":"108688","S00018576":"163415","S00018577":"103593","S00018578":"83258","S00018579":"147588","S00018580":"73349","S00018581":"101081"},{"Metabolite":"DEOXYCYTIDINE (CAS# 951-77-9); (M+NA)+","S00018536":"66130","S00018537":"52098","S00018538":"84466","S00018539":"64905","S00018540":"41528","S00018541":"82177","S00018542":"47800","S00018543":"35103","S00018544":"93385","S00018545":"33890","S00018546":"62109","S00018547":"60897","S00018548":"55528","S00018549":"21601","S00018550":"14979","S00018552":"63363","S00018553":"41913","S00018554":"5629","S00018555":"63476","S00018556":"84925","S00018558":"14130","S00018559":"30811","S00018561":"28494","S00018562":"53331","S00018563":"34858","S00018564":"42703","S00018565":"33381","S00018566":"77631","S00018567":"23012","S00018568":"19459","S00018569":"32551","S00018570":"41819","S00018571":"34916","S00018572":"15914","S00018573":"26507","S00018574":"53028","S00018575":"45265","S00018576":"78707","S00018577":"38868","S00018578":"24200","S00018579":"69443","S00018580":"27677","S00018581":"23923"},{"Metabolite":"DEOXYURIDINE (CAS# 951-78-0); (M+NA)+","S00018536":"308494","S00018537":"150244","S00018538":"8531","S00018539":"118563","S00018540":"203043","S00018541":"41676","S00018542":"236361","S00018543":"236200","S00018544":"205981","S00018545":"290974","S00018546":"94972","S00018547":"122914","S00018548":"126630","S00018549":"364930","S00018550":"167369","S00018552":"39440","S00018553":"179784","S00018554":"389204","S00018555":"353127","S00018556":"43929","S00018558":"228382","S00018559":"188265","S00018561":"184784","S00018562":"135822","S00018563":"108976","S00018564":"5497","S00018565":"105959","S00018566":"40567","S00018567":"143692","S00018568":"188233","S00018569":"75695","S00018570":"286649","S00018571":"143690","S00018572":"294790","S00018573":"163166","S00018574":"26407","S00018575":"197850","S00018576":"52122","S00018577":"167025","S00018578":"173345","S00018579":"77301","S00018580":"346944","S00018581":"55194"},{"Metabolite":"DESMOSTEROL (CAS# 313-04-2); (M+H)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"2114","S00018570":"","S00018571":"","S00018572":"2758","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"DETHIOBIOTIN (CAS# 533-48-2); (2M+H)+","S00018536":"","S00018537":"","S00018538":"7997","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"DETHIOBIOTIN (CAS# 533-48-2); (M+NA)+","S00018536":"6598","S00018537":"16179","S00018538":"19876","S00018539":"11175","S00018540":"23593","S00018541":"18776","S00018542":"12283","S00018543":"9647","S00018544":"20319","S00018545":"20117","S00018546":"","S00018547":"18470","S00018548":"13488","S00018549":"29975","S00018550":"15163","S00018552":"14600","S00018553":"14929","S00018554":"22661","S00018555":"23794","S00018556":"22732","S00018558":"","S00018559":"19866","S00018561":"30444","S00018562":"15853","S00018563":"32561","S00018564":"","S00018565":"","S00018566":"16385","S00018567":"19000","S00018568":"","S00018569":"16229","S00018570":"","S00018571":"16636","S00018572":"","S00018573":"37082","S00018574":"","S00018575":"26638","S00018576":"17048","S00018577":"30781","S00018578":"24200","S00018579":"20739","S00018580":"15270","S00018581":"25344"},{"Metabolite":"DI-TERT-BUTYL DICARBONATE (CAS# 24424-99-5); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"1855","S00018543":"","S00018544":"7569","S00018545":"","S00018546":"","S00018547":"7219","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"3299","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"9253","S00018566":"","S00018567":"","S00018568":"2590","S00018569":"2556","S00018570":"","S00018571":"","S00018572":"","S00018573":"3520","S00018574":"4156","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"DIETHYLSTILBESTROL (CAS# 56-53-1); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"1559","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"DODECENOYLCARNITINE (*) II (CAS# 000-00-0); M+","S00018536":"","S00018537":"10497","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"6590","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"5901","S00018562":"","S00018563":"10076","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"DUMP (CAS# 964-26-1); (M+K)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":"1784"},{"Metabolite":"EDTA (CAS# 60-00-4); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"1932","S00018545":"1807","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"1012","S00018555":"1962","S00018556":"","S00018558":"","S00018559":"1120","S00018561":"","S00018562":"","S00018563":"1296","S00018564":"","S00018565":"","S00018566":"1037","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"2035","S00018574":"","S00018575":"","S00018576":"1686","S00018577":"1194","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"EICOSADIENOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"1163","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"1174","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"EICOSANOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"1225","S00018559":"","S00018561":"1910","S00018562":"1510","S00018563":"1340","S00018564":"","S00018565":"","S00018566":"1661","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"1163","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"EICOSATRIENOYLCARNITINE (*) (CAS# 000-00-0); M+","S00018536":"21842","S00018537":"26071","S00018538":"18874","S00018539":"20906","S00018540":"20378","S00018541":"23235","S00018542":"16330","S00018543":"15193","S00018544":"15734","S00018545":"8645","S00018546":"15253","S00018547":"","S00018548":"15955","S00018549":"14119","S00018550":"13556","S00018552":"20817","S00018553":"","S00018554":"12250","S00018555":"18854","S00018556":"9432","S00018558":"32455","S00018559":"32091","S00018561":"31634","S00018562":"47566","S00018563":"35765","S00018564":"11201","S00018565":"15419","S00018566":"16885","S00018567":"","S00018568":"","S00018569":"17709","S00018570":"14107","S00018571":"22154","S00018572":"30942","S00018573":"18219","S00018574":"22313","S00018575":"18294","S00018576":"9533","S00018577":"","S00018578":"","S00018579":"13561","S00018580":"","S00018581":""},{"Metabolite":"EICOSENOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+","S00018536":"2282","S00018537":"2084","S00018538":"","S00018539":"","S00018540":"","S00018541":"1877","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"1465","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"3811","S00018562":"","S00018563":"3759","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"2201","S00018572":"4761","S00018573":"","S00018574":"2231","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ELAIDIC ACID (CAS# 112-79-8); (M+H)+","S00018536":"6763","S00018537":"5361","S00018538":"3134","S00018539":"8114","S00018540":"5738","S00018541":"8148","S00018542":"5793","S00018543":"4751","S00018544":"4358","S00018545":"3870","S00018546":"4879","S00018547":"3168","S00018548":"6129","S00018549":"3431","S00018550":"2647","S00018552":"4264","S00018553":"3022","S00018554":"4173","S00018555":"6309","S00018556":"3796","S00018558":"6716","S00018559":"7390","S00018561":"6810","S00018562":"4845","S00018563":"6400","S00018564":"1550","S00018565":"5455","S00018566":"2999","S00018567":"4532","S00018568":"3251","S00018569":"7275","S00018570":"4791","S00018571":"4180","S00018572":"6604","S00018573":"6308","S00018574":"6657","S00018575":"7113","S00018576":"2347","S00018577":"3879","S00018578":"5197","S00018579":"4308","S00018580":"4251","S00018581":"2047"},{"Metabolite":"ELAIDIC ACID (CAS# 112-79-8); (M+NA)+","S00018536":"99697","S00018537":"10609","S00018538":"14610","S00018539":"112154","S00018540":"10953","S00018541":"112151","S00018542":"115641","S00018543":"84554","S00018544":"8508","S00018545":"9586","S00018546":"127774","S00018547":"122441","S00018548":"7633","S00018549":"4085","S00018550":"65281","S00018552":"7981","S00018553":"96711","S00018554":"78959","S00018555":"128874","S00018556":"15744","S00018558":"10674","S00018559":"9302","S00018561":"85754","S00018562":"80185","S00018563":"81380","S00018564":"54017","S00018565":"86180","S00018566":"9233","S00018567":"9532","S00018568":"95440","S00018569":"9462","S00018570":"73345","S00018571":"4854","S00018572":"9724","S00018573":"91718","S00018574":"12537","S00018575":"12170","S00018576":"4657","S00018577":"9753","S00018578":"9227","S00018579":"110879","S00018580":"","S00018581":"7603"},{"Metabolite":"EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+H)+","S00018536":"576105","S00018537":"607539","S00018538":"625244","S00018539":"612416","S00018540":"614432","S00018541":"585596","S00018542":"576333","S00018543":"606800","S00018544":"619236","S00018545":"593475","S00018546":"616776","S00018547":"622105","S00018548":"644463","S00018549":"618773","S00018550":"613318","S00018552":"632700","S00018553":"594933","S00018554":"569356","S00018555":"564744","S00018556":"648734","S00018558":"626571","S00018559":"618411","S00018561":"637051","S00018562":"665100","S00018563":"598873","S00018564":"606308","S00018565":"600495","S00018566":"643912","S00018567":"591600","S00018568":"574424","S00018569":"552094","S00018570":"614054","S00018571":"591679","S00018572":"598398","S00018573":"629843","S00018574":"622211","S00018575":"625050","S00018576":"645473","S00018577":"589363","S00018578":"572948","S00018579":"681761","S00018580":"593213","S00018581":"517348"},{"Metabolite":"EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+NA)+","S00018536":"4166334","S00018537":"4510450","S00018538":"4829848","S00018539":"4540602","S00018540":"4369206","S00018541":"4413422","S00018542":"4276538","S00018543":"4502432","S00018544":"4667421","S00018545":"4317496","S00018546":"4701705","S00018547":"4654914","S00018548":"4926870","S00018549":"4639439","S00018550":"4668734","S00018552":"4831903","S00018553":"4406950","S00018554":"4426036","S00018555":"4541363","S00018556":"5110316","S00018558":"4857070","S00018559":"4758106","S00018561":"4879488","S00018562":"4991822","S00018563":"4491189","S00018564":"5169422","S00018565":"4716703","S00018566":"4993989","S00018567":"4896003","S00018568":"4763805","S00018569":"4826966","S00018570":"5103520","S00018571":"5026446","S00018572":"4965620","S00018573":"5171583","S00018574":"5503337","S00018575":"5428741","S00018576":"5588005","S00018577":"5100943","S00018578":"4894179","S00018579":"5631086","S00018580":"4754887","S00018581":"4642904"},{"Metabolite":"ERYTHRITOL (CAS# 149-32-6); (M+NA)+","S00018536":"4422","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"4869","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"3715","S00018564":"","S00018565":"","S00018566":"1876","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"4899","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ESTRADIOL-17BETA (CAS# 50-28-2); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"6576","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"3575","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":"4541"},{"Metabolite":"ESTRONE (CAS# 53-16-7); (M+H)+","S00018536":"","S00018537":"","S00018538":"1225","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ETHANOLAMINE (CAS# 141-43-5); (2M+NA)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"1011","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ETHANOLAMINE (CAS# 141-43-5); (M+NA)+","S00018536":"","S00018537":"6614","S00018538":"8013","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"6299","S00018547":"2324","S00018548":"","S00018549":"","S00018550":"5046","S00018552":"","S00018553":"","S00018554":"","S00018555":"6969","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"4663","S00018567":"","S00018568":"4237","S00018569":"2590","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"1534","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"3754","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"FERULATE (CAS# 1135-24-6); (M+H)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"2254","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"2048","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"FLUCYTOSINE (CAS# 2022-85-7); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"6384","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"FRUCTOSE (CAS# 57-48-7); (M+NA)+","S00018536":"5019075","S00018537":"3588663","S00018538":"","S00018539":"4346362","S00018540":"3876614","S00018541":"4564791","S00018542":"3767841","S00018543":"807189","S00018544":"","S00018545":"2353455","S00018546":"4581408","S00018547":"4240742","S00018548":"3606046","S00018549":"3948076","S00018550":"3367816","S00018552":"839953","S00018553":"","S00018554":"920639","S00018555":"4337446","S00018556":"4153276","S00018558":"686445","S00018559":"2942161","S00018561":"3207258","S00018562":"3482396","S00018563":"3482328","S00018564":"","S00018565":"2274507","S00018566":"","S00018567":"2162498","S00018568":"","S00018569":"","S00018570":"4259959","S00018571":"3819501","S00018572":"3718197","S00018573":"3178257","S00018574":"3467277","S00018575":"3171690","S00018576":"901781","S00018577":"3215112","S00018578":"2886265","S00018579":"","S00018580":"","S00018581":"2686822"},{"Metabolite":"GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+NA)+","S00018536":"36622","S00018537":"","S00018538":"","S00018539":"44796","S00018540":"37468","S00018541":"","S00018542":"36387","S00018543":"33342","S00018544":"","S00018545":"36209","S00018546":"47324","S00018547":"","S00018548":"37559","S00018549":"","S00018550":"","S00018552":"30535","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"36287","S00018559":"32206","S00018561":"36842","S00018562":"35357","S00018563":"","S00018564":"10395","S00018565":"","S00018566":"","S00018567":"30541","S00018568":"27938","S00018569":"27848","S00018570":"","S00018571":"","S00018572":"37902","S00018573":"13034","S00018574":"","S00018575":"","S00018576":"","S00018577":"25647","S00018578":"32867","S00018579":"31537","S00018580":"","S00018581":"29847"},{"Metabolite":"GALACTURONIC ACID (CAS# 91510-62-2); (2M+NA)+","S00018536":"1395","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"1890","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+H)+","S00018536":"1154","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"3394","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"1008","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"3449","S00018568":"2451","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"2216","S00018579":"","S00018580":"4230","S00018581":""},{"Metabolite":"GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+","S00018536":"65185","S00018537":"65412","S00018538":"83019","S00018539":"79986","S00018540":"","S00018541":"60634","S00018542":"67175","S00018543":"80739","S00018544":"80297","S00018545":"83584","S00018546":"60354","S00018547":"","S00018548":"99089","S00018549":"93528","S00018550":"81154","S00018552":"109532","S00018553":"75374","S00018554":"94724","S00018555":"103220","S00018556":"118197","S00018558":"106015","S00018559":"99235","S00018561":"102720","S00018562":"103109","S00018563":"119569","S00018564":"","S00018565":"115340","S00018566":"119213","S00018567":"111918","S00018568":"98904","S00018569":"117031","S00018570":"122335","S00018571":"128990","S00018572":"141761","S00018573":"136273","S00018574":"203019","S00018575":"168779","S00018576":"140369","S00018577":"143633","S00018578":"136608","S00018579":"170730","S00018580":"164538","S00018581":"130090"},{"Metabolite":"GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M+NA)+","S00018536":"2973","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"2711","S00018545":"2565","S00018546":"","S00018547":"","S00018548":"2160","S00018549":"2726","S00018550":"2536","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"2549","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"1774","S00018568":"","S00018569":"1905","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"2474","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+","S00018536":"44754","S00018537":"47581","S00018538":"49944","S00018539":"50921","S00018540":"49131","S00018541":"43179","S00018542":"42457","S00018543":"44725","S00018544":"47755","S00018545":"42819","S00018546":"44499","S00018547":"44620","S00018548":"45187","S00018549":"44352","S00018550":"44827","S00018552":"42237","S00018553":"42733","S00018554":"38608","S00018555":"40138","S00018556":"48756","S00018558":"45614","S00018559":"47173","S00018561":"48363","S00018562":"51013","S00018563":"40754","S00018564":"46141","S00018565":"40382","S00018566":"46864","S00018567":"39073","S00018568":"38474","S00018569":"38399","S00018570":"41497","S00018571":"37786","S00018572":"40221","S00018573":"44327","S00018574":"40076","S00018575":"40600","S00018576":"44100","S00018577":"42221","S00018578":"39911","S00018579":"50438","S00018580":"42822","S00018581":"35397"},{"Metabolite":"GLUCOSAMINATE (CAS# 3646-68-2); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"1248","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M+H)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"1133","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"GLUCOSE (CAS# 50-99-7); (2M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"16652","S00018540":"14806","S00018541":"17921","S00018542":"","S00018543":"6698","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"15180","S00018549":"15998","S00018550":"7678","S00018552":"9651","S00018553":"12839","S00018554":"30685","S00018555":"","S00018556":"","S00018558":"","S00018559":"9968","S00018561":"11732","S00018562":"13012","S00018563":"4409","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"15080","S00018571":"12095","S00018572":"5522","S00018573":"10560","S00018574":"11082","S00018575":"10163","S00018576":"","S00018577":"5006","S00018578":"4338","S00018579":"","S00018580":"15296","S00018581":"9023"},{"Metabolite":"GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O]","S00018536":"63784","S00018537":"29287","S00018538":"19931","S00018539":"27490","S00018540":"25045","S00018541":"37631","S00018542":"39437","S00018543":"30867","S00018544":"34444","S00018545":"","S00018546":"42080","S00018547":"38858","S00018548":"27870","S00018549":"22333","S00018550":"23922","S00018552":"14456","S00018553":"30347","S00018554":"30394","S00018555":"31600","S00018556":"26390","S00018558":"18795","S00018559":"15021","S00018561":"15967","S00018562":"23477","S00018563":"17630","S00018564":"24044","S00018565":"32464","S00018566":"19201","S00018567":"31439","S00018568":"26417","S00018569":"25275","S00018570":"27147","S00018571":"24559","S00018572":"34028","S00018573":"65496","S00018574":"20085","S00018575":"17069","S00018576":"23190","S00018577":"26374","S00018578":"22156","S00018579":"26551","S00018580":"78188","S00018581":"19518"},{"Metabolite":"GLUCOSE (CAS# 50-99-7); (M+NA)+","S00018536":"5021336","S00018537":"3588663","S00018538":"","S00018539":"4346362","S00018540":"3876614","S00018541":"4564791","S00018542":"3767841","S00018543":"807189","S00018544":"","S00018545":"2353455","S00018546":"4581408","S00018547":"4240742","S00018548":"3606046","S00018549":"3948076","S00018550":"3367816","S00018552":"839953","S00018553":"","S00018554":"920639","S00018555":"4337446","S00018556":"4153276","S00018558":"686445","S00018559":"2942161","S00018561":"3207258","S00018562":"3482396","S00018563":"3482328","S00018564":"","S00018565":"2274507","S00018566":"","S00018567":"2162498","S00018568":"","S00018569":"","S00018570":"4259959","S00018571":"3819501","S00018572":"3718197","S00018573":"3178257","S00018574":"3467277","S00018575":"3171690","S00018576":"901781","S00018577":"3215112","S00018578":"2886265","S00018579":"","S00018580":"","S00018581":"2686822"},{"Metabolite":"GLUTAMATE (CAS# 56-86-0); (M+H)+","S00018536":"","S00018537":"","S00018538":"34968","S00018539":"216762","S00018540":"275031","S00018541":"258722","S00018542":"25216","S00018543":"141828","S00018544":"174327","S00018545":"17019","S00018546":"146419","S00018547":"192569","S00018548":"218080","S00018549":"194374","S00018550":"","S00018552":"","S00018553":"91228","S00018554":"22754","S00018555":"213627","S00018556":"19044","S00018558":"33938","S00018559":"","S00018561":"","S00018562":"271733","S00018563":"271941","S00018564":"20429","S00018565":"129412","S00018566":"20559","S00018567":"25299","S00018568":"202767","S00018569":"124150","S00018570":"267439","S00018571":"30657","S00018572":"203923","S00018573":"","S00018574":"177262","S00018575":"143575","S00018576":"15735","S00018577":"20462","S00018578":"26100","S00018579":"12675","S00018580":"18302","S00018581":""},{"Metabolite":"GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O]","S00018536":"110658","S00018537":"143727","S00018538":"","S00018539":"124100","S00018540":"","S00018541":"116890","S00018542":"19709","S00018543":"63500","S00018544":"","S00018545":"17930","S00018546":"20324","S00018547":"","S00018548":"100787","S00018549":"74321","S00018550":"21919","S00018552":"","S00018553":"15425","S00018554":"12571","S00018555":"84520","S00018556":"85901","S00018558":"19580","S00018559":"127015","S00018561":"","S00018562":"27508","S00018563":"130371","S00018564":"28096","S00018565":"","S00018566":"24536","S00018567":"23672","S00018568":"","S00018569":"21882","S00018570":"84212","S00018571":"100861","S00018572":"89722","S00018573":"114569","S00018574":"103922","S00018575":"104843","S00018576":"22404","S00018577":"15769","S00018578":"14632","S00018579":"15485","S00018580":"12178","S00018581":"65539"},{"Metabolite":"GLUTAMINE (CAS# 56-85-9); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"26587","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"GLUTARATE (CAS# 110-94-1); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"1254","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"1063","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":"1992"},{"Metabolite":"GLUTARYLCARNITINE (*) (CAS# 102636-82-8); (M+H)+","S00018536":"1745817","S00018537":"1266342","S00018538":"2887222","S00018539":"1483058","S00018540":"1416748","S00018541":"1374808","S00018542":"1730091","S00018543":"1435045","S00018544":"1711484","S00018545":"1249826","S00018546":"1570588","S00018547":"1616484","S00018548":"1259843","S00018549":"1523251","S00018550":"1141717","S00018552":"993467","S00018553":"1217466","S00018554":"1371112","S00018555":"1252905","S00018556":"1489200","S00018558":"976979","S00018559":"901977","S00018561":"841610","S00018562":"934280","S00018563":"1294381","S00018564":"2540278","S00018565":"1316291","S00018566":"2067868","S00018567":"1059340","S00018568":"1008597","S00018569":"1107622","S00018570":"1206826","S00018571":"1237635","S00018572":"1211663","S00018573":"1061003","S00018574":"1033025","S00018575":"910716","S00018576":"1600050","S00018577":"1024020","S00018578":"965370","S00018579":"1185974","S00018580":"1320402","S00018581":"602700"},{"Metabolite":"GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"2628","S00018562":"2343","S00018563":"1124","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"GLYCERALDEHYDE (CAS# 367-47-5); (2M+H)+[-H2O]","S00018536":"10965","S00018537":"12780","S00018538":"","S00018539":"","S00018540":"","S00018541":"12568","S00018542":"","S00018543":"23191","S00018544":"14108","S00018545":"","S00018546":"","S00018547":"10773","S00018548":"15609","S00018549":"17646","S00018550":"","S00018552":"","S00018553":"29123","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"23002","S00018565":"","S00018566":"14089","S00018567":"","S00018568":"","S00018569":"6827","S00018570":"","S00018571":"8568","S00018572":"","S00018573":"5351","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"19145","S00018580":"","S00018581":""},{"Metabolite":"GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+","S00018536":"","S00018537":"","S00018538":"1477","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"1416","S00018550":"","S00018552":"","S00018553":"1007","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"3923","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+[-H2O]","S00018536":"1181","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"3134","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"1114","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+","S00018536":"11239","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"7093","S00018549":"10418","S00018550":"","S00018552":"","S00018553":"4372","S00018554":"","S00018555":"","S00018556":"","S00018558":"5668","S00018559":"6940","S00018561":"","S00018562":"1245","S00018563":"","S00018564":"1875","S00018565":"","S00018566":"3827","S00018567":"","S00018568":"2587","S00018569":"3358","S00018570":"","S00018571":"5143","S00018572":"25624","S00018573":"3206","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"1196","S00018580":"","S00018581":"1843"},{"Metabolite":"GLYCOCHOLATE (CAS# 475-31-0); (2M+NA)+","S00018536":"2514","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"GLYCOCHOLATE (CAS# 475-31-0); (M+H)+","S00018536":"31483","S00018537":"","S00018538":"4939","S00018539":"","S00018540":"6951","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"2736","S00018550":"","S00018552":"5308","S00018553":"5438","S00018554":"","S00018555":"1417","S00018556":"","S00018558":"","S00018559":"9857","S00018561":"","S00018562":"","S00018563":"3048","S00018564":"","S00018565":"","S00018566":"5448","S00018567":"","S00018568":"8084","S00018569":"6754","S00018570":"","S00018571":"2057","S00018572":"6268","S00018573":"2683","S00018574":"","S00018575":"","S00018576":"","S00018577":"3830","S00018578":"","S00018579":"","S00018580":"1506","S00018581":""},{"Metabolite":"GLYCOCHOLATE (CAS# 475-31-0); (M+H)+[-H2O]","S00018536":"68080","S00018537":"3855","S00018538":"10969","S00018539":"","S00018540":"16605","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"5231","S00018552":"9409","S00018553":"8834","S00018554":"","S00018555":"3378","S00018556":"1072","S00018558":"","S00018559":"21000","S00018561":"5231","S00018562":"13735","S00018563":"3224","S00018564":"7897","S00018565":"","S00018566":"11826","S00018567":"","S00018568":"","S00018569":"17289","S00018570":"","S00018571":"3451","S00018572":"","S00018573":"7105","S00018574":"","S00018575":"","S00018576":"","S00018577":"8621","S00018578":"","S00018579":"7773","S00018580":"","S00018581":"5160"},{"Metabolite":"GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+","S00018536":"319039","S00018537":"26821","S00018538":"56794","S00018539":"19132","S00018540":"83214","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"16869","S00018547":"","S00018548":"50737","S00018549":"31662","S00018550":"31503","S00018552":"49074","S00018553":"51193","S00018554":"53731","S00018555":"29726","S00018556":"","S00018558":"19372","S00018559":"103644","S00018561":"36174","S00018562":"78779","S00018563":"43759","S00018564":"40099","S00018565":"27422","S00018566":"62514","S00018567":"15873","S00018568":"89856","S00018569":"81964","S00018570":"","S00018571":"25342","S00018572":"82888","S00018573":"37113","S00018574":"","S00018575":"","S00018576":"37290","S00018577":"42825","S00018578":"15820","S00018579":"50185","S00018580":"27233","S00018581":"34594"},{"Metabolite":"GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"4871","S00018541":"20896","S00018542":"","S00018543":"","S00018544":"","S00018545":"21281","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"17668","S00018556":"","S00018558":"","S00018559":"9276","S00018561":"","S00018562":"","S00018563":"9867","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"5368","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"2938","S00018543":"","S00018544":"","S00018545":"","S00018546":"6289","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"1025","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"GUANINE (CAS# 73-40-5); (M+H)+","S00018536":"","S00018537":"5192","S00018538":"217742","S00018539":"","S00018540":"","S00018541":"","S00018542":"6287","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"4760","S00018549":"21214","S00018550":"29904","S00018552":"","S00018553":"6694","S00018554":"","S00018555":"","S00018556":"97388","S00018558":"40919","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"81024","S00018566":"111957","S00018567":"75326","S00018568":"62922","S00018569":"59411","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"173824","S00018577":"34196","S00018578":"22882","S00018579":"119104","S00018580":"","S00018581":"51462"},{"Metabolite":"HEXANOYLCARNITINE (*) (CAS# 66279-77-4); M+","S00018536":"13021","S00018537":"18715","S00018538":"19923","S00018539":"20027","S00018540":"9092","S00018541":"16124","S00018542":"13225","S00018543":"11963","S00018544":"14451","S00018545":"9915","S00018546":"14917","S00018547":"13700","S00018548":"10544","S00018549":"9463","S00018550":"11963","S00018552":"9556","S00018553":"7068","S00018554":"6526","S00018555":"11589","S00018556":"10249","S00018558":"9837","S00018559":"14736","S00018561":"14399","S00018562":"15347","S00018563":"12865","S00018564":"5848","S00018565":"14683","S00018566":"11990","S00018567":"9055","S00018568":"6357","S00018569":"12249","S00018570":"7978","S00018571":"7833","S00018572":"10619","S00018573":"15807","S00018574":"14928","S00018575":"4750","S00018576":"9193","S00018577":"3600","S00018578":"4606","S00018579":"9918","S00018580":"2879","S00018581":"3986"},{"Metabolite":"HIPPURATE (CAS# 495-69-2); (M+H)+","S00018536":"160874","S00018537":"275300","S00018538":"257273","S00018539":"111566","S00018540":"94983","S00018541":"226728","S00018542":"269952","S00018543":"286520","S00018544":"180312","S00018545":"476467","S00018546":"270497","S00018547":"319493","S00018548":"97739","S00018549":"222154","S00018550":"100372","S00018552":"301460","S00018553":"385122","S00018554":"118477","S00018555":"164296","S00018556":"135841","S00018558":"118901","S00018559":"80392","S00018561":"89932","S00018562":"74993","S00018563":"125988","S00018564":"172651","S00018565":"177217","S00018566":"126424","S00018567":"317939","S00018568":"376870","S00018569":"340698","S00018570":"177658","S00018571":"77896","S00018572":"132545","S00018573":"148033","S00018574":"94164","S00018575":"106637","S00018576":"176688","S00018577":"179454","S00018578":"228580","S00018579":"363094","S00018580":"236884","S00018581":"316934"},{"Metabolite":"HIPPURATE (CAS# 495-69-2); (M+NA)+","S00018536":"282711","S00018537":"480715","S00018538":"460671","S00018539":"189844","S00018540":"162482","S00018541":"388552","S00018542":"470348","S00018543":"503564","S00018544":"312255","S00018545":"848282","S00018546":"473258","S00018547":"549414","S00018548":"159096","S00018549":"390076","S00018550":"175897","S00018552":"533393","S00018553":"687209","S00018554":"202594","S00018555":"280760","S00018556":"239157","S00018558":"206158","S00018559":"144723","S00018561":"159855","S00018562":"135897","S00018563":"222060","S00018564":"317252","S00018565":"322245","S00018566":"240967","S00018567":"580343","S00018568":"706184","S00018569":"639926","S00018570":"329406","S00018571":"148869","S00018572":"249176","S00018573":"279327","S00018574":"173184","S00018575":"196969","S00018576":"338828","S00018577":"337361","S00018578":"420086","S00018579":"681297","S00018580":"435791","S00018581":"584373"},{"Metabolite":"HISTAMINE (CAS# 51-45-6); (M+H)+","S00018536":"12616","S00018537":"13805","S00018538":"13757","S00018539":"","S00018540":"6704","S00018541":"13714","S00018542":"12711","S00018543":"14391","S00018544":"12791","S00018545":"12172","S00018546":"15722","S00018547":"17234","S00018548":"","S00018549":"54338","S00018550":"15157","S00018552":"","S00018553":"","S00018554":"15460","S00018555":"","S00018556":"8226","S00018558":"11665","S00018559":"12636","S00018561":"7626","S00018562":"9483","S00018563":"5790","S00018564":"17430","S00018565":"13412","S00018566":"16210","S00018567":"10437","S00018568":"14103","S00018569":"11998","S00018570":"18242","S00018571":"9686","S00018572":"8479","S00018573":"15610","S00018574":"19860","S00018575":"8812","S00018576":"18549","S00018577":"13917","S00018578":"19091","S00018579":"27789","S00018580":"","S00018581":"14967"},{"Metabolite":"HISTAMINE (CAS# 51-45-6); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"1600","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"HOMOCYSTEINE (CAS# 454-29-5); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"43528","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"54678","S00018566":"33700","S00018567":"48612","S00018568":"41817","S00018569":"34108","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"57139","S00018577":"43484","S00018578":"43246","S00018579":"57154","S00018580":"","S00018581":""},{"Metabolite":"HOMOCYSTINE (CAS# 462-10-2); (M+H)+","S00018536":"","S00018537":"","S00018538":"1441","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"1616","S00018571":"","S00018572":"","S00018573":"","S00018574":"2934","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"HOMOGENTISATE (CAS# 451-13-8); (M+H)+","S00018536":"","S00018537":"43114","S00018538":"49741","S00018539":"","S00018540":"28426","S00018541":"","S00018542":"","S00018543":"29969","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"34718","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"2185","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"19965","S00018568":"","S00018569":"50020","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"HOMOSERINE (CAS# 672-15-1); (M+NA)+","S00018536":"","S00018537":"10722","S00018538":"","S00018539":"10006","S00018540":"8736","S00018541":"","S00018542":"5249","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"7368","S00018550":"","S00018552":"","S00018553":"","S00018554":"4401","S00018555":"","S00018556":"6799","S00018558":"5421","S00018559":"12807","S00018561":"","S00018562":"","S00018563":"6539","S00018564":"","S00018565":"4763","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"6350","S00018573":"","S00018574":"7515","S00018575":"5104","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"HOMOVANILLATE (CAS# 306-08-1); (M+H)+","S00018536":"","S00018537":"8159","S00018538":"6051","S00018539":"","S00018540":"","S00018541":"14917","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"11560","S00018554":"4912","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"7150","S00018566":"","S00018567":"10358","S00018568":"11742","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"7303","S00018576":"","S00018577":"","S00018578":"","S00018579":"6760","S00018580":"","S00018581":""},{"Metabolite":"IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+H)+[-H2O]","S00018536":"","S00018537":"","S00018538":"4587","S00018539":"","S00018540":"27286","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"12888","S00018553":"31901","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"44585","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"46920","S00018569":"","S00018570":"","S00018571":"30479","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"11461","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+NA)+","S00018536":"4050","S00018537":"","S00018538":"","S00018539":"3495","S00018540":"6566","S00018541":"3482","S00018542":"4888","S00018543":"","S00018544":"4160","S00018545":"5308","S00018546":"3945","S00018547":"1911","S00018548":"","S00018549":"1864","S00018550":"","S00018552":"","S00018553":"","S00018554":"1586","S00018555":"5301","S00018556":"","S00018558":"","S00018559":"1962","S00018561":"3971","S00018562":"3942","S00018563":"3342","S00018564":"","S00018565":"1575","S00018566":"","S00018567":"2244","S00018568":"2049","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"4151","S00018574":"","S00018575":"5164","S00018576":"","S00018577":"1282","S00018578":"1036","S00018579":"","S00018580":"2101","S00018581":"1205"},{"Metabolite":"IMIDAZOLE-4-ACETATE (CAS# 645-65-8); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"1004","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"2888","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":"1234"},{"Metabolite":"INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+","S00018536":"826379","S00018537":"522662","S00018538":"725049","S00018539":"775147","S00018540":"81744","S00018541":"558318","S00018542":"487936","S00018543":"1144647","S00018544":"691537","S00018545":"679797","S00018546":"677690","S00018547":"651555","S00018548":"195529","S00018549":"559819","S00018550":"266030","S00018552":"810144","S00018553":"797503","S00018554":"517776","S00018555":"602636","S00018556":"622100","S00018558":"914515","S00018559":"1229409","S00018561":"246559","S00018562":"","S00018563":"","S00018564":"674029","S00018565":"","S00018566":"758768","S00018567":"132122","S00018568":"206285","S00018569":"452421","S00018570":"221880","S00018571":"199032","S00018572":"","S00018573":"588330","S00018574":"697898","S00018575":"96145","S00018576":"690661","S00018577":"555770","S00018578":"675713","S00018579":"991097","S00018580":"376221","S00018581":"273473"},{"Metabolite":"INDOLE-3-ACETAMIDE (CAS# 879-37-8); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"1127","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"INDOLE-3-ACETAMIDE (CAS# 879-37-8); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"4337","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"INDOLE-3-ACETATE (CAS# 87-51-4); (M+H)+","S00018536":"13086","S00018537":"18173","S00018538":"22627","S00018539":"21809","S00018540":"13028","S00018541":"27323","S00018542":"17399","S00018543":"46154","S00018544":"21236","S00018545":"29036","S00018546":"17908","S00018547":"21288","S00018548":"16983","S00018549":"105048","S00018550":"15620","S00018552":"26608","S00018553":"22994","S00018554":"18194","S00018555":"14616","S00018556":"39057","S00018558":"17784","S00018559":"13307","S00018561":"15613","S00018562":"13552","S00018563":"10126","S00018564":"16082","S00018565":"11986","S00018566":"16421","S00018567":"19180","S00018568":"14118","S00018569":"10921","S00018570":"22910","S00018571":"16041","S00018572":"25927","S00018573":"24171","S00018574":"17943","S00018575":"18239","S00018576":"19396","S00018577":"15890","S00018578":"14138","S00018579":"25090","S00018580":"17691","S00018581":"17350"},{"Metabolite":"INDOLE-3-ACETATE (CAS# 87-51-4); (M+NA)+","S00018536":"6594","S00018537":"6723","S00018538":"6330","S00018539":"5796","S00018540":"5267","S00018541":"12535","S00018542":"6052","S00018543":"17865","S00018544":"8262","S00018545":"10350","S00018546":"8386","S00018547":"9497","S00018548":"5741","S00018549":"49337","S00018550":"5330","S00018552":"10466","S00018553":"10294","S00018554":"8261","S00018555":"","S00018556":"16085","S00018558":"8033","S00018559":"4709","S00018561":"6906","S00018562":"3898","S00018563":"4971","S00018564":"4886","S00018565":"","S00018566":"","S00018567":"","S00018568":"6919","S00018569":"4452","S00018570":"10858","S00018571":"7221","S00018572":"12085","S00018573":"9245","S00018574":"10277","S00018575":"8916","S00018576":"10494","S00018577":"6999","S00018578":"","S00018579":"12202","S00018580":"7585","S00018581":"7705"},{"Metabolite":"INDOLE-3-ETHANOL (CAS# 526-55-6); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"3703","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ISO-BUTYRYLCARNITINE (*) (CAS# 25576-40-3); (M+H)+","S00018536":"136393","S00018537":"231487","S00018538":"496253","S00018539":"148457","S00018540":"137234","S00018541":"179875","S00018542":"588040","S00018543":"568081","S00018544":"695216","S00018545":"717634","S00018546":"160512","S00018547":"217496","S00018548":"256844","S00018549":"568280","S00018550":"531954","S00018552":"218926","S00018553":"434436","S00018554":"265405","S00018555":"335627","S00018556":"533669","S00018558":"146396","S00018559":"94740","S00018561":"107718","S00018562":"119324","S00018563":"108752","S00018564":"280155","S00018565":"878347","S00018566":"480811","S00018567":"276934","S00018568":"246493","S00018569":"192455","S00018570":"318052","S00018571":"131676","S00018572":"214772","S00018573":"229407","S00018574":"93108","S00018575":"68818","S00018576":"548990","S00018577":"240241","S00018578":"395308","S00018579":"680284","S00018580":"411301","S00018581":"299734"},{"Metabolite":"ISOLEUCINE (CAS# 73-32-5); (M+H)+","S00018536":"37800000","S00018537":"33900000","S00018538":"56600000","S00018539":"33300000","S00018540":"32700000","S00018541":"33800000","S00018542":"38000000","S00018543":"37100000","S00018544":"36600000","S00018545":"33400000","S00018546":"37700000","S00018547":"37900000","S00018548":"28600000","S00018549":"32500000","S00018550":"26400000","S00018552":"31800000","S00018553":"35200000","S00018554":"31400000","S00018555":"29800000","S00018556":"31100000","S00018558":"30900000","S00018559":"30700000","S00018561":"26400000","S00018562":"28400000","S00018563":"27900000","S00018564":"44300000","S00018565":"30200000","S00018566":"41200000","S00018567":"25800000","S00018568":"29200000","S00018569":"27300000","S00018570":"27200000","S00018571":"24800000","S00018572":"25400000","S00018573":"25700000","S00018574":"24100000","S00018575":"22300000","S00018576":"31700000","S00018577":"26200000","S00018578":"27000000","S00018579":"31100000","S00018580":"28000000","S00018581":"21500000"},{"Metabolite":"ISOLEUCINE (CAS# 73-32-5); (M+NA)+","S00018536":"122269","S00018537":"106818","S00018538":"158957","S00018539":"111987","S00018540":"","S00018541":"97652","S00018542":"","S00018543":"114048","S00018544":"110519","S00018545":"","S00018546":"111363","S00018547":"107611","S00018548":"71077","S00018549":"87931","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"104506","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"78847","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"40923","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"ISOVALERYLCARNITINE (*) (CAS# 31023-24-2); (M+H)+","S00018536":"75228","S00018537":"83966","S00018538":"94427","S00018539":"68107","S00018540":"66962","S00018541":"56273","S00018542":"158499","S00018543":"170360","S00018544":"171503","S00018545":"144492","S00018546":"101626","S00018547":"108399","S00018548":"68154","S00018549":"113368","S00018550":"100693","S00018552":"65617","S00018553":"107730","S00018554":"96367","S00018555":"87160","S00018556":"97243","S00018558":"117430","S00018559":"83823","S00018561":"69775","S00018562":"61332","S00018563":"52162","S00018564":"99454","S00018565":"186088","S00018566":"157307","S00018567":"82859","S00018568":"85071","S00018569":"65349","S00018570":"83023","S00018571":"50103","S00018572":"74482","S00018573":"63869","S00018574":"51002","S00018575":"26605","S00018576":"143894","S00018577":"61104","S00018578":"124281","S00018579":"115358","S00018580":"68811","S00018581":"44462"},{"Metabolite":"JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"1079","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"KYNURENIC ACID (CAS# 492-27-3); (M+H)+","S00018536":"23328","S00018537":"37673","S00018538":"16898","S00018539":"22201","S00018540":"","S00018541":"27383","S00018542":"","S00018543":"30212","S00018544":"34332","S00018545":"49502","S00018546":"22586","S00018547":"28110","S00018548":"","S00018549":"24183","S00018550":"11381","S00018552":"41028","S00018553":"21767","S00018554":"21258","S00018555":"16647","S00018556":"13465","S00018558":"25680","S00018559":"14548","S00018561":"28021","S00018562":"16447","S00018563":"","S00018564":"28223","S00018565":"","S00018566":"10901","S00018567":"26432","S00018568":"39371","S00018569":"10195","S00018570":"25423","S00018571":"17912","S00018572":"","S00018573":"23894","S00018574":"","S00018575":"","S00018576":"30347","S00018577":"21600","S00018578":"","S00018579":"33565","S00018580":"12570","S00018581":"24764"},{"Metabolite":"KYNURENIC ACID (CAS# 492-27-3); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"1636","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"1477","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"1196","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"1801","S00018566":"","S00018567":"","S00018568":"1053","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"KYNURENINE (CAS# 343-65-7); (M+H)+","S00018536":"296144","S00018537":"389386","S00018538":"273114","S00018539":"334606","S00018540":"203758","S00018541":"230787","S00018542":"182822","S00018543":"467231","S00018544":"453782","S00018545":"430014","S00018546":"295588","S00018547":"206660","S00018548":"203021","S00018549":"196616","S00018550":"66198","S00018552":"476898","S00018553":"265267","S00018554":"151192","S00018555":"226985","S00018556":"161104","S00018558":"257467","S00018559":"260935","S00018561":"434060","S00018562":"357337","S00018563":"114208","S00018564":"192861","S00018565":"275268","S00018566":"96357","S00018567":"167140","S00018568":"341876","S00018569":"166081","S00018570":"150896","S00018571":"207739","S00018572":"455889","S00018573":"488621","S00018574":"230217","S00018575":"221767","S00018576":"289626","S00018577":"283803","S00018578":"376452","S00018579":"233478","S00018580":"227009","S00018581":"122999"},{"Metabolite":"KYNURENINE (CAS# 343-65-7); (M+NA)+","S00018536":"2408","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"3428","S00018543":"","S00018544":"5945","S00018545":"4682","S00018546":"","S00018547":"2913","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"6214","S00018562":"2904","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"4126","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"4298","S00018577":"","S00018578":"3247","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O]","S00018536":"37744","S00018537":"7341","S00018538":"","S00018539":"30319","S00018540":"6130","S00018541":"28708","S00018542":"","S00018543":"5256","S00018544":"5551","S00018545":"3678","S00018546":"23387","S00018547":"23276","S00018548":"5633","S00018549":"","S00018550":"5556","S00018552":"","S00018553":"","S00018554":"","S00018555":"59232","S00018556":"3892","S00018558":"","S00018559":"65829","S00018561":"22556","S00018562":"","S00018563":"20540","S00018564":"","S00018565":"","S00018566":"3437","S00018567":"2767","S00018568":"","S00018569":"","S00018570":"20502","S00018571":"","S00018572":"","S00018573":"5342","S00018574":"","S00018575":"14889","S00018576":"","S00018577":"3583","S00018578":"","S00018579":"3293","S00018580":"3490","S00018581":""},{"Metabolite":"L-ARGININE (CAS# 74-79-3); (M+H)+","S00018536":"","S00018537":"25712","S00018538":"126176","S00018539":"27337","S00018540":"14538","S00018541":"24117","S00018542":"39770","S00018543":"3698","S00018544":"21443","S00018545":"15959","S00018546":"15026","S00018547":"16698","S00018548":"18121","S00018549":"21534","S00018550":"19670","S00018552":"65354","S00018553":"34098","S00018554":"24193","S00018555":"21338","S00018556":"34615","S00018558":"49177","S00018559":"35670","S00018561":"48122","S00018562":"41841","S00018563":"85803","S00018564":"449419","S00018565":"74388","S00018566":"292243","S00018567":"62156","S00018568":"43726","S00018569":"60255","S00018570":"6738","S00018571":"50761","S00018572":"20151","S00018573":"26642","S00018574":"13163","S00018575":"4251","S00018576":"35344","S00018577":"25095","S00018578":"39895","S00018579":"49093","S00018580":"13142","S00018581":"37906"},{"Metabolite":"L-ARGININE (CAS# 74-79-3); (M+NA)+","S00018536":"17599","S00018537":"36765","S00018538":"87318","S00018539":"35812","S00018540":"23456","S00018541":"33008","S00018542":"47955","S00018543":"","S00018544":"30762","S00018545":"25584","S00018546":"22219","S00018547":"26077","S00018548":"21995","S00018549":"31830","S00018550":"22182","S00018552":"61223","S00018553":"40791","S00018554":"31443","S00018555":"30484","S00018556":"33151","S00018558":"54168","S00018559":"47056","S00018561":"51270","S00018562":"46125","S00018563":"62832","S00018564":"122163","S00018565":"57878","S00018566":"118820","S00018567":"45666","S00018568":"43445","S00018569":"50863","S00018570":"11029","S00018571":"44345","S00018572":"29581","S00018573":"29854","S00018574":"19659","S00018575":"6836","S00018576":"35580","S00018577":"31032","S00018578":"44628","S00018579":"57535","S00018580":"20654","S00018581":"38367"},{"Metabolite":"L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"1456","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"L-HISTIDINE (CAS# 71-00-1); (M+H)+","S00018536":"6359","S00018537":"5890","S00018538":"28550","S00018539":"","S00018540":"10658","S00018541":"2815","S00018542":"10471","S00018543":"","S00018544":"8796","S00018545":"9702","S00018546":"4768","S00018547":"4644","S00018548":"10980","S00018549":"11169","S00018550":"11414","S00018552":"15138","S00018553":"11437","S00018554":"10080","S00018555":"8511","S00018556":"10570","S00018558":"12433","S00018559":"11612","S00018561":"35322","S00018562":"7065","S00018563":"5814","S00018564":"28388","S00018565":"8222","S00018566":"10919","S00018567":"10532","S00018568":"8406","S00018569":"9410","S00018570":"11822","S00018571":"8817","S00018572":"11056","S00018573":"7750","S00018574":"10694","S00018575":"3681","S00018576":"12251","S00018577":"8248","S00018578":"9469","S00018579":"9910","S00018580":"8762","S00018581":"8633"},{"Metabolite":"L-HISTIDINE (CAS# 71-00-1); (M+NA)+","S00018536":"","S00018537":"","S00018538":"23047","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"5515","S00018545":"","S00018546":"","S00018547":"","S00018548":"5574","S00018549":"6546","S00018550":"9007","S00018552":"13277","S00018553":"6766","S00018554":"7212","S00018555":"8087","S00018556":"6956","S00018558":"3924","S00018559":"","S00018561":"5790","S00018562":"6113","S00018563":"","S00018564":"13466","S00018565":"","S00018566":"9143","S00018567":"6920","S00018568":"","S00018569":"7452","S00018570":"9847","S00018571":"6213","S00018572":"7148","S00018573":"","S00018574":"","S00018575":"","S00018576":"9833","S00018577":"9187","S00018578":"8278","S00018579":"8209","S00018580":"5956","S00018581":"7963"},{"Metabolite":"L-ORNITHINE (CAS# 70-26-8); (M+H)+","S00018536":"48633","S00018537":"44641","S00018538":"149045","S00018539":"57407","S00018540":"48109","S00018541":"73479","S00018542":"49237","S00018543":"40044","S00018544":"63094","S00018545":"43687","S00018546":"","S00018547":"63348","S00018548":"48112","S00018549":"49573","S00018550":"47924","S00018552":"82058","S00018553":"67873","S00018554":"44946","S00018555":"","S00018556":"48884","S00018558":"32372","S00018559":"","S00018561":"35608","S00018562":"49402","S00018563":"30135","S00018564":"49211","S00018565":"34810","S00018566":"52228","S00018567":"30165","S00018568":"48116","S00018569":"46934","S00018570":"43444","S00018571":"40047","S00018572":"31418","S00018573":"41079","S00018574":"48675","S00018575":"","S00018576":"53816","S00018577":"40491","S00018578":"38602","S00018579":"39972","S00018580":"44111","S00018581":"46897"},{"Metabolite":"L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"785902","S00018549":"","S00018550":"776354","S00018552":"","S00018553":"748329","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"732974","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"LACTOSE (CAS# 63-42-3); (M+NA)+","S00018536":"63784","S00018537":"29287","S00018538":"19931","S00018539":"33129","S00018540":"25504","S00018541":"37427","S00018542":"39437","S00018543":"30867","S00018544":"34444","S00018545":"27718","S00018546":"42640","S00018547":"38858","S00018548":"27870","S00018549":"22333","S00018550":"23922","S00018552":"14456","S00018553":"30347","S00018554":"32343","S00018555":"31600","S00018556":"26390","S00018558":"18795","S00018559":"15067","S00018561":"15967","S00018562":"23477","S00018563":"17630","S00018564":"24044","S00018565":"30577","S00018566":"21054","S00018567":"31470","S00018568":"26417","S00018569":"25450","S00018570":"27147","S00018571":"22912","S00018572":"35329","S00018573":"65496","S00018574":"20085","S00018575":"17069","S00018576":"25247","S00018577":"26374","S00018578":"22166","S00018579":"26551","S00018580":"78188","S00018581":"18550"},{"Metabolite":"LANOSTEROL (CAS# 79-63-0); (M+NA)+","S00018536":"3621","S00018537":"","S00018538":"9190","S00018539":"4529","S00018540":"4357","S00018541":"","S00018542":"4954","S00018543":"5657","S00018544":"11646","S00018545":"","S00018546":"","S00018547":"4866","S00018548":"","S00018549":"4472","S00018550":"2720","S00018552":"","S00018553":"","S00018554":"","S00018555":"5932","S00018556":"4908","S00018558":"","S00018559":"2793","S00018561":"4521","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"4535","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"13194","S00018577":"4222","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"LANTHIONINE (CAS# 3183-08-2); (M+H)+","S00018536":"","S00018537":"","S00018538":"1983","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"3295","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+","S00018536":"9801","S00018537":"11968","S00018538":"7990","S00018539":"12002","S00018540":"8713","S00018541":"8844","S00018542":"6900","S00018543":"9723","S00018544":"7634","S00018545":"7371","S00018546":"7307","S00018547":"","S00018548":"6792","S00018549":"","S00018550":"7944","S00018552":"9004","S00018553":"6514","S00018554":"6577","S00018555":"","S00018556":"6259","S00018558":"12831","S00018559":"11064","S00018561":"11628","S00018562":"15363","S00018563":"9583","S00018564":"3040","S00018565":"9745","S00018566":"6076","S00018567":"7939","S00018568":"7411","S00018569":"8572","S00018570":"6522","S00018571":"6745","S00018572":"","S00018573":"7674","S00018574":"8174","S00018575":"4270","S00018576":"4197","S00018577":"","S00018578":"3738","S00018579":"6274","S00018580":"2802","S00018581":"2621"},{"Metabolite":"LEUCINE (CAS# 328-39-2); (M+H)+","S00018536":"37800000","S00018537":"33900000","S00018538":"56500000","S00018539":"33300000","S00018540":"32700000","S00018541":"33800000","S00018542":"37900000","S00018543":"37100000","S00018544":"36600000","S00018545":"33400000","S00018546":"37700000","S00018547":"37900000","S00018548":"28600000","S00018549":"32400000","S00018550":"26400000","S00018552":"31800000","S00018553":"35200000","S00018554":"31400000","S00018555":"29800000","S00018556":"31100000","S00018558":"30900000","S00018559":"30700000","S00018561":"26400000","S00018562":"28400000","S00018563":"27900000","S00018564":"44300000","S00018565":"30200000","S00018566":"41200000","S00018567":"25800000","S00018568":"29200000","S00018569":"27200000","S00018570":"27200000","S00018571":"24800000","S00018572":"25400000","S00018573":"25700000","S00018574":"24100000","S00018575":"22300000","S00018576":"31700000","S00018577":"26200000","S00018578":"27000000","S00018579":"31100000","S00018580":"27900000","S00018581":"21500000"},{"Metabolite":"LEUCINE (CAS# 328-39-2); (M+NA)+","S00018536":"122269","S00018537":"106818","S00018538":"158957","S00018539":"111987","S00018540":"","S00018541":"97652","S00018542":"","S00018543":"114048","S00018544":"110519","S00018545":"","S00018546":"111363","S00018547":"107611","S00018548":"71077","S00018549":"87931","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"104506","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"78847","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"40923","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"3271","S00018542":"2450","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"1790","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"1538","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O]","S00018536":"2642","S00018537":"2031","S00018538":"","S00018539":"","S00018540":"5415","S00018541":"4364","S00018542":"1361","S00018543":"2792","S00018544":"","S00018545":"1747","S00018546":"","S00018547":"","S00018548":"3172","S00018549":"","S00018550":"","S00018552":"1079","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"3663","S00018559":"","S00018561":"5525","S00018562":"4543","S00018563":"9227","S00018564":"","S00018565":"","S00018566":"","S00018567":"3368","S00018568":"1757","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"2942","S00018574":"","S00018575":"","S00018576":"75446","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+","S00018536":"61295","S00018537":"102816","S00018538":"26106","S00018539":"46557","S00018540":"154984","S00018541":"178150","S00018542":"107700","S00018543":"55653","S00018544":"52738","S00018545":"73824","S00018546":"117777","S00018547":"103405","S00018548":"45342","S00018549":"44252","S00018550":"17032","S00018552":"23354","S00018553":"63663","S00018554":"35706","S00018555":"50628","S00018556":"10478","S00018558":"74459","S00018559":"49243","S00018561":"143638","S00018562":"112992","S00018563":"189546","S00018564":"6995","S00018565":"62998","S00018566":"20157","S00018567":"95624","S00018568":"118362","S00018569":"49061","S00018570":"20661","S00018571":"36325","S00018572":"32606","S00018573":"44787","S00018574":"15426","S00018575":"44865","S00018576":"12959","S00018577":"12408","S00018578":"51450","S00018579":"13042","S00018580":"57643","S00018581":"26623"},{"Metabolite":"LINOLEOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+","S00018536":"17066","S00018537":"22832","S00018538":"17592","S00018539":"20858","S00018540":"21985","S00018541":"21414","S00018542":"14045","S00018543":"17165","S00018544":"15837","S00018545":"9622","S00018546":"16640","S00018547":"9738","S00018548":"13021","S00018549":"13420","S00018550":"14005","S00018552":"14179","S00018553":"10583","S00018554":"9759","S00018555":"17848","S00018556":"10151","S00018558":"23022","S00018559":"22312","S00018561":"20580","S00018562":"19210","S00018563":"20302","S00018564":"7153","S00018565":"16487","S00018566":"18952","S00018567":"11550","S00018568":"9359","S00018569":"11023","S00018570":"10597","S00018571":"17406","S00018572":"23329","S00018573":"14293","S00018574":"15499","S00018575":"9327","S00018576":"7953","S00018577":"8286","S00018578":"6845","S00018579":"11313","S00018580":"","S00018581":"4447"},{"Metabolite":"LIPOAMIDE (CAS# 940-69-2); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"5496","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"2209","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"1120","S00018547":"","S00018548":"1397","S00018549":"","S00018550":"2278","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"4491","S00018566":"2496","S00018567":"","S00018568":"2720","S00018569":"4294","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"3834","S00018577":"","S00018578":"","S00018579":"2211","S00018580":"1523","S00018581":""},{"Metabolite":"LYSINE (CAS# 56-87-1); (M+H)+","S00018536":"89802","S00018537":"96854","S00018538":"310141","S00018539":"105650","S00018540":"88845","S00018541":"98717","S00018542":"77803","S00018543":"81601","S00018544":"94308","S00018545":"80179","S00018546":"85294","S00018547":"96621","S00018548":"102820","S00018549":"84105","S00018550":"87472","S00018552":"141315","S00018553":"97987","S00018554":"81615","S00018555":"79124","S00018556":"76337","S00018558":"68087","S00018559":"90224","S00018561":"77215","S00018562":"77048","S00018563":"","S00018564":"313830","S00018565":"67398","S00018566":"","S00018567":"59403","S00018568":"48808","S00018569":"50948","S00018570":"89286","S00018571":"84109","S00018572":"66853","S00018573":"83352","S00018574":"77516","S00018575":"78712","S00018576":"77218","S00018577":"58046","S00018578":"74620","S00018579":"67408","S00018580":"58294","S00018581":"62133"},{"Metabolite":"LYSINE (CAS# 56-87-1); (M+NA)+","S00018536":"","S00018537":"21945","S00018538":"77512","S00018539":"23316","S00018540":"","S00018541":"22840","S00018542":"","S00018543":"","S00018544":"22557","S00018545":"","S00018546":"20198","S00018547":"22292","S00018548":"22910","S00018549":"22628","S00018550":"","S00018552":"33172","S00018553":"","S00018554":"17771","S00018555":"","S00018556":"","S00018558":"","S00018559":"22013","S00018561":"","S00018562":"","S00018563":"16111","S00018564":"70914","S00018565":"","S00018566":"33084","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"17501","S00018574":"18137","S00018575":"19305","S00018576":"17285","S00018577":"13218","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (M+NA)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"2917","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"1640","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"3527","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"MALATE (CAS# 636-61-3); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"6627","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"MALTOSE (CAS# 69-79-4); (M+NA)+","S00018536":"63784","S00018537":"29287","S00018538":"19931","S00018539":"33129","S00018540":"25233","S00018541":"37427","S00018542":"39437","S00018543":"30867","S00018544":"38334","S00018545":"32241","S00018546":"42640","S00018547":"38858","S00018548":"27870","S00018549":"22333","S00018550":"23922","S00018552":"14456","S00018553":"30347","S00018554":"30529","S00018555":"31600","S00018556":"26390","S00018558":"18795","S00018559":"15067","S00018561":"15967","S00018562":"23477","S00018563":"17630","S00018564":"24044","S00018565":"32464","S00018566":"21054","S00018567":"31470","S00018568":"26417","S00018569":"25450","S00018570":"27147","S00018571":"24559","S00018572":"35329","S00018573":"65496","S00018574":"20085","S00018575":"17069","S00018576":"25247","S00018577":"26374","S00018578":"22166","S00018579":"26551","S00018580":"78188","S00018581":"19518"},{"Metabolite":"MANNITOL (CAS# 69-65-8); (M+NA)+","S00018536":"36622","S00018537":"","S00018538":"","S00018539":"44796","S00018540":"37468","S00018541":"","S00018542":"36387","S00018543":"33342","S00018544":"","S00018545":"36209","S00018546":"47324","S00018547":"","S00018548":"37559","S00018549":"","S00018550":"","S00018552":"30535","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"36287","S00018559":"32206","S00018561":"36842","S00018562":"35357","S00018563":"","S00018564":"10395","S00018565":"","S00018566":"","S00018567":"30541","S00018568":"27938","S00018569":"27848","S00018570":"","S00018571":"","S00018572":"37902","S00018573":"16852","S00018574":"","S00018575":"","S00018576":"","S00018577":"29972","S00018578":"32867","S00018579":"31537","S00018580":"","S00018581":"29847"},{"Metabolite":"MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"1179","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"2666","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"MELATONIN (CAS# 73-31-4); (M+NA)+","S00018536":"","S00018537":"1922","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"1904","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"4035","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"6693","S00018576":"","S00018577":"","S00018578":"3419","S00018579":"","S00018580":"","S00018581":"3862"},{"Metabolite":"MELIBIOSE (CAS# 585-99-9); (M+NA)+","S00018536":"63784","S00018537":"29287","S00018538":"19931","S00018539":"33129","S00018540":"25233","S00018541":"37427","S00018542":"39437","S00018543":"30867","S00018544":"38334","S00018545":"32241","S00018546":"42640","S00018547":"38858","S00018548":"27870","S00018549":"22333","S00018550":"23922","S00018552":"14456","S00018553":"30347","S00018554":"30529","S00018555":"31600","S00018556":"26390","S00018558":"18795","S00018559":"15067","S00018561":"15967","S00018562":"23477","S00018563":"17630","S00018564":"24044","S00018565":"32464","S00018566":"19201","S00018567":"31470","S00018568":"26417","S00018569":"25275","S00018570":"27147","S00018571":"23146","S00018572":"35329","S00018573":"65496","S00018574":"20085","S00018575":"17069","S00018576":"25247","S00018577":"26374","S00018578":"22156","S00018579":"26551","S00018580":"78188","S00018581":"18267"},{"Metabolite":"METHIONINE (CAS# 63-68-3); (M+H)+","S00018536":"485335","S00018537":"","S00018538":"7434712","S00018539":"","S00018540":"517765","S00018541":"523115","S00018542":"846796","S00018543":"639878","S00018544":"1871452","S00018545":"","S00018546":"838407","S00018547":"1265719","S00018548":"433889","S00018549":"1004601","S00018550":"1049881","S00018552":"1348656","S00018553":"754889","S00018554":"757737","S00018555":"667673","S00018556":"3302735","S00018558":"1611950","S00018559":"615783","S00018561":"1159733","S00018562":"1049779","S00018563":"693237","S00018564":"8619705","S00018565":"3165886","S00018566":"4535051","S00018567":"2502329","S00018568":"2338706","S00018569":"2010611","S00018570":"1612197","S00018571":"525255","S00018572":"515396","S00018573":"","S00018574":"2274623","S00018575":"140634","S00018576":"6268977","S00018577":"1702364","S00018578":"1143538","S00018579":"4215708","S00018580":"489898","S00018581":"2009267"},{"Metabolite":"METHYL ACETOACETATE (CAS# 105-45-3); (2M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"1314","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)+","S00018536":"4510","S00018537":"7814","S00018538":"","S00018539":"4771","S00018540":"","S00018541":"6896","S00018542":"12285","S00018543":"18381","S00018544":"24233","S00018545":"17489","S00018546":"13015","S00018547":"14147","S00018548":"7228","S00018549":"12743","S00018550":"7365","S00018552":"","S00018553":"10085","S00018554":"","S00018555":"8452","S00018556":"12088","S00018558":"9565","S00018559":"","S00018561":"9541","S00018562":"9892","S00018563":"6249","S00018564":"12112","S00018565":"11371","S00018566":"","S00018567":"","S00018568":"16254","S00018569":"15659","S00018570":"12286","S00018571":"","S00018572":"14460","S00018573":"","S00018574":"7752","S00018575":"4011","S00018576":"31880","S00018577":"12065","S00018578":"13315","S00018579":"16815","S00018580":"10041","S00018581":"16040"},{"Metabolite":"METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"3510","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"1333","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"2041","S00018580":"","S00018581":""},{"Metabolite":"METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+","S00018536":"42630","S00018537":"40521","S00018538":"39551","S00018539":"34977","S00018540":"37075","S00018541":"40870","S00018542":"37998","S00018543":"44461","S00018544":"45932","S00018545":"40773","S00018546":"35567","S00018547":"37590","S00018548":"35463","S00018549":"36728","S00018550":"45752","S00018552":"47324","S00018553":"35198","S00018554":"38076","S00018555":"37105","S00018556":"43147","S00018558":"36739","S00018559":"49976","S00018561":"40026","S00018562":"37394","S00018563":"37949","S00018564":"31664","S00018565":"33829","S00018566":"43374","S00018567":"34898","S00018568":"36153","S00018569":"37344","S00018570":"47694","S00018571":"34465","S00018572":"59004","S00018573":"45452","S00018574":"36084","S00018575":"35310","S00018576":"42725","S00018577":"35883","S00018578":"35246","S00018579":"42958","S00018580":"35398","S00018581":"33623"},{"Metabolite":"MEVALONIC ACID (CAS# 674-26-0); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"7923","S00018553":"","S00018554":"","S00018555":"10206","S00018556":"6505","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"5012","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"3288","S00018573":"","S00018574":"4851","S00018575":"","S00018576":"","S00018577":"5314","S00018578":"","S00018579":"","S00018580":"","S00018581":"10116"},{"Metabolite":"MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+","S00018536":"","S00018537":"9847","S00018538":"","S00018539":"8141","S00018540":"","S00018541":"25120","S00018542":"10956","S00018543":"8482","S00018544":"8504","S00018545":"9533","S00018546":"6894","S00018547":"15355","S00018548":"13049","S00018549":"8823","S00018550":"7988","S00018552":"","S00018553":"13017","S00018554":"","S00018555":"18900","S00018556":"10394","S00018558":"15892","S00018559":"10429","S00018561":"9983","S00018562":"14410","S00018563":"15591","S00018564":"14133","S00018565":"","S00018566":"4330","S00018567":"23258","S00018568":"17721","S00018569":"17491","S00018570":"","S00018571":"9471","S00018572":"15374","S00018573":"16515","S00018574":"","S00018575":"","S00018576":"","S00018577":"13332","S00018578":"8417","S00018579":"10281","S00018580":"","S00018581":"6790"},{"Metabolite":"MYO-INOSITOL (CAS# 87-89-8); (M+NA)+","S00018536":"4958155","S00018537":"3588663","S00018538":"","S00018539":"4346362","S00018540":"3876614","S00018541":"4564791","S00018542":"3767841","S00018543":"807189","S00018544":"","S00018545":"2353455","S00018546":"4581408","S00018547":"4240742","S00018548":"3606046","S00018549":"3948076","S00018550":"3367816","S00018552":"839953","S00018553":"","S00018554":"920639","S00018555":"4337446","S00018556":"4153276","S00018558":"686445","S00018559":"2942161","S00018561":"3207258","S00018562":"3482396","S00018563":"3482328","S00018564":"","S00018565":"862327","S00018566":"","S00018567":"563635","S00018568":"","S00018569":"","S00018570":"4259959","S00018571":"3819501","S00018572":"3718197","S00018573":"3178257","S00018574":"3467277","S00018575":"3171690","S00018576":"901781","S00018577":"3215112","S00018578":"2886265","S00018579":"","S00018580":"","S00018581":"2686822"},{"Metabolite":"MYRISTOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+","S00018536":"","S00018537":"24693","S00018538":"20071","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"12948","S00018546":"15811","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"21861","S00018562":"36377","S00018563":"","S00018564":"7037","S00018565":"","S00018566":"15791","S00018567":"12690","S00018568":"12922","S00018569":"14051","S00018570":"","S00018571":"","S00018572":"21115","S00018573":"14071","S00018574":"","S00018575":"14439","S00018576":"7040","S00018577":"","S00018578":"","S00018579":"14224","S00018580":"","S00018581":""},{"Metabolite":"N'-NITROSONORNICOTINE (CAS# 80508-23-2); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"1962","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"3365","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":"2561"},{"Metabolite":"N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+","S00018536":"12723","S00018537":"10237","S00018538":"15629","S00018539":"9921","S00018540":"9514","S00018541":"7100","S00018542":"8397","S00018543":"","S00018544":"7813","S00018545":"","S00018546":"4667","S00018547":"8366","S00018548":"10945","S00018549":"8517","S00018550":"9849","S00018552":"","S00018553":"8856","S00018554":"","S00018555":"8614","S00018556":"17058","S00018558":"6664","S00018559":"","S00018561":"7814","S00018562":"","S00018563":"6561","S00018564":"11029","S00018565":"13274","S00018566":"9391","S00018567":"","S00018568":"","S00018569":"7310","S00018570":"12061","S00018571":"12012","S00018572":"9392","S00018573":"8202","S00018574":"6641","S00018575":"8873","S00018576":"9714","S00018577":"","S00018578":"7806","S00018579":"7191","S00018580":"7560","S00018581":"10014"},{"Metabolite":"N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"3248","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"1469","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"3457","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"2513","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"4072","S00018578":"","S00018579":"","S00018580":"","S00018581":"3524"},{"Metabolite":"N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"1065","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"13931","S00018542":"","S00018543":"15920","S00018544":"14484","S00018545":"17098","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"13305","S00018553":"","S00018554":"","S00018555":"15349","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"13931","S00018542":"","S00018543":"14177","S00018544":"14484","S00018545":"17098","S00018546":"","S00018547":"","S00018548":"4105","S00018549":"","S00018550":"","S00018552":"13305","S00018553":"","S00018554":"","S00018555":"15349","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+H)+","S00018536":"41027","S00018537":"29956","S00018538":"21924","S00018539":"63965","S00018540":"42355","S00018541":"51043","S00018542":"56659","S00018543":"65276","S00018544":"67674","S00018545":"63819","S00018546":"102800","S00018547":"78179","S00018548":"20483","S00018549":"20118","S00018550":"17283","S00018552":"30075","S00018553":"29184","S00018554":"28271","S00018555":"32780","S00018556":"37253","S00018558":"18352","S00018559":"33071","S00018561":"26812","S00018562":"29712","S00018563":"36824","S00018564":"14003","S00018565":"47073","S00018566":"51003","S00018567":"36969","S00018568":"60658","S00018569":"41697","S00018570":"39992","S00018571":"25203","S00018572":"14362","S00018573":"32040","S00018574":"25618","S00018575":"34783","S00018576":"32358","S00018577":"24780","S00018578":"42039","S00018579":"41722","S00018580":"54998","S00018581":"20645"},{"Metabolite":"N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+NA)+","S00018536":"53617","S00018537":"38662","S00018538":"","S00018539":"82838","S00018540":"54038","S00018541":"65071","S00018542":"72668","S00018543":"82968","S00018544":"89345","S00018545":"81219","S00018546":"142500","S00018547":"104394","S00018548":"","S00018549":"","S00018550":"","S00018552":"40661","S00018553":"35762","S00018554":"34240","S00018555":"41874","S00018556":"49997","S00018558":"21530","S00018559":"42871","S00018561":"32749","S00018562":"39467","S00018563":"45997","S00018564":"20895","S00018565":"56839","S00018566":"63586","S00018567":"46989","S00018568":"82473","S00018569":"56171","S00018570":"51483","S00018571":"29714","S00018572":"18038","S00018573":"43380","S00018574":"31378","S00018575":"43818","S00018576":"41382","S00018577":"32343","S00018578":"54517","S00018579":"52053","S00018580":"68413","S00018581":"22503"},{"Metabolite":"N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"2992","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"4286","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"11840","S00018547":"","S00018548":"","S00018549":"4387","S00018550":"","S00018552":"","S00018553":"","S00018554":"6149","S00018555":"","S00018556":"","S00018558":"6910","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"15370","S00018568":"12215","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+","S00018536":"","S00018537":"5493","S00018538":"","S00018539":"","S00018540":"","S00018541":"4538","S00018542":"","S00018543":"","S00018544":"","S00018545":"3664","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"5343","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"2834","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"4217","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+","S00018536":"","S00018537":"2912","S00018538":"23335","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"3023","S00018555":"","S00018556":"14148","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"16843","S00018565":"12874","S00018566":"19626","S00018567":"11463","S00018568":"13286","S00018569":"","S00018570":"9413","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"27412","S00018577":"4791","S00018578":"","S00018579":"17962","S00018580":"1168","S00018581":"6223"},{"Metabolite":"N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+","S00018536":"","S00018537":"36086","S00018538":"34968","S00018539":"216762","S00018540":"275031","S00018541":"258722","S00018542":"208906","S00018543":"141828","S00018544":"174327","S00018545":"17019","S00018546":"146419","S00018547":"192569","S00018548":"218080","S00018549":"194374","S00018550":"","S00018552":"","S00018553":"91228","S00018554":"154275","S00018555":"213627","S00018556":"19044","S00018558":"33938","S00018559":"","S00018561":"","S00018562":"271733","S00018563":"271941","S00018564":"106827","S00018565":"129412","S00018566":"20559","S00018567":"190791","S00018568":"202767","S00018569":"124150","S00018570":"267439","S00018571":"30657","S00018572":"203923","S00018573":"","S00018574":"177262","S00018575":"143575","S00018576":"107293","S00018577":"127386","S00018578":"26100","S00018579":"156536","S00018580":"18302","S00018581":""},{"Metabolite":"N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O]","S00018536":"4636042","S00018537":"143727","S00018538":"1809331","S00018539":"156234","S00018540":"107089","S00018541":"5831525","S00018542":"1925805","S00018543":"63500","S00018544":"4793239","S00018545":"17930","S00018546":"68698","S00018547":"2222773","S00018548":"100787","S00018549":"1972389","S00018550":"1786675","S00018552":"2249023","S00018553":"1845296","S00018554":"1666162","S00018555":"4972061","S00018556":"85901","S00018558":"23315","S00018559":"3020593","S00018561":"3563211","S00018562":"33696","S00018563":"138336","S00018564":"28096","S00018565":"1823227","S00018566":"1678456","S00018567":"2680003","S00018568":"2021335","S00018569":"3025824","S00018570":"5045438","S00018571":"110657","S00018572":"99038","S00018573":"6978877","S00018574":"2560846","S00018575":"114950","S00018576":"1683402","S00018577":"15769","S00018578":"38309","S00018579":"54617","S00018580":"34125","S00018581":"4748850"},{"Metabolite":"N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+","S00018536":"9009","S00018537":"","S00018538":"","S00018539":"120054","S00018540":"","S00018541":"57632","S00018542":"6555","S00018543":"","S00018544":"6991","S00018545":"4283","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"6044","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"3862","S00018558":"","S00018559":"95123","S00018561":"","S00018562":"10448","S00018563":"","S00018564":"","S00018565":"","S00018566":"5781","S00018567":"7066","S00018568":"","S00018569":"5228","S00018570":"","S00018571":"","S00018572":"64376","S00018573":"100732","S00018574":"","S00018575":"50826","S00018576":"3439","S00018577":"5667","S00018578":"7861","S00018579":"","S00018580":"5079","S00018581":""},{"Metabolite":"N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"1698","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"2708","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"4431","S00018559":"3162","S00018561":"","S00018562":"","S00018563":"","S00018564":"1103","S00018565":"","S00018566":"","S00018567":"1750","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"3511","S00018581":""},{"Metabolite":"N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+","S00018536":"14634","S00018537":"23642","S00018538":"12454","S00018539":"","S00018540":"20690","S00018541":"14232","S00018542":"","S00018543":"40003","S00018544":"","S00018545":"41974","S00018546":"16488","S00018547":"18087","S00018548":"14406","S00018549":"30134","S00018550":"21741","S00018552":"38609","S00018553":"27622","S00018554":"42839","S00018555":"","S00018556":"27121","S00018558":"20147","S00018559":"25907","S00018561":"24635","S00018562":"21220","S00018563":"39729","S00018564":"8989","S00018565":"20603","S00018566":"16577","S00018567":"24774","S00018568":"21311","S00018569":"19878","S00018570":"30005","S00018571":"31714","S00018572":"35789","S00018573":"23011","S00018574":"22566","S00018575":"18319","S00018576":"","S00018577":"28253","S00018578":"38962","S00018579":"36205","S00018580":"41576","S00018581":"31035"},{"Metabolite":"N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"1862","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+","S00018536":"1659","S00018537":"4824","S00018538":"","S00018539":"5104","S00018540":"","S00018541":"","S00018542":"4736","S00018543":"5847","S00018544":"4069","S00018545":"","S00018546":"3777","S00018547":"5618","S00018548":"","S00018549":"1660","S00018550":"4355","S00018552":"","S00018553":"5371","S00018554":"","S00018555":"1048","S00018556":"","S00018558":"1841","S00018559":"4975","S00018561":"5864","S00018562":"4392","S00018563":"1967","S00018564":"1255","S00018565":"","S00018566":"4972","S00018567":"5545","S00018568":"","S00018569":"2886","S00018570":"4624","S00018571":"3635","S00018572":"","S00018573":"2623","S00018574":"2885","S00018575":"2882","S00018576":"","S00018577":"4647","S00018578":"3864","S00018579":"4793","S00018580":"1070","S00018581":""},{"Metabolite":"N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+","S00018536":"6744","S00018537":"11819","S00018538":"3581","S00018539":"8937","S00018540":"10348","S00018541":"6752","S00018542":"9784","S00018543":"19672","S00018544":"10827","S00018545":"14667","S00018546":"12283","S00018547":"11350","S00018548":"4790","S00018549":"8773","S00018550":"6818","S00018552":"11393","S00018553":"10727","S00018554":"7152","S00018555":"10349","S00018556":"6821","S00018558":"5702","S00018559":"5928","S00018561":"4650","S00018562":"4642","S00018563":"7913","S00018564":"","S00018565":"7963","S00018566":"4244","S00018567":"7268","S00018568":"9590","S00018569":"6752","S00018570":"10426","S00018571":"3012","S00018572":"6518","S00018573":"5157","S00018574":"3636","S00018575":"6313","S00018576":"5621","S00018577":"6201","S00018578":"7732","S00018579":"8130","S00018580":"8527","S00018581":"6270"},{"Metabolite":"N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+","S00018536":"","S00018537":"39057","S00018538":"","S00018539":"","S00018540":"33835","S00018541":"22421","S00018542":"33216","S00018543":"60019","S00018544":"42159","S00018545":"50461","S00018546":"41193","S00018547":"37617","S00018548":"","S00018549":"","S00018550":"","S00018552":"41360","S00018553":"35348","S00018554":"20634","S00018555":"","S00018556":"21877","S00018558":"","S00018559":"19078","S00018561":"","S00018562":"","S00018563":"30248","S00018564":"","S00018565":"25256","S00018566":"","S00018567":"21243","S00018568":"27642","S00018569":"21964","S00018570":"34596","S00018571":"","S00018572":"21593","S00018573":"13787","S00018574":"","S00018575":"21440","S00018576":"24858","S00018577":"17824","S00018578":"","S00018579":"","S00018580":"","S00018581":"19855"},{"Metabolite":"N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+H)+","S00018536":"52239","S00018537":"45374","S00018538":"146259","S00018539":"69367","S00018540":"57473","S00018541":"51987","S00018542":"67072","S00018543":"72943","S00018544":"71373","S00018545":"56949","S00018546":"72250","S00018547":"63373","S00018548":"35341","S00018549":"47041","S00018550":"43159","S00018552":"62501","S00018553":"65064","S00018554":"45218","S00018555":"57535","S00018556":"61088","S00018558":"36916","S00018559":"49837","S00018561":"42438","S00018562":"51766","S00018563":"48029","S00018564":"88414","S00018565":"51891","S00018566":"94324","S00018567":"46971","S00018568":"72957","S00018569":"52287","S00018570":"52294","S00018571":"41486","S00018572":"48018","S00018573":"41055","S00018574":"41263","S00018575":"32359","S00018576":"67206","S00018577":"43967","S00018578":"59759","S00018579":"74066","S00018580":"52070","S00018581":"41250"},{"Metabolite":"N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+","S00018536":"103025","S00018537":"91815","S00018538":"310628","S00018539":"155355","S00018540":"125434","S00018541":"109263","S00018542":"141927","S00018543":"148551","S00018544":"150133","S00018545":"126231","S00018546":"156863","S00018547":"130846","S00018548":"77147","S00018549":"103324","S00018550":"92084","S00018552":"134071","S00018553":"137136","S00018554":"95075","S00018555":"119075","S00018556":"120439","S00018558":"80544","S00018559":"110267","S00018561":"89256","S00018562":"112022","S00018563":"105271","S00018564":"199941","S00018565":"104865","S00018566":"212838","S00018567":"101128","S00018568":"154026","S00018569":"109945","S00018570":"113350","S00018571":"96800","S00018572":"102814","S00018573":"91456","S00018574":"98313","S00018575":"73354","S00018576":"144655","S00018577":"96940","S00018578":"128729","S00018579":"165386","S00018580":"114936","S00018581":"85812"},{"Metabolite":"N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"1065","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+NA)+","S00018536":"6980","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"13931","S00018542":"","S00018543":"12113","S00018544":"10789","S00018545":"17098","S00018546":"","S00018547":"","S00018548":"2839","S00018549":"","S00018550":"","S00018552":"13305","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"12542","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"8324","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"N-ACETYLGLYCINE (CAS# 543-24-8); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"2426","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"1416","S00018579":"3878","S00018580":"","S00018581":""},{"Metabolite":"N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+H)+","S00018536":"36032","S00018537":"33371","S00018538":"11904","S00018539":"35478","S00018540":"32998","S00018541":"21317","S00018542":"26043","S00018543":"19211","S00018544":"11787","S00018545":"15852","S00018546":"27444","S00018547":"25770","S00018548":"21098","S00018549":"19189","S00018550":"19960","S00018552":"9833","S00018553":"","S00018554":"18576","S00018555":"17228","S00018556":"13654","S00018558":"25027","S00018559":"19299","S00018561":"23612","S00018562":"35613","S00018563":"27591","S00018564":"5410","S00018565":"13049","S00018566":"12063","S00018567":"19206","S00018568":"23546","S00018569":"14724","S00018570":"29250","S00018571":"18866","S00018572":"","S00018573":"11848","S00018574":"10123","S00018575":"20628","S00018576":"12084","S00018577":"","S00018578":"","S00018579":"13117","S00018580":"15392","S00018581":"14822"},{"Metabolite":"N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+","S00018536":"18233","S00018537":"21279","S00018538":"8110","S00018539":"21934","S00018540":"15222","S00018541":"17913","S00018542":"14366","S00018543":"13566","S00018544":"14795","S00018545":"14468","S00018546":"17975","S00018547":"15986","S00018548":"11402","S00018549":"12441","S00018550":"11746","S00018552":"14390","S00018553":"10984","S00018554":"","S00018555":"8327","S00018556":"10800","S00018558":"13184","S00018559":"14815","S00018561":"16498","S00018562":"18334","S00018563":"15382","S00018564":"4430","S00018565":"9439","S00018566":"6673","S00018567":"16167","S00018568":"16393","S00018569":"12524","S00018570":"20923","S00018571":"13973","S00018572":"9067","S00018573":"13218","S00018574":"","S00018575":"12149","S00018576":"14272","S00018577":"7386","S00018578":"15517","S00018579":"11759","S00018580":"14466","S00018581":"12792"},{"Metabolite":"N-ACETYLSEROTONIN (CAS# 1210-83-9); (2M+H)+","S00018536":"","S00018537":"","S00018538":"7404","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"N-ACETYLSEROTONIN (CAS# 1210-83-9); (M+H)+","S00018536":"3851","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"2747","S00018543":"4356","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"2995","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"2036","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"1679","S00018579":"","S00018580":"1535","S00018581":""},{"Metabolite":"N-ACETYLSEROTONIN (CAS# 1210-83-9); (M+NA)+","S00018536":"12239","S00018537":"","S00018538":"","S00018539":"17733","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"17954","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"14334","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+","S00018536":"","S00018537":"35599","S00018538":"","S00018539":"37089","S00018540":"41019","S00018541":"20825","S00018542":"44398","S00018543":"48016","S00018544":"47031","S00018545":"44114","S00018546":"22368","S00018547":"44852","S00018548":"","S00018549":"40150","S00018550":"","S00018552":"36146","S00018553":"48305","S00018554":"28437","S00018555":"46504","S00018556":"36293","S00018558":"","S00018559":"24819","S00018561":"25428","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"75585","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"25543","S00018572":"","S00018573":"","S00018574":"22300","S00018575":"33236","S00018576":"24007","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+","S00018536":"4442","S00018537":"","S00018538":"","S00018539":"","S00018540":"7357","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"6737","S00018546":"3977","S00018547":"","S00018548":"6578","S00018549":"5899","S00018550":"8167","S00018552":"4037","S00018553":"","S00018554":"","S00018555":"8900","S00018556":"4777","S00018558":"3260","S00018559":"","S00018561":"7801","S00018562":"","S00018563":"","S00018564":"6786","S00018565":"9724","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"9340","S00018571":"9086","S00018572":"8921","S00018573":"11077","S00018574":"10601","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+","S00018536":"","S00018537":"2433","S00018538":"","S00018539":"3936","S00018540":"","S00018541":"","S00018542":"","S00018543":"3739","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"2856","S00018549":"","S00018550":"4504","S00018552":"","S00018553":"5422","S00018554":"5474","S00018555":"6828","S00018556":"3470","S00018558":"","S00018559":"3732","S00018561":"5294","S00018562":"3701","S00018563":"","S00018564":"4981","S00018565":"6219","S00018566":"","S00018567":"","S00018568":"","S00018569":"2977","S00018570":"4835","S00018571":"6902","S00018572":"6367","S00018573":"5547","S00018574":"8852","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+","S00018536":"","S00018537":"","S00018538":"34968","S00018539":"216762","S00018540":"275031","S00018541":"258722","S00018542":"25216","S00018543":"141828","S00018544":"174327","S00018545":"17019","S00018546":"146419","S00018547":"192569","S00018548":"218080","S00018549":"194374","S00018550":"","S00018552":"","S00018553":"91228","S00018554":"22754","S00018555":"213627","S00018556":"19044","S00018558":"33938","S00018559":"","S00018561":"","S00018562":"271733","S00018563":"271941","S00018564":"20429","S00018565":"129412","S00018566":"20559","S00018567":"25299","S00018568":"202767","S00018569":"124150","S00018570":"267439","S00018571":"30657","S00018572":"203923","S00018573":"","S00018574":"177262","S00018575":"143575","S00018576":"15735","S00018577":"20462","S00018578":"26100","S00018579":"12675","S00018580":"18302","S00018581":""},{"Metabolite":"N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+","S00018536":"9009","S00018537":"","S00018538":"","S00018539":"120054","S00018540":"","S00018541":"57632","S00018542":"6555","S00018543":"","S00018544":"6991","S00018545":"4283","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"6044","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"3862","S00018558":"","S00018559":"8748","S00018561":"","S00018562":"10448","S00018563":"","S00018564":"","S00018565":"","S00018566":"5781","S00018567":"7066","S00018568":"","S00018569":"5228","S00018570":"","S00018571":"","S00018572":"64376","S00018573":"100732","S00018574":"","S00018575":"75026","S00018576":"3439","S00018577":"5667","S00018578":"","S00018579":"","S00018580":"5079","S00018581":""},{"Metabolite":"N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+H)+[-H2O]","S00018536":"26271","S00018537":"66936","S00018538":"","S00018539":"40441","S00018540":"68158","S00018541":"49397","S00018542":"73116","S00018543":"60629","S00018544":"","S00018545":"63286","S00018546":"70180","S00018547":"46030","S00018548":"24799","S00018549":"46859","S00018550":"19956","S00018552":"","S00018553":"65274","S00018554":"35261","S00018555":"61313","S00018556":"28007","S00018558":"22264","S00018559":"14097","S00018561":"46800","S00018562":"53837","S00018563":"49369","S00018564":"24092","S00018565":"","S00018566":"53900","S00018567":"54511","S00018568":"83774","S00018569":"36961","S00018570":"33060","S00018571":"42372","S00018572":"39175","S00018573":"","S00018574":"","S00018575":"40487","S00018576":"32059","S00018577":"45843","S00018578":"57071","S00018579":"52473","S00018580":"53019","S00018581":"50977"},{"Metabolite":"N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"11531","S00018552":"59328","S00018553":"24689","S00018554":"","S00018555":"21970","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"28321","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+[-H2O]","S00018536":"22170","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"32095","S00018543":"26864","S00018544":"","S00018545":"31861","S00018546":"","S00018547":"8237","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"15348","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"NAPROXEN (CAS# 22204-53-1); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"3196","S00018543":"","S00018544":"","S00018545":"1619","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"3212","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"NICOTINAMIDE (CAS# 98-92-0); (M+H)+","S00018536":"298542","S00018537":"","S00018538":"","S00018539":"174126","S00018540":"294340","S00018541":"","S00018542":"126507","S00018543":"285161","S00018544":"188871","S00018545":"169789","S00018546":"228519","S00018547":"364974","S00018548":"267970","S00018549":"173780","S00018550":"243893","S00018552":"","S00018553":"333478","S00018554":"209424","S00018555":"247913","S00018556":"176666","S00018558":"","S00018559":"151757","S00018561":"297037","S00018562":"275228","S00018563":"","S00018564":"133774","S00018565":"9004","S00018566":"354193","S00018567":"169336","S00018568":"363632","S00018569":"221787","S00018570":"241869","S00018571":"149489","S00018572":"291401","S00018573":"169305","S00018574":"270105","S00018575":"","S00018576":"","S00018577":"174957","S00018578":"255095","S00018579":"404889","S00018580":"147397","S00018581":"253024"},{"Metabolite":"NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"1113","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"NICOTINATE (CAS# 59-67-6); (M+H)+","S00018536":"","S00018537":"","S00018538":"10857","S00018539":"","S00018540":"","S00018541":"","S00018542":"26865","S00018543":"","S00018544":"21569","S00018545":"28782","S00018546":"","S00018547":"13642","S00018548":"15640","S00018549":"46414","S00018550":"26960","S00018552":"14295","S00018553":"20826","S00018554":"78562","S00018555":"21054","S00018556":"32406","S00018558":"280205","S00018559":"96377","S00018561":"29636","S00018562":"24558","S00018563":"80624","S00018564":"150750","S00018565":"194316","S00018566":"90813","S00018567":"182471","S00018568":"133086","S00018569":"52055","S00018570":"101603","S00018571":"","S00018572":"62611","S00018573":"63582","S00018574":"39812","S00018575":"","S00018576":"168546","S00018577":"77083","S00018578":"67561","S00018579":"82563","S00018580":"157916","S00018581":"92912"},{"Metabolite":"NONANOATE (CAS# 112-05-0); (M+NA)+","S00018536":"","S00018537":"","S00018538":"1615","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"NORADRENALINE (CAS# 51-41-2); (M+H)+","S00018536":"2130","S00018537":"","S00018538":"","S00018539":"2545","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"3587","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"5569","S00018553":"3565","S00018554":"","S00018555":"","S00018556":"5318","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"3550","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"2031","S00018578":"","S00018579":"2479","S00018580":"","S00018581":""},{"Metabolite":"NORADRENALINE (CAS# 51-41-2); (M+H)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"1031","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"NORLEUCINE (CAS# 327-57-1); (M+H)+","S00018536":"37800000","S00018537":"33900000","S00018538":"56600000","S00018539":"33300000","S00018540":"32700000","S00018541":"33800000","S00018542":"37900000","S00018543":"37100000","S00018544":"36600000","S00018545":"33400000","S00018546":"37700000","S00018547":"37900000","S00018548":"28600000","S00018549":"32500000","S00018550":"26400000","S00018552":"31800000","S00018553":"35200000","S00018554":"31400000","S00018555":"29800000","S00018556":"31100000","S00018558":"30900000","S00018559":"30700000","S00018561":"26400000","S00018562":"28400000","S00018563":"27900000","S00018564":"44300000","S00018565":"30200000","S00018566":"41200000","S00018567":"25800000","S00018568":"29200000","S00018569":"27200000","S00018570":"27200000","S00018571":"24800000","S00018572":"25400000","S00018573":"25700000","S00018574":"24100000","S00018575":"22300000","S00018576":"31700000","S00018577":"26200000","S00018578":"27000000","S00018579":"31100000","S00018580":"28000000","S00018581":"21500000"},{"Metabolite":"NORMETANEPHRINE (CAS# 97-31-4); (M+H)+","S00018536":"3797","S00018537":"3125","S00018538":"","S00018539":"3151","S00018540":"3854","S00018541":"4269","S00018542":"3920","S00018543":"2153","S00018544":"2988","S00018545":"4236","S00018546":"","S00018547":"5000","S00018548":"","S00018549":"2425","S00018550":"","S00018552":"","S00018553":"","S00018554":"2369","S00018555":"","S00018556":"","S00018558":"2086","S00018559":"3736","S00018561":"2725","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"2565","S00018570":"","S00018571":"1456","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"3187","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"NORMETANEPHRINE (CAS# 97-31-4); (M+H)+[-H2O]","S00018536":"918804","S00018537":"843808","S00018538":"76869","S00018539":"1013209","S00018540":"993174","S00018541":"951280","S00018542":"49628","S00018543":"855019","S00018544":"925071","S00018545":"925459","S00018546":"872003","S00018547":"867852","S00018548":"795952","S00018549":"929226","S00018550":"830205","S00018552":"892234","S00018553":"920093","S00018554":"900063","S00018555":"853887","S00018556":"997092","S00018558":"122151","S00018559":"948090","S00018561":"861339","S00018562":"869813","S00018563":"808718","S00018564":"761437","S00018565":"","S00018566":"741621","S00018567":"953243","S00018568":"844208","S00018569":"146677","S00018570":"879620","S00018571":"935781","S00018572":"924854","S00018573":"898895","S00018574":"784411","S00018575":"757035","S00018576":"761614","S00018577":"846354","S00018578":"778943","S00018579":"817622","S00018580":"1092208","S00018581":"744100"},{"Metabolite":"NORVALINE (CAS# 6600-40-4); (M+H)+","S00018536":"3336203","S00018537":"3087127","S00018538":"10100000","S00018539":"1666623","S00018540":"4116059","S00018541":"1417207","S00018542":"6318232","S00018543":"3309774","S00018544":"4184707","S00018545":"4333044","S00018546":"3283605","S00018547":"3532400","S00018548":"3342220","S00018549":"","S00018550":"3026537","S00018552":"5769450","S00018553":"3971050","S00018554":"5462781","S00018555":"3684964","S00018556":"3786776","S00018558":"3534529","S00018559":"3414093","S00018561":"2694370","S00018562":"2785782","S00018563":"3119987","S00018564":"7605618","S00018565":"3666863","S00018566":"4292681","S00018567":"3184333","S00018568":"3630511","S00018569":"3266879","S00018570":"3127671","S00018571":"2906601","S00018572":"2768520","S00018573":"2426614","S00018574":"2548893","S00018575":"1755791","S00018576":"3517917","S00018577":"3214025","S00018578":"2872217","S00018579":"3492695","S00018580":"3350370","S00018581":"2355704"},{"Metabolite":"NORVALINE (CAS# 6600-40-4); M+[-CO2H]","S00018536":"2358919","S00018537":"2135173","S00018538":"4853412","S00018539":"1479276","S00018540":"2243489","S00018541":"1856903","S00018542":"2577483","S00018543":"2061723","S00018544":"2323724","S00018545":"2674110","S00018546":"2095844","S00018547":"1934506","S00018548":"2067361","S00018549":"1833726","S00018550":"1792092","S00018552":"1653156","S00018553":"2035261","S00018554":"2150143","S00018555":"2112016","S00018556":"2451660","S00018558":"1853653","S00018559":"1762628","S00018561":"1328198","S00018562":"1410628","S00018563":"1968483","S00018564":"2950620","S00018565":"2312384","S00018566":"2529406","S00018567":"2073014","S00018568":"1903316","S00018569":"1964460","S00018570":"1905758","S00018571":"1932477","S00018572":"1659131","S00018573":"1418319","S00018574":"1324374","S00018575":"1071229","S00018576":"2462474","S00018577":"1905564","S00018578":"1624625","S00018579":"2125835","S00018580":"2056859","S00018581":"1134621"},{"Metabolite":"O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"1106","S00018549":"","S00018550":"1610","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"1049","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"1275","S00018580":"","S00018581":""},{"Metabolite":"OCTANOYLCARNITINE (*) (CAS# 38263-56-8); (M+H)+","S00018536":"7723","S00018537":"19551","S00018538":"6853","S00018539":"9440","S00018540":"18182","S00018541":"13505","S00018542":"12649","S00018543":"5964","S00018544":"6140","S00018545":"6016","S00018546":"10991","S00018547":"5844","S00018548":"6710","S00018549":"4891","S00018550":"","S00018552":"5294","S00018553":"4052","S00018554":"3658","S00018555":"4994","S00018556":"4129","S00018558":"7959","S00018559":"7265","S00018561":"12845","S00018562":"17433","S00018563":"10568","S00018564":"2442","S00018565":"13912","S00018566":"5173","S00018567":"3804","S00018568":"11982","S00018569":"5412","S00018570":"4211","S00018571":"4397","S00018572":"15066","S00018573":"6713","S00018574":"5835","S00018575":"4599","S00018576":"3193","S00018577":"1926","S00018578":"1624","S00018579":"4700","S00018580":"2324","S00018581":""},{"Metabolite":"OCTENOYLCARNITINE (*) (CAS# 000-00-0); M+","S00018536":"","S00018537":"","S00018538":"1226","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"1580","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"OLEAMIDE (CAS# 301-02-0); (M+H)+","S00018536":"","S00018537":"1122","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"7168","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"2822","S00018549":"1091","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"17324","S00018562":"","S00018563":"","S00018564":"","S00018565":"1195","S00018566":"","S00018567":"2379","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"33782","S00018581":""},{"Metabolite":"OLEAMIDE (CAS# 301-02-0); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"120722","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"326488","S00018581":""},{"Metabolite":"OLEIC ACID (CAS# 112-80-1); (M+NA)+","S00018536":"26494","S00018537":"21151","S00018538":"18392","S00018539":"23896","S00018540":"35129","S00018541":"112817","S00018542":"115045","S00018543":"30685","S00018544":"13376","S00018545":"21274","S00018546":"24054","S00018547":"30843","S00018548":"32579","S00018549":"31921","S00018550":"32668","S00018552":"21149","S00018553":"32656","S00018554":"32566","S00018555":"23101","S00018556":"23775","S00018558":"31709","S00018559":"99004","S00018561":"38462","S00018562":"40700","S00018563":"80068","S00018564":"34265","S00018565":"15076","S00018566":"35688","S00018567":"36815","S00018568":"34215","S00018569":"45423","S00018570":"39873","S00018571":"36344","S00018572":"38490","S00018573":"23647","S00018574":"47394","S00018575":"33086","S00018576":"15040","S00018577":"33813","S00018578":"33858","S00018579":"34007","S00018580":"9870","S00018581":"36517"},{"Metabolite":"OLEOYLCARNITINE (*) (CAS# 13962-05-5); (M+H)+","S00018536":"53191","S00018537":"61011","S00018538":"47394","S00018539":"69616","S00018540":"56631","S00018541":"62938","S00018542":"44687","S00018543":"41486","S00018544":"40292","S00018545":"28596","S00018546":"42485","S00018547":"29003","S00018548":"37407","S00018549":"31031","S00018550":"32178","S00018552":"48861","S00018553":"30827","S00018554":"25108","S00018555":"45738","S00018556":"22869","S00018558":"77615","S00018559":"79301","S00018561":"78101","S00018562":"82293","S00018563":"72196","S00018564":"25923","S00018565":"40944","S00018566":"42080","S00018567":"32264","S00018568":"30316","S00018569":"38025","S00018570":"30964","S00018571":"49198","S00018572":"70833","S00018573":"50786","S00018574":"55439","S00018575":"38433","S00018576":"25279","S00018577":"18919","S00018578":"20852","S00018579":"27798","S00018580":"11901","S00018581":"11721"},{"Metabolite":"OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M+H)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"1265","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+","S00018536":"","S00018537":"","S00018538":"7851","S00018539":"3219","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"2902","S00018569":"","S00018570":"1300","S00018571":"","S00018572":"11407","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"2628","S00018562":"2343","S00018563":"1124","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-80-4); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"1999","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"PALATINOSE (CAS# 343336-76-5); (M+NA)+","S00018536":"63784","S00018537":"29287","S00018538":"19931","S00018539":"33129","S00018540":"25233","S00018541":"37427","S00018542":"39437","S00018543":"30867","S00018544":"38334","S00018545":"32241","S00018546":"42080","S00018547":"38858","S00018548":"27870","S00018549":"22333","S00018550":"23922","S00018552":"14456","S00018553":"30347","S00018554":"30529","S00018555":"31600","S00018556":"26390","S00018558":"18795","S00018559":"15021","S00018561":"15967","S00018562":"23477","S00018563":"17630","S00018564":"24044","S00018565":"32464","S00018566":"19201","S00018567":"31439","S00018568":"26417","S00018569":"25275","S00018570":"27147","S00018571":"24559","S00018572":"35329","S00018573":"65496","S00018574":"20085","S00018575":"17069","S00018576":"25247","S00018577":"26374","S00018578":"22156","S00018579":"26551","S00018580":"78188","S00018581":"19518"},{"Metabolite":"PALMITOLEYLCARNITINE (*) (CAS# 000-00-0); M+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"11343","S00018542":"","S00018543":"","S00018544":"3747","S00018545":"","S00018546":"10194","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+","S00018536":"50482","S00018537":"60748","S00018538":"46257","S00018539":"51022","S00018540":"56801","S00018541":"57424","S00018542":"40967","S00018543":"40794","S00018544":"39843","S00018545":"","S00018546":"36545","S00018547":"34954","S00018548":"38536","S00018549":"35433","S00018550":"36683","S00018552":"50868","S00018553":"34457","S00018554":"26127","S00018555":"47636","S00018556":"26499","S00018558":"76146","S00018559":"80112","S00018561":"72341","S00018562":"99253","S00018563":"78856","S00018564":"27425","S00018565":"37902","S00018566":"39455","S00018567":"29225","S00018568":"31018","S00018569":"38413","S00018570":"36959","S00018571":"46365","S00018572":"60214","S00018573":"44772","S00018574":"58167","S00018575":"46261","S00018576":"25940","S00018577":"24418","S00018578":"19526","S00018579":"30869","S00018580":"","S00018581":"15614"},{"Metabolite":"PANTOTHENATE (CAS# 79-83-4); (M+H)+","S00018536":"156928","S00018537":"212461","S00018538":"272740","S00018539":"168709","S00018540":"167163","S00018541":"137006","S00018542":"171943","S00018543":"232005","S00018544":"191351","S00018545":"208353","S00018546":"122274","S00018547":"133762","S00018548":"149122","S00018549":"259752","S00018550":"172229","S00018552":"273074","S00018553":"254691","S00018554":"160383","S00018555":"150794","S00018556":"155314","S00018558":"119059","S00018559":"102183","S00018561":"129295","S00018562":"133925","S00018563":"132096","S00018564":"116975","S00018565":"179940","S00018566":"190016","S00018567":"112721","S00018568":"122923","S00018569":"116175","S00018570":"267229","S00018571":"174272","S00018572":"161518","S00018573":"181110","S00018574":"138071","S00018575":"119388","S00018576":"212779","S00018577":"132199","S00018578":"141373","S00018579":"341336","S00018580":"156675","S00018581":"144169"},{"Metabolite":"PANTOTHENATE (CAS# 79-83-4); (M+NA)+","S00018536":"160279","S00018537":"217744","S00018538":"","S00018539":"","S00018540":"167767","S00018541":"148044","S00018542":"185660","S00018543":"243334","S00018544":"202687","S00018545":"231565","S00018546":"129363","S00018547":"140599","S00018548":"150477","S00018549":"269239","S00018550":"170111","S00018552":"283870","S00018553":"262845","S00018554":"172736","S00018555":"159857","S00018556":"152380","S00018558":"125566","S00018559":"104656","S00018561":"139318","S00018562":"144112","S00018563":"146904","S00018564":"","S00018565":"188245","S00018566":"292213","S00018567":"122934","S00018568":"133830","S00018569":"125619","S00018570":"275543","S00018571":"183466","S00018572":"168516","S00018573":"189646","S00018574":"141048","S00018575":"124772","S00018576":"231565","S00018577":"142507","S00018578":"152691","S00018579":"361260","S00018580":"177961","S00018581":"158667"},{"Metabolite":"PARAXANTHINE (CAS# 611-59-6); (M+NA)+","S00018536":"","S00018537":"22408","S00018538":"15019","S00018539":"","S00018540":"","S00018541":"38792","S00018542":"","S00018543":"22262","S00018544":"16784","S00018545":"","S00018546":"33185","S00018547":"36996","S00018548":"","S00018549":"29839","S00018550":"27343","S00018552":"34501","S00018553":"44338","S00018554":"","S00018555":"","S00018556":"","S00018558":"22998","S00018559":"","S00018561":"18634","S00018562":"","S00018563":"","S00018564":"63989","S00018565":"26387","S00018566":"","S00018567":"","S00018568":"","S00018569":"27097","S00018570":"","S00018571":"25927","S00018572":"21817","S00018573":"","S00018574":"","S00018575":"","S00018576":"32248","S00018577":"41696","S00018578":"","S00018579":"42041","S00018580":"47307","S00018581":""},{"Metabolite":"PENICILLAMINE (CAS# 52-67-5); (2M+H)+[-H2]","S00018536":"","S00018537":"","S00018538":"11300","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"14535","S00018565":"","S00018566":"30998","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"2126","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"PHENYL ACETATE (CAS# 122-79-2); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"1075","S00018580":"","S00018581":""},{"Metabolite":"PHENYLALANINE (CAS# 63-91-2); (M+H)+","S00018536":"74770","S00018537":"161223","S00018538":"76869","S00018539":"63869","S00018540":"131262","S00018541":"57475","S00018542":"49628","S00018543":"855019","S00018544":"89332","S00018545":"65063","S00018546":"83514","S00018547":"93366","S00018548":"91285","S00018549":"106642","S00018550":"101196","S00018552":"61835","S00018553":"97401","S00018554":"900063","S00018555":"134052","S00018556":"997092","S00018558":"80625","S00018559":"115991","S00018561":"87348","S00018562":"869813","S00018563":"66203","S00018564":"50217","S00018565":"","S00018566":"104189","S00018567":"134669","S00018568":"162143","S00018569":"146677","S00018570":"149653","S00018571":"65160","S00018572":"53064","S00018573":"898895","S00018574":"55494","S00018575":"120656","S00018576":"50788","S00018577":"846354","S00018578":"50382","S00018579":"69770","S00018580":"134969","S00018581":"744100"},{"Metabolite":"PHENYLALANINE (CAS# 63-91-2); (M+NA)+","S00018536":"","S00018537":"4015","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"2641","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"4158","S00018555":"3978","S00018556":"6433","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"3401","S00018564":"59640","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"4009","S00018574":"","S00018575":"2512","S00018576":"4294","S00018577":"","S00018578":"","S00018579":"","S00018580":"2417","S00018581":""},{"Metabolite":"PHENYLEPHRINE (CAS# 59-42-7); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"1275","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"PHENYLHYDRAZINE (CAS# 100-63-0); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"3411","S00018547":"","S00018548":"","S00018549":"1201","S00018550":"","S00018552":"1046","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"1029","S00018571":"12173","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"6936","S00018579":"","S00018580":"","S00018581":"1323"},{"Metabolite":"PHTHALATE (CAS# 88-99-3); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"1629","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"PICOLINIC ACID (CAS# 98-98-6); (M+H)+","S00018536":"","S00018537":"","S00018538":"10864","S00018539":"","S00018540":"","S00018541":"","S00018542":"26807","S00018543":"","S00018544":"21569","S00018545":"28835","S00018546":"","S00018547":"13715","S00018548":"15831","S00018549":"1841","S00018550":"29266","S00018552":"14309","S00018553":"22599","S00018554":"78562","S00018555":"21054","S00018556":"32452","S00018558":"280299","S00018559":"96412","S00018561":"29650","S00018562":"24563","S00018563":"80624","S00018564":"150704","S00018565":"194455","S00018566":"90895","S00018567":"182471","S00018568":"129116","S00018569":"52077","S00018570":"101603","S00018571":"","S00018572":"62611","S00018573":"63628","S00018574":"39776","S00018575":"","S00018576":"168546","S00018577":"77087","S00018578":"67644","S00018579":"82649","S00018580":"161547","S00018581":"92858"},{"Metabolite":"PINITOL (CAS# 10284-63-6); (M+NA)+","S00018536":"4510","S00018537":"7814","S00018538":"","S00018539":"4771","S00018540":"","S00018541":"6385","S00018542":"11311","S00018543":"18381","S00018544":"","S00018545":"17489","S00018546":"13015","S00018547":"14147","S00018548":"7228","S00018549":"12743","S00018550":"9334","S00018552":"","S00018553":"10085","S00018554":"13360","S00018555":"8452","S00018556":"12088","S00018558":"9565","S00018559":"","S00018561":"9541","S00018562":"6363","S00018563":"6249","S00018564":"12112","S00018565":"11371","S00018566":"","S00018567":"","S00018568":"19939","S00018569":"15659","S00018570":"12286","S00018571":"","S00018572":"14460","S00018573":"","S00018574":"7752","S00018575":"1881","S00018576":"30321","S00018577":"12065","S00018578":"12408","S00018579":"16815","S00018580":"10041","S00018581":"16040"},{"Metabolite":"PIPECOLATE (CAS# 535-75-1); (M+H)+","S00018536":"421337","S00018537":"462578","S00018538":"476211","S00018539":"327473","S00018540":"31846","S00018541":"407466","S00018542":"591978","S00018543":"247656","S00018544":"31174","S00018545":"26268","S00018546":"456723","S00018547":"31771","S00018548":"35128","S00018549":"309894","S00018550":"28453","S00018552":"52434","S00018553":"35868","S00018554":"28978","S00018555":"28177","S00018556":"27948","S00018558":"508959","S00018559":"31664","S00018561":"27394","S00018562":"27156","S00018563":"26476","S00018564":"103516","S00018565":"25152","S00018566":"49108","S00018567":"20977","S00018568":"17778","S00018569":"19234","S00018570":"702681","S00018571":"33244","S00018572":"370959","S00018573":"127955","S00018574":"29518","S00018575":"331894","S00018576":"495640","S00018577":"20699","S00018578":"26773","S00018579":"24733","S00018580":"20294","S00018581":"21520"},{"Metabolite":"PIPECOLATE (CAS# 535-75-1); (M+NA)+","S00018536":"5650","S00018537":"9076","S00018538":"5243","S00018539":"4745","S00018540":"5650","S00018541":"7948","S00018542":"8517","S00018543":"13856","S00018544":"9893","S00018545":"11044","S00018546":"9680","S00018547":"9566","S00018548":"7134","S00018549":"7479","S00018550":"5693","S00018552":"10018","S00018553":"10632","S00018554":"6571","S00018555":"7257","S00018556":"8800","S00018558":"7471","S00018559":"7217","S00018561":"8947","S00018562":"8323","S00018563":"7894","S00018564":"5148","S00018565":"10094","S00018566":"5964","S00018567":"11028","S00018568":"9986","S00018569":"6627","S00018570":"8343","S00018571":"5332","S00018572":"6838","S00018573":"8864","S00018574":"16793","S00018575":"7219","S00018576":"8629","S00018577":"8083","S00018578":"8042","S00018579":"8832","S00018580":"7104","S00018581":""},{"Metabolite":"PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"1412","S00018544":"","S00018545":"43095","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"1045","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"1245","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"PROGESTERONE (CAS# 57-83-0); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"2136","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"2349","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"2333","S00018559":"2883","S00018561":"1517","S00018562":"","S00018563":"3860","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"1156","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"3389","S00018576":"3007","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":"1545"},{"Metabolite":"PROLINE (CAS# 147-85-3); (M+H)+","S00018536":"1229722","S00018537":"1010371","S00018538":"2221553","S00018539":"1031595","S00018540":"1073993","S00018541":"955825","S00018542":"1279084","S00018543":"1021541","S00018544":"1218345","S00018545":"1040143","S00018546":"1377323","S00018547":"1432952","S00018548":"973111","S00018549":"1062995","S00018550":"941453","S00018552":"1083127","S00018553":"1228454","S00018554":"892857","S00018555":"984979","S00018556":"966503","S00018558":"955699","S00018559":"995170","S00018561":"762326","S00018562":"799942","S00018563":"810590","S00018564":"1789212","S00018565":"1114325","S00018566":"1414469","S00018567":"813019","S00018568":"1170181","S00018569":"1139567","S00018570":"840076","S00018571":"781039","S00018572":"671403","S00018573":"767947","S00018574":"765271","S00018575":"671050","S00018576":"1285892","S00018577":"981618","S00018578":"965183","S00018579":"1011674","S00018580":"884964","S00018581":"954544"},{"Metabolite":"PROLINE (CAS# 147-85-3); (M+NA)+","S00018536":"","S00018537":"","S00018538":"10267","S00018539":"3720","S00018540":"4342","S00018541":"","S00018542":"","S00018543":"","S00018544":"4053","S00018545":"3178","S00018546":"4648","S00018547":"4353","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"4061","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"110974","S00018564":"231175","S00018565":"203689","S00018566":"233542","S00018567":"234391","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"176736","S00018578":"","S00018579":"","S00018580":"2158","S00018581":"231034"},{"Metabolite":"PROPIONYLCARNITINE (*) (CAS# 17298-37-2); (M+H)+","S00018536":"295472","S00018537":"331107","S00018538":"421026","S00018539":"233229","S00018540":"178037","S00018541":"272048","S00018542":"374870","S00018543":"315453","S00018544":"302434","S00018545":"911250","S00018546":"357947","S00018547":"438022","S00018548":"229353","S00018549":"210733","S00018550":"516156","S00018552":"159944","S00018553":"278846","S00018554":"233261","S00018555":"484342","S00018556":"288911","S00018558":"215204","S00018559":"254108","S00018561":"137559","S00018562":"166984","S00018563":"193964","S00018564":"","S00018565":"495057","S00018566":"533991","S00018567":"499809","S00018568":"212983","S00018569":"165598","S00018570":"192570","S00018571":"150188","S00018572":"133308","S00018573":"93696","S00018574":"46869","S00018575":"38064","S00018576":"315811","S00018577":"81926","S00018578":"","S00018579":"197945","S00018580":"39635","S00018581":"146090"},{"Metabolite":"PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+","S00018536":"105285","S00018537":"","S00018538":"","S00018539":"","S00018540":"140757","S00018541":"","S00018542":"112515","S00018543":"","S00018544":"","S00018545":"120223","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"145828","S00018554":"234646","S00018555":"","S00018556":"14139","S00018558":"88197","S00018559":"135587","S00018561":"212052","S00018562":"185037","S00018563":"290238","S00018564":"","S00018565":"159829","S00018566":"73972","S00018567":"194462","S00018568":"124176","S00018569":"","S00018570":"","S00018571":"146426","S00018572":"247211","S00018573":"209275","S00018574":"","S00018575":"","S00018576":"","S00018577":"101662","S00018578":"258238","S00018579":"","S00018580":"202391","S00018581":"204671"},{"Metabolite":"PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+[-H2O]","S00018536":"2879","S00018537":"60639","S00018538":"1010","S00018539":"4633","S00018540":"","S00018541":"","S00018542":"","S00018543":"1883","S00018544":"35653","S00018545":"14694","S00018546":"12285","S00018547":"39118","S00018548":"7279","S00018549":"","S00018550":"","S00018552":"1419","S00018553":"45903","S00018554":"3502","S00018555":"","S00018556":"64279","S00018558":"16824","S00018559":"68549","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"18695","S00018570":"","S00018571":"","S00018572":"","S00018573":"4526","S00018574":"","S00018575":"","S00018576":"1995","S00018577":"","S00018578":"26714","S00018579":"8911","S00018580":"7982","S00018581":"6279"},{"Metabolite":"PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+","S00018536":"15327","S00018537":"19779","S00018538":"","S00018539":"15716","S00018540":"24152","S00018541":"3976","S00018542":"19361","S00018543":"15565","S00018544":"13080","S00018545":"24089","S00018546":"21078","S00018547":"11272","S00018548":"4599","S00018549":"16522","S00018550":"7887","S00018552":"1014","S00018553":"36259","S00018554":"23827","S00018555":"14824","S00018556":"6822","S00018558":"7496","S00018559":"13732","S00018561":"11876","S00018562":"8010","S00018563":"14939","S00018564":"","S00018565":"15109","S00018566":"2249","S00018567":"10167","S00018568":"6567","S00018569":"13533","S00018570":"13793","S00018571":"2246","S00018572":"13129","S00018573":"5230","S00018574":"6577","S00018575":"13737","S00018576":"","S00018577":"9159","S00018578":"11934","S00018579":"9106","S00018580":"8055","S00018581":"9844"},{"Metabolite":"PROTOPORPHYRIN (CAS# 553-12-8); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"1010","S00018580":"1337","S00018581":""},{"Metabolite":"PTERIN (CAS# 2236-60-4); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"9298","S00018544":"","S00018545":"18447","S00018546":"","S00018547":"2673","S00018548":"","S00018549":"","S00018550":"15584","S00018552":"","S00018553":"","S00018554":"33047","S00018555":"","S00018556":"","S00018558":"","S00018559":"18885","S00018561":"41548","S00018562":"22273","S00018563":"15078","S00018564":"","S00018565":"21692","S00018566":"","S00018567":"30255","S00018568":"","S00018569":"","S00018570":"55509","S00018571":"","S00018572":"20983","S00018573":"","S00018574":"","S00018575":"","S00018576":"18469","S00018577":"43850","S00018578":"","S00018579":"","S00018580":"21228","S00018581":"8889"},{"Metabolite":"PURINE (CAS# 120-73-0); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"46557","S00018553":"","S00018554":"","S00018555":"386873","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"338669","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"PURINE (CAS# 120-73-0); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"9386","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"4493","S00018565":"7942","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"8578","S00018575":"","S00018576":"3475","S00018577":"11506","S00018578":"","S00018579":"","S00018580":"22780","S00018581":""},{"Metabolite":"PYRIDOXAL (CAS# 66-72-8); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"5008","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"21321","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"PYRIDOXINE (CAS# 65-23-6); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"2545","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"1798","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"QUINOLIN-2-OL (CAS# 59-31-4); (M+H)+","S00018536":"52061","S00018537":"56917","S00018538":"59021","S00018539":"58978","S00018540":"56510","S00018541":"28384","S00018542":"47306","S00018543":"45353","S00018544":"55099","S00018545":"47426","S00018546":"39479","S00018547":"43452","S00018548":"49637","S00018549":"60706","S00018550":"33997","S00018552":"71890","S00018553":"44366","S00018554":"53450","S00018555":"54399","S00018556":"40328","S00018558":"63303","S00018559":"57582","S00018561":"58949","S00018562":"49015","S00018563":"61280","S00018564":"23669","S00018565":"71102","S00018566":"41882","S00018567":"51904","S00018568":"56534","S00018569":"64305","S00018570":"68770","S00018571":"43679","S00018572":"86431","S00018573":"58050","S00018574":"48034","S00018575":"80230","S00018576":"42076","S00018577":"59620","S00018578":"64126","S00018579":"64792","S00018580":"90236","S00018581":"66690"},{"Metabolite":"QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+","S00018536":"45206","S00018537":"49297","S00018538":"45752","S00018539":"57751","S00018540":"46646","S00018541":"24381","S00018542":"37032","S00018543":"38932","S00018544":"49312","S00018545":"42137","S00018546":"30261","S00018547":"39543","S00018548":"45827","S00018549":"59337","S00018550":"29829","S00018552":"68346","S00018553":"34419","S00018554":"53146","S00018555":"46601","S00018556":"33722","S00018558":"60909","S00018559":"51928","S00018561":"49765","S00018562":"34073","S00018563":"40210","S00018564":"15004","S00018565":"37912","S00018566":"27633","S00018567":"42367","S00018568":"42568","S00018569":"58157","S00018570":"59216","S00018571":"36556","S00018572":"68325","S00018573":"58784","S00018574":"41261","S00018575":"78845","S00018576":"41469","S00018577":"51054","S00018578":"62111","S00018579":"57250","S00018580":"91950","S00018581":"66049"},{"Metabolite":"QUINOLINE (CAS# 91-22-5); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"107530","S00018565":"","S00018566":"51854","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"1329","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"4124","S00018570":"","S00018571":"","S00018572":"","S00018573":"6474","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"RAFFINOSE (CAS# 512-69-6); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"2660","S00018544":"1293","S00018545":"1763","S00018546":"1545","S00018547":"1228","S00018548":"","S00018549":"1037","S00018550":"","S00018552":"","S00018553":"2987","S00018554":"1421","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"1565","S00018565":"1014","S00018566":"","S00018567":"1442","S00018568":"2169","S00018569":"","S00018570":"","S00018571":"","S00018572":"1008","S00018573":"4596","S00018574":"","S00018575":"","S00018576":"","S00018577":"1092","S00018578":"","S00018579":"1513","S00018580":"5105","S00018581":"1229"},{"Metabolite":"RIBOFLAVIN (CAS# 83-88-5); (M+H)+","S00018536":"3526","S00018537":"3786","S00018538":"","S00018539":"","S00018540":"","S00018541":"1517","S00018542":"","S00018543":"2841","S00018544":"2822","S00018545":"2432","S00018546":"2558","S00018547":"2383","S00018548":"1977","S00018549":"1160","S00018550":"3347","S00018552":"","S00018553":"","S00018554":"1413","S00018555":"1398","S00018556":"1676","S00018558":"3035","S00018559":"","S00018561":"","S00018562":"3315","S00018563":"2110","S00018564":"2721","S00018565":"","S00018566":"","S00018567":"","S00018568":"2822","S00018569":"1973","S00018570":"","S00018571":"","S00018572":"1685","S00018573":"","S00018574":"","S00018575":"","S00018576":"2488","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"RIBOFLAVIN (CAS# 83-88-5); (M+NA)+","S00018536":"3201","S00018537":"2843","S00018538":"","S00018539":"","S00018540":"","S00018541":"1647","S00018542":"","S00018543":"","S00018544":"2282","S00018545":"","S00018546":"","S00018547":"2543","S00018548":"","S00018549":"1647","S00018550":"2755","S00018552":"2447","S00018553":"2530","S00018554":"1493","S00018555":"1303","S00018556":"","S00018558":"1714","S00018559":"","S00018561":"","S00018562":"2154","S00018563":"2352","S00018564":"","S00018565":"","S00018566":"","S00018567":"2349","S00018568":"2584","S00018569":"1723","S00018570":"1125","S00018571":"1245","S00018572":"","S00018573":"1709","S00018574":"","S00018575":"","S00018576":"2733","S00018577":"1068","S00018578":"1964","S00018579":"1808","S00018580":"","S00018581":"1907"},{"Metabolite":"RIBOSE (CAS# 50-69-1); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"4846","S00018544":"","S00018545":"","S00018546":"","S00018547":"4901","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"3471","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"3591","S00018566":"","S00018567":"","S00018568":"4134","S00018569":"4277","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"5400","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+","S00018536":"4919","S00018537":"10254","S00018538":"18299","S00018539":"9112","S00018540":"6851","S00018541":"6968","S00018542":"7489","S00018543":"8370","S00018544":"13523","S00018545":"7132","S00018546":"11771","S00018547":"11593","S00018548":"6851","S00018549":"5675","S00018550":"5143","S00018552":"10014","S00018553":"6772","S00018554":"6692","S00018555":"7662","S00018556":"14827","S00018558":"5908","S00018559":"","S00018561":"8670","S00018562":"8162","S00018563":"9290","S00018564":"12745","S00018565":"10588","S00018566":"15798","S00018567":"6925","S00018568":"7783","S00018569":"10221","S00018570":"5807","S00018571":"","S00018572":"","S00018573":"5675","S00018574":"","S00018575":"","S00018576":"11098","S00018577":"6440","S00018578":"8702","S00018579":"16890","S00018580":"6418","S00018581":"9861"},{"Metabolite":"SARCOSINE (CAS# 107-97-1); (M+H)+","S00018536":"53232","S00018537":"60682","S00018538":"46363","S00018539":"56562","S00018540":"45245","S00018541":"44838","S00018542":"51678","S00018543":"39267","S00018544":"38241","S00018545":"37587","S00018546":"37375","S00018547":"56359","S00018548":"24235","S00018549":"32960","S00018550":"38641","S00018552":"36402","S00018553":"33720","S00018554":"46225","S00018555":"42071","S00018556":"44580","S00018558":"47862","S00018559":"33424","S00018561":"39302","S00018562":"38169","S00018563":"43274","S00018564":"38943","S00018565":"46810","S00018566":"46852","S00018567":"42021","S00018568":"50586","S00018569":"25906","S00018570":"69623","S00018571":"55162","S00018572":"26577","S00018573":"38283","S00018574":"38566","S00018575":"28740","S00018576":"51261","S00018577":"36953","S00018578":"27704","S00018579":"38348","S00018580":"22036","S00018581":"35772"},{"Metabolite":"SEBACIC ACID (CAS# 111-20-6); (M+NA)+","S00018536":"","S00018537":"3076","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"2880","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"3740","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"1099","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"1016","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"3212","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"SELENOMETHIONINE (CAS# 1464-42-2); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"7409","S00018544":"3527","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"8846","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"8338","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"6155","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"5547","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"SELENOMETHIONINE (CAS# 1464-42-2); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"1399","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"SERINE (CAS# 56-45-1); (M+H)+","S00018536":"","S00018537":"","S00018538":"48988","S00018539":"","S00018540":"12426","S00018541":"","S00018542":"8318","S00018543":"6037","S00018544":"18697","S00018545":"6829","S00018546":"1445","S00018547":"4817","S00018548":"","S00018549":"15000","S00018550":"3985","S00018552":"18464","S00018553":"14105","S00018554":"","S00018555":"12139","S00018556":"18214","S00018558":"6230","S00018559":"","S00018561":"","S00018562":"","S00018563":"16420","S00018564":"51205","S00018565":"","S00018566":"29511","S00018567":"15506","S00018568":"20881","S00018569":"21729","S00018570":"10707","S00018571":"9288","S00018572":"","S00018573":"7078","S00018574":"22798","S00018575":"11092","S00018576":"37237","S00018577":"","S00018578":"4626","S00018579":"25654","S00018580":"","S00018581":"11552"},{"Metabolite":"SEROTONIN (CAS# 50-67-9); (M+H)+","S00018536":"","S00018537":"179456","S00018538":"251847","S00018539":"","S00018540":"37117","S00018541":"196974","S00018542":"176606","S00018543":"402247","S00018544":"","S00018545":"244204","S00018546":"235120","S00018547":"222021","S00018548":"86918","S00018549":"203102","S00018550":"115535","S00018552":"286861","S00018553":"","S00018554":"183094","S00018555":"","S00018556":"214572","S00018558":"313840","S00018559":"425031","S00018561":"109556","S00018562":"14000","S00018563":"27534","S00018564":"236893","S00018565":"","S00018566":"261301","S00018567":"63116","S00018568":"80907","S00018569":"162985","S00018570":"96949","S00018571":"83103","S00018572":"","S00018573":"198743","S00018574":"235665","S00018575":"46674","S00018576":"231365","S00018577":"194379","S00018578":"235700","S00018579":"338175","S00018580":"132225","S00018581":"117656"},{"Metabolite":"SHIKIMATE (CAS# 138-59-0); (M+H)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"1127","S00018541":"","S00018542":"","S00018543":"2673","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":"3800"},{"Metabolite":"SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+H)+","S00018536":"693801","S00018537":"445866","S00018538":"123166","S00018539":"634458","S00018540":"601758","S00018541":"488004","S00018542":"594924","S00018543":"503398","S00018544":"530381","S00018545":"398620","S00018546":"279145","S00018547":"491710","S00018548":"635019","S00018549":"377359","S00018550":"99095","S00018552":"531287","S00018553":"301935","S00018554":"625105","S00018555":"381057","S00018556":"258628","S00018558":"673334","S00018559":"776267","S00018561":"763708","S00018562":"513038","S00018563":"443827","S00018564":"88918","S00018565":"139901","S00018566":"505005","S00018567":"489600","S00018568":"547818","S00018569":"732059","S00018570":"771757","S00018571":"920678","S00018572":"937899","S00018573":"893430","S00018574":"791885","S00018575":"1005196","S00018576":"220452","S00018577":"694195","S00018578":"856321","S00018579":"623621","S00018580":"922927","S00018581":"727995"},{"Metabolite":"SPERMIDINE (CAS# 124-20-9); (M+H)+","S00018536":"56123","S00018537":"118107","S00018538":"75684","S00018539":"139828","S00018540":"42063","S00018541":"83889","S00018542":"113514","S00018543":"91919","S00018544":"89139","S00018545":"80390","S00018546":"100922","S00018547":"64762","S00018548":"136041","S00018549":"113113","S00018550":"66029","S00018552":"179279","S00018553":"186897","S00018554":"103116","S00018555":"149486","S00018556":"106755","S00018558":"42429","S00018559":"58630","S00018561":"53198","S00018562":"62568","S00018563":"143051","S00018564":"86454","S00018565":"47534","S00018566":"68379","S00018567":"68492","S00018568":"46468","S00018569":"35421","S00018570":"35616","S00018571":"60254","S00018572":"70839","S00018573":"151509","S00018574":"118015","S00018575":"34908","S00018576":"129891","S00018577":"93026","S00018578":"56422","S00018579":"89216","S00018580":"51223","S00018581":"65004"},{"Metabolite":"SPHINGANINE (CAS# 764-22-7); (M+H)+","S00018536":"16446","S00018537":"17327","S00018538":"23511","S00018539":"14902","S00018540":"7665","S00018541":"7578","S00018542":"6938","S00018543":"","S00018544":"13157","S00018545":"","S00018546":"","S00018547":"","S00018548":"8284","S00018549":"10231","S00018550":"","S00018552":"10576","S00018553":"","S00018554":"8086","S00018555":"","S00018556":"6107","S00018558":"18246","S00018559":"19031","S00018561":"13788","S00018562":"","S00018563":"7584","S00018564":"12755","S00018565":"8671","S00018566":"9161","S00018567":"12449","S00018568":"13607","S00018569":"21453","S00018570":"","S00018571":"2018","S00018572":"10931","S00018573":"15956","S00018574":"10857","S00018575":"9009","S00018576":"15930","S00018577":"7663","S00018578":"2906","S00018579":"11982","S00018580":"5130","S00018581":"5933"},{"Metabolite":"SPHINGANINE (CAS# 764-22-7); (M+NA)+","S00018536":"21427","S00018537":"25382","S00018538":"33503","S00018539":"20791","S00018540":"","S00018541":"8892","S00018542":"","S00018543":"","S00018544":"17210","S00018545":"5007","S00018546":"8622","S00018547":"","S00018548":"","S00018549":"14167","S00018550":"","S00018552":"14274","S00018553":"","S00018554":"12285","S00018555":"","S00018556":"","S00018558":"28530","S00018559":"26662","S00018561":"20973","S00018562":"","S00018563":"9892","S00018564":"18094","S00018565":"12374","S00018566":"13575","S00018567":"17994","S00018568":"21674","S00018569":"31279","S00018570":"19829","S00018571":"15023","S00018572":"13007","S00018573":"23561","S00018574":"15847","S00018575":"12517","S00018576":"26215","S00018577":"11510","S00018578":"","S00018579":"16002","S00018580":"","S00018581":"7442"},{"Metabolite":"STACHYOSE (CAS# 54261-98-2); (M+NA)+","S00018536":"2885","S00018537":"5021","S00018538":"2221","S00018539":"2415","S00018540":"2340","S00018541":"2032","S00018542":"2246","S00018543":"4403","S00018544":"3403","S00018545":"2591","S00018546":"3183","S00018547":"4679","S00018548":"3726","S00018549":"2152","S00018550":"2505","S00018552":"","S00018553":"4069","S00018554":"4476","S00018555":"1594","S00018556":"2540","S00018558":"2011","S00018559":"2372","S00018561":"2641","S00018562":"2922","S00018563":"3159","S00018564":"3226","S00018565":"4038","S00018566":"2790","S00018567":"4638","S00018568":"5499","S00018569":"3929","S00018570":"2314","S00018571":"2552","S00018572":"2732","S00018573":"9971","S00018574":"1703","S00018575":"2039","S00018576":"2584","S00018577":"2974","S00018578":"3803","S00018579":"3395","S00018580":"5194","S00018581":"3374"},{"Metabolite":"STEAROYLCARNITINE (*) (CAS# 1976-27-8); (M+H)+","S00018536":"27403","S00018537":"23725","S00018538":"17990","S00018539":"25434","S00018540":"23182","S00018541":"25057","S00018542":"23226","S00018543":"17934","S00018544":"20254","S00018545":"15514","S00018546":"21542","S00018547":"19503","S00018548":"21494","S00018549":"19160","S00018550":"18642","S00018552":"20187","S00018553":"22952","S00018554":"15321","S00018555":"25724","S00018556":"13125","S00018558":"27205","S00018559":"27668","S00018561":"32148","S00018562":"32277","S00018563":"28205","S00018564":"14672","S00018565":"18689","S00018566":"19255","S00018567":"13701","S00018568":"20001","S00018569":"29378","S00018570":"16078","S00018571":"22743","S00018572":"29098","S00018573":"20870","S00018574":"21689","S00018575":"17689","S00018576":"12997","S00018577":"15112","S00018578":"13759","S00018579":"18452","S00018580":"10627","S00018581":"10683"},{"Metabolite":"SUBERIC ACID (CAS# 505-48-6); (M+H)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"3910","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"6845","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"SUBERIC ACID (CAS# 505-48-6); (M+NA)+","S00018536":"20578","S00018537":"17745","S00018538":"28919","S00018539":"12569","S00018540":"16813","S00018541":"47937","S00018542":"12844","S00018543":"16836","S00018544":"8783","S00018545":"","S00018546":"16910","S00018547":"27952","S00018548":"","S00018549":"","S00018550":"9370","S00018552":"10932","S00018553":"","S00018554":"","S00018555":"26102","S00018556":"20079","S00018558":"","S00018559":"","S00018561":"17763","S00018562":"24992","S00018563":"21125","S00018564":"26942","S00018565":"","S00018566":"5739","S00018567":"34077","S00018568":"","S00018569":"31748","S00018570":"24685","S00018571":"","S00018572":"31347","S00018573":"","S00018574":"40704","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"15683","S00018581":"6925"},{"Metabolite":"SUCROSE (CAS# 57-50-1); (M+NA)+","S00018536":"63784","S00018537":"29287","S00018538":"19931","S00018539":"33129","S00018540":"25233","S00018541":"37427","S00018542":"39437","S00018543":"30867","S00018544":"38334","S00018545":"32241","S00018546":"42080","S00018547":"38858","S00018548":"27870","S00018549":"22333","S00018550":"23922","S00018552":"14456","S00018553":"30347","S00018554":"30529","S00018555":"31600","S00018556":"26390","S00018558":"18795","S00018559":"15021","S00018561":"15967","S00018562":"23477","S00018563":"17630","S00018564":"24044","S00018565":"32464","S00018566":"19201","S00018567":"31439","S00018568":"26417","S00018569":"25275","S00018570":"27147","S00018571":"24559","S00018572":"35329","S00018573":"65496","S00018574":"20085","S00018575":"17069","S00018576":"25247","S00018577":"26374","S00018578":"22156","S00018579":"26551","S00018580":"78188","S00018581":"19518"},{"Metabolite":"TAURINE (CAS# 107-35-7); (M+NA)+","S00018536":"","S00018537":"7254","S00018538":"18304","S00018539":"28541","S00018540":"22058","S00018541":"26744","S00018542":"","S00018543":"30778","S00018544":"20198","S00018545":"3292","S00018546":"","S00018547":"","S00018548":"4529","S00018549":"15988","S00018550":"","S00018552":"","S00018553":"3487","S00018554":"3022","S00018555":"15771","S00018556":"2623","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"27608","S00018564":"","S00018565":"","S00018566":"","S00018567":"3081","S00018568":"","S00018569":"2707","S00018570":"","S00018571":"4524","S00018572":"16168","S00018573":"16567","S00018574":"16321","S00018575":"","S00018576":"10398","S00018577":"2102","S00018578":"","S00018579":"2842","S00018580":"","S00018581":""},{"Metabolite":"TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+H)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"1378","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"1245","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"5766","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"1214","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+NA)+","S00018536":"11954","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"8994","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"11341","S00018553":"2596","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"8955","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"TAUROCHOLATE (CAS# 81-24-3); (M+H)+[-H2O]","S00018536":"21992","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"7095","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"8639","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"2047","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"TAUROCHOLATE (CAS# 81-24-3); (M+NA)+","S00018536":"179876","S00018537":"4838","S00018538":"7107","S00018539":"32501","S00018540":"15175","S00018541":"23909","S00018542":"7693","S00018543":"58549","S00018544":"16774","S00018545":"12458","S00018546":"24717","S00018547":"17658","S00018548":"11235","S00018549":"","S00018550":"4436","S00018552":"85870","S00018553":"21376","S00018554":"5262","S00018555":"3104","S00018556":"10079","S00018558":"","S00018559":"13393","S00018561":"","S00018562":"8981","S00018563":"","S00018564":"","S00018565":"3480","S00018566":"3595","S00018567":"4675","S00018568":"9217","S00018569":"6817","S00018570":"15915","S00018571":"","S00018572":"","S00018573":"3399","S00018574":"46771","S00018575":"","S00018576":"15647","S00018577":"2122","S00018578":"2957","S00018579":"5942","S00018580":"8523","S00018581":""},{"Metabolite":"TAUROLITHOCHOLATE (CAS# 516-90-5); (2M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"2074","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"2783","S00018554":"1211","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"4894","S00018581":""},{"Metabolite":"TAUROLITHOCHOLATE (CAS# 516-90-5); (2M+NA)+","S00018536":"2072","S00018537":"1372","S00018538":"","S00018539":"1549","S00018540":"","S00018541":"","S00018542":"","S00018543":"2981","S00018544":"","S00018545":"4557","S00018546":"2422","S00018547":"3102","S00018548":"","S00018549":"3133","S00018550":"","S00018552":"","S00018553":"5118","S00018554":"3485","S00018555":"","S00018556":"","S00018558":"","S00018559":"1650","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"2645","S00018569":"2383","S00018570":"","S00018571":"1829","S00018572":"","S00018573":"4191","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"5696","S00018579":"","S00018580":"9399","S00018581":""},{"Metabolite":"TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"1114","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"1065","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+[-H2O]","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"3570","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"2082","S00018550":"","S00018552":"","S00018553":"1360","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"TETRADECADIENOYLCARNITINE (*) (CAS# 000-00-0); M+","S00018536":"","S00018537":"","S00018538":"3197","S00018539":"4096","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"2626","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"2505","S00018550":"","S00018552":"1902","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"4292","S00018559":"","S00018561":"2911","S00018562":"","S00018563":"","S00018564":"","S00018565":"3446","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"TETRADECENOYLCARNITINE (*) (CAS# 000-00-0); M+","S00018536":"11090","S00018537":"8768","S00018538":"","S00018539":"14007","S00018540":"8264","S00018541":"10562","S00018542":"6447","S00018543":"7703","S00018544":"4532","S00018545":"","S00018546":"6787","S00018547":"","S00018548":"6213","S00018549":"","S00018550":"7061","S00018552":"","S00018553":"","S00018554":"","S00018555":"7547","S00018556":"3443","S00018558":"13840","S00018559":"12457","S00018561":"9451","S00018562":"","S00018563":"8812","S00018564":"","S00018565":"8583","S00018566":"6745","S00018567":"4815","S00018568":"4705","S00018569":"","S00018570":"","S00018571":"","S00018572":"10493","S00018573":"6797","S00018574":"8801","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"3102","S00018580":"","S00018581":""},{"Metabolite":"THEOBROMINE (CAS# 83-67-0); (M+NA)+","S00018536":"","S00018537":"","S00018538":"57793","S00018539":"","S00018540":"","S00018541":"","S00018542":"44988","S00018543":"","S00018544":"","S00018545":"24719","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"23036","S00018553":"43543","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"84711","S00018565":"9236","S00018566":"71297","S00018567":"63544","S00018568":"10515","S00018569":"","S00018570":"","S00018571":"","S00018572":"72028","S00018573":"96658","S00018574":"20032","S00018575":"","S00018576":"113223","S00018577":"","S00018578":"","S00018579":"101397","S00018580":"","S00018581":"39934"},{"Metabolite":"THEOPHYLLINE (CAS# 58-55-9); (M+NA)+","S00018536":"10592","S00018537":"22408","S00018538":"15019","S00018539":"18086","S00018540":"","S00018541":"31095","S00018542":"","S00018543":"22262","S00018544":"16784","S00018545":"24795","S00018546":"31874","S00018547":"37539","S00018548":"","S00018549":"29589","S00018550":"27343","S00018552":"","S00018553":"44338","S00018554":"30120","S00018555":"","S00018556":"","S00018558":"22998","S00018559":"21823","S00018561":"18634","S00018562":"10879","S00018563":"19408","S00018564":"63989","S00018565":"26387","S00018566":"","S00018567":"","S00018568":"","S00018569":"27097","S00018570":"","S00018571":"23108","S00018572":"20766","S00018573":"","S00018574":"2227","S00018575":"","S00018576":"32248","S00018577":"","S00018578":"","S00018579":"42041","S00018580":"47307","S00018581":""},{"Metabolite":"THREONINE (CAS# 72-19-5); (M+H)+[-H2O]","S00018536":"37744","S00018537":"30579","S00018538":"120117","S00018539":"30319","S00018540":"30943","S00018541":"28708","S00018542":"55274","S00018543":"17069","S00018544":"61414","S00018545":"3678","S00018546":"23387","S00018547":"23276","S00018548":"5633","S00018549":"49819","S00018550":"47194","S00018552":"50545","S00018553":"52281","S00018554":"44835","S00018555":"59232","S00018556":"62319","S00018558":"59898","S00018559":"65829","S00018561":"42506","S00018562":"56652","S00018563":"20540","S00018564":"108742","S00018565":"63901","S00018566":"76637","S00018567":"44115","S00018568":"70630","S00018569":"61820","S00018570":"20502","S00018571":"","S00018572":"33358","S00018573":"51371","S00018574":"10339","S00018575":"14889","S00018576":"91188","S00018577":"44779","S00018578":"52005","S00018579":"74863","S00018580":"1640","S00018581":"58250"},{"Metabolite":"THROMBOXANE B2 (CAS# 54397-85-2); (M+H)+[-H2O]","S00018536":"105285","S00018537":"","S00018538":"11540","S00018539":"","S00018540":"140757","S00018541":"","S00018542":"112515","S00018543":"","S00018544":"","S00018545":"120223","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"145828","S00018554":"234646","S00018555":"","S00018556":"14139","S00018558":"88197","S00018559":"135587","S00018561":"212052","S00018562":"185037","S00018563":"290238","S00018564":"","S00018565":"159829","S00018566":"73972","S00018567":"194462","S00018568":"193604","S00018569":"","S00018570":"","S00018571":"146426","S00018572":"247211","S00018573":"209275","S00018574":"","S00018575":"","S00018576":"","S00018577":"101662","S00018578":"258238","S00018579":"","S00018580":"202391","S00018581":"204671"},{"Metabolite":"THROMBOXANE B2 (CAS# 54397-85-2); (M+NA)+","S00018536":"208290","S00018537":"132527","S00018538":"75568","S00018539":"147095","S00018540":"187430","S00018541":"125260","S00018542":"119533","S00018543":"129327","S00018544":"132810","S00018545":"60380","S00018546":"168012","S00018547":"175164","S00018548":"120956","S00018549":"91322","S00018550":"84896","S00018552":"113514","S00018553":"196032","S00018554":"149707","S00018555":"133454","S00018556":"82400","S00018558":"144746","S00018559":"121445","S00018561":"139226","S00018562":"125872","S00018563":"153340","S00018564":"65443","S00018565":"109368","S00018566":"98191","S00018567":"101555","S00018568":"193769","S00018569":"111604","S00018570":"121567","S00018571":"138722","S00018572":"171635","S00018573":"227262","S00018574":"103322","S00018575":"135567","S00018576":"113314","S00018577":"79653","S00018578":"62320","S00018579":"89346","S00018580":"69493","S00018581":"63122"},{"Metabolite":"THYMIDINE (CAS# 50-89-5); (M+H)+","S00018536":"","S00018537":"","S00018538":"16038","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"14404","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"THYMIDINE (CAS# 50-89-5); (M+NA)+","S00018536":"67177","S00018537":"51437","S00018538":"24693","S00018539":"56744","S00018540":"50382","S00018541":"47545","S00018542":"51445","S00018543":"51055","S00018544":"54276","S00018545":"56206","S00018546":"43567","S00018547":"23641","S00018548":"36337","S00018549":"61593","S00018550":"37372","S00018552":"90158","S00018553":"74297","S00018554":"49116","S00018555":"58544","S00018556":"31480","S00018558":"61523","S00018559":"60372","S00018561":"62159","S00018562":"60216","S00018563":"41682","S00018564":"22573","S00018565":"50527","S00018566":"46922","S00018567":"45087","S00018568":"52164","S00018569":"33448","S00018570":"47824","S00018571":"41941","S00018572":"67761","S00018573":"48387","S00018574":"40307","S00018575":"49187","S00018576":"36649","S00018577":"49588","S00018578":"54775","S00018579":"45472","S00018580":"64417","S00018581":"38303"},{"Metabolite":"THYMIDINE 5'-MONOPHOSPHATE (CAS# 365-07-1); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"1448","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"1162","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"1138","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"1626","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"THYROXINE (CAS# 51-48-9); (M+H)+","S00018536":"2972","S00018537":"3552","S00018538":"3924","S00018539":"4029","S00018540":"3231","S00018541":"4477","S00018542":"2867","S00018543":"2998","S00018544":"2751","S00018545":"3206","S00018546":"3300","S00018547":"4035","S00018548":"3009","S00018549":"2743","S00018550":"","S00018552":"3014","S00018553":"","S00018554":"2919","S00018555":"3067","S00018556":"1804","S00018558":"2563","S00018559":"3860","S00018561":"2828","S00018562":"2822","S00018563":"2060","S00018564":"","S00018565":"1294","S00018566":"","S00018567":"2188","S00018568":"2809","S00018569":"3087","S00018570":"2197","S00018571":"2103","S00018572":"1408","S00018573":"2880","S00018574":"3904","S00018575":"2460","S00018576":"2651","S00018577":"2883","S00018578":"2567","S00018579":"3483","S00018580":"1575","S00018581":""},{"Metabolite":"TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M+H)+","S00018536":"4816","S00018537":"3260","S00018538":"","S00018539":"3284","S00018540":"3582","S00018541":"4727","S00018542":"5650","S00018543":"","S00018544":"4564","S00018545":"","S00018546":"5759","S00018547":"","S00018548":"5312","S00018549":"","S00018550":"5333","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"4990","S00018558":"19519","S00018559":"","S00018561":"2725","S00018562":"3486","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"7275","S00018569":"","S00018570":"","S00018571":"1859","S00018572":"3355","S00018573":"4107","S00018574":"3124","S00018575":"3633","S00018576":"","S00018577":"","S00018578":"7301","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"TRANS-ACONITATE (CAS# 4023-65-8); (M+NA)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"1094","S00018581":""},{"Metabolite":"TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+","S00018536":"4917","S00018537":"3833","S00018538":"","S00018539":"3361","S00018540":"","S00018541":"3281","S00018542":"","S00018543":"2836","S00018544":"","S00018545":"","S00018546":"","S00018547":"6433","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"1014","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"6475","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"6443","S00018571":"2915","S00018572":"","S00018573":"","S00018574":"","S00018575":"2226","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"TRYPTOPHAN (CAS# 73-22-3); (M+H)+","S00018536":"13300000","S00018537":"11600000","S00018538":"15100000","S00018539":"12800000","S00018540":"11800000","S00018541":"12500000","S00018542":"14200000","S00018543":"13100000","S00018544":"13600000","S00018545":"13800000","S00018546":"15600000","S00018547":"13800000","S00018548":"9949682","S00018549":"10700000","S00018550":"10400000","S00018552":"12300000","S00018553":"10300000","S00018554":"10700000","S00018555":"12100000","S00018556":"13000000","S00018558":"13400000","S00018559":"13600000","S00018561":"11300000","S00018562":"11600000","S00018563":"10600000","S00018564":"11100000","S00018565":"11300000","S00018566":"15900000","S00018567":"10800000","S00018568":"11800000","S00018569":"12100000","S00018570":"11500000","S00018571":"10400000","S00018572":"10100000","S00018573":"10000000","S00018574":"12900000","S00018575":"10800000","S00018576":"14000000","S00018577":"12600000","S00018578":"10500000","S00018579":"15500000","S00018580":"12700000","S00018581":"9941901"},{"Metabolite":"TRYPTOPHAN (CAS# 73-22-3); (M+NA)+","S00018536":"565017","S00018537":"491987","S00018538":"546179","S00018539":"558807","S00018540":"514286","S00018541":"541372","S00018542":"623643","S00018543":"589813","S00018544":"613150","S00018545":"624511","S00018546":"691997","S00018547":"631073","S00018548":"469798","S00018549":"509312","S00018550":"489856","S00018552":"574506","S00018553":"496081","S00018554":"513875","S00018555":"572878","S00018556":"611430","S00018558":"626750","S00018559":"625355","S00018561":"525004","S00018562":"535773","S00018563":"490607","S00018564":"456882","S00018565":"522113","S00018566":"645266","S00018567":"502003","S00018568":"538422","S00018569":"561228","S00018570":"549204","S00018571":"492542","S00018572":"473123","S00018573":"481630","S00018574":"628159","S00018575":"534641","S00018576":"686061","S00018577":"621924","S00018578":"520421","S00018579":"744795","S00018580":"634426","S00018581":"487970"},{"Metabolite":"TRYPTOPHANAMIDE (CAS# 20696-57-5); (M+H)+","S00018536":"1413","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"1696","S00018542":"1218","S00018543":"","S00018544":"2379","S00018545":"","S00018546":"1177","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"3844","S00018553":"","S00018554":"","S00018555":"","S00018556":"2672","S00018558":"","S00018559":"","S00018561":"","S00018562":"3085","S00018563":"3112","S00018564":"","S00018565":"","S00018566":"22681","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"1393","S00018575":"","S00018576":"","S00018577":"","S00018578":"1077","S00018579":"","S00018580":"","S00018581":"1284"},{"Metabolite":"TRYPTOPHANAMIDE (CAS# 20696-57-5); (M+NA)+","S00018536":"1705","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"1206","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"","S00018561":"1222","S00018562":"","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"1765","S00018581":"1039"},{"Metabolite":"TYROSINE (CAS# 60-18-4); (M+H)+","S00018536":"7982331","S00018537":"7038426","S00018538":"12200000","S00018539":"7735770","S00018540":"8801320","S00018541":"6388240","S00018542":"8085260","S00018543":"5423183","S00018544":"6213919","S00018545":"7367055","S00018546":"6671491","S00018547":"5835587","S00018548":"5894332","S00018549":"6003813","S00018550":"4462177","S00018552":"8111595","S00018553":"4793182","S00018554":"3975408","S00018555":"3434348","S00018556":"4711517","S00018558":"6336774","S00018559":"5231576","S00018561":"4356581","S00018562":"5995480","S00018563":"4114521","S00018564":"8879120","S00018565":"6171802","S00018566":"8867697","S00018567":"5317063","S00018568":"5706377","S00018569":"4659009","S00018570":"4917741","S00018571":"5912873","S00018572":"4918553","S00018573":"4224099","S00018574":"4408768","S00018575":"4190080","S00018576":"8262313","S00018577":"4451426","S00018578":"5658146","S00018579":"5348843","S00018580":"5001761","S00018581":"4508215"},{"Metabolite":"TYROSINE (CAS# 60-18-4); (M+NA)+","S00018536":"","S00018537":"64065","S00018538":"98307","S00018539":"69463","S00018540":"60388","S00018541":"58455","S00018542":"70954","S00018543":"53443","S00018544":"60015","S00018545":"69092","S00018546":"60888","S00018547":"","S00018548":"45858","S00018549":"47709","S00018550":"34330","S00018552":"71028","S00018553":"45566","S00018554":"","S00018555":"","S00018556":"","S00018558":"","S00018559":"51465","S00018561":"45050","S00018562":"55347","S00018563":"42784","S00018564":"58587","S00018565":"","S00018566":"","S00018567":"","S00018568":"44724","S00018569":"","S00018570":"46289","S00018571":"47264","S00018572":"46526","S00018573":"40842","S00018574":"45595","S00018575":"39904","S00018576":"70833","S00018577":"36616","S00018578":"50266","S00018579":"","S00018580":"52448","S00018581":"38102"},{"Metabolite":"URATE (CAS# 69-93-2); (M+H)+","S00018536":"486318","S00018537":"","S00018538":"","S00018539":"","S00018540":"252404","S00018541":"","S00018542":"453721","S00018543":"","S00018544":"","S00018545":"","S00018546":"490374","S00018547":"421458","S00018548":"","S00018549":"711299","S00018550":"400189","S00018552":"451019","S00018553":"511843","S00018554":"456710","S00018555":"","S00018556":"5809","S00018558":"","S00018559":"","S00018561":"413513","S00018562":"280325","S00018563":"","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"326905","S00018569":"","S00018570":"414408","S00018571":"315508","S00018572":"","S00018573":"","S00018574":"406032","S00018575":"166604","S00018576":"","S00018577":"398907","S00018578":"","S00018579":"","S00018580":"","S00018581":"206849"},{"Metabolite":"URIDINE (CAS# 58-96-8); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"","S00018558":"6195","S00018559":"","S00018561":"","S00018562":"","S00018563":"2967","S00018564":"","S00018565":"","S00018566":"","S00018567":"3641","S00018568":"1531","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"","S00018580":"","S00018581":""},{"Metabolite":"URIDINE (CAS# 58-96-8); (M+NA)+","S00018536":"13316","S00018537":"37022","S00018538":"","S00018539":"6894","S00018540":"8323","S00018541":"4970","S00018542":"8990","S00018543":"10052","S00018544":"10748","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"11598","S00018550":"","S00018552":"","S00018553":"9011","S00018554":"11262","S00018555":"","S00018556":"","S00018558":"12320","S00018559":"","S00018561":"38062","S00018562":"","S00018563":"18559","S00018564":"","S00018565":"15868","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"16618","S00018576":"","S00018577":"7813","S00018578":"","S00018579":"","S00018580":"32667","S00018581":""},{"Metabolite":"UROCANATE (CAS# 104-98-3); (M+H)+","S00018536":"1003167","S00018537":"991530","S00018538":"","S00018539":"","S00018540":"777618","S00018541":"","S00018542":"538882","S00018543":"","S00018544":"658070","S00018545":"653691","S00018546":"","S00018547":"","S00018548":"593949","S00018549":"591569","S00018550":"","S00018552":"368135","S00018553":"430267","S00018554":"364406","S00018555":"251690","S00018556":"305709","S00018558":"218829","S00018559":"414824","S00018561":"213451","S00018562":"639203","S00018563":"175063","S00018564":"91285","S00018565":"226427","S00018566":"210512","S00018567":"204618","S00018568":"501635","S00018569":"304154","S00018570":"595562","S00018571":"205757","S00018572":"282806","S00018573":"640897","S00018574":"546677","S00018575":"507894","S00018576":"266707","S00018577":"","S00018578":"307169","S00018579":"305304","S00018580":"746864","S00018581":"200813"},{"Metabolite":"URSODIOL (CAS# 128-13-2); (M+NA)+","S00018536":"25945","S00018537":"59243","S00018538":"63760","S00018539":"22688","S00018540":"40678","S00018541":"58468","S00018542":"17926","S00018543":"55674","S00018544":"16797","S00018545":"9689","S00018546":"27327","S00018547":"44051","S00018548":"40395","S00018549":"38560","S00018550":"23106","S00018552":"31723","S00018553":"43851","S00018554":"35798","S00018555":"29597","S00018556":"21247","S00018558":"65028","S00018559":"","S00018561":"","S00018562":"41493","S00018563":"19595","S00018564":"15891","S00018565":"21022","S00018566":"25705","S00018567":"15302","S00018568":"19162","S00018569":"23822","S00018570":"","S00018571":"34163","S00018572":"72961","S00018573":"","S00018574":"36774","S00018575":"","S00018576":"17161","S00018577":"14453","S00018578":"9299","S00018579":"13830","S00018580":"15837","S00018581":"16092"},{"Metabolite":"VALINE (CAS# 72-18-4); (M+H)+","S00018536":"3336203","S00018537":"3084800","S00018538":"10100000","S00018539":"1666623","S00018540":"4107895","S00018541":"1391895","S00018542":"6318232","S00018543":"3309774","S00018544":"4184761","S00018545":"4332380","S00018546":"3283605","S00018547":"3532400","S00018548":"3336469","S00018549":"","S00018550":"2750268","S00018552":"5768799","S00018553":"3963780","S00018554":"5462808","S00018555":"3684964","S00018556":"3787035","S00018558":"3262927","S00018559":"3414093","S00018561":"2694370","S00018562":"2785782","S00018563":"3119987","S00018564":"7604658","S00018565":"3479293","S00018566":"4292681","S00018567":"3184333","S00018568":"3629844","S00018569":"3265184","S00018570":"3127413","S00018571":"2906601","S00018572":"2768520","S00018573":"2426614","S00018574":"2539157","S00018575":"1755791","S00018576":"3625536","S00018577":"3208759","S00018578":"2872217","S00018579":"3492635","S00018580":"3349795","S00018581":"2353773"},{"Metabolite":"VALINE (CAS# 72-18-4); (M+NA)+","S00018536":"403414","S00018537":"23749","S00018538":"18623","S00018539":"25544","S00018540":"","S00018541":"","S00018542":"25304","S00018543":"24732","S00018544":"26322","S00018545":"31141","S00018546":"24933","S00018547":"24999","S00018548":"51994","S00018549":"","S00018550":"65081","S00018552":"22288","S00018553":"22652","S00018554":"194251","S00018555":"22098","S00018556":"24170","S00018558":"28909","S00018559":"26836","S00018561":"27176","S00018562":"26490","S00018563":"24847","S00018564":"32194","S00018565":"34315","S00018566":"25652","S00018567":"24619","S00018568":"26082","S00018569":"34826","S00018570":"229406","S00018571":"","S00018572":"216983","S00018573":"","S00018574":"25315","S00018575":"28977","S00018576":"23409","S00018577":"41443","S00018578":"35277","S00018579":"28287","S00018580":"38940","S00018581":""},{"Metabolite":"XANTHINE (CAS# 69-89-6); (M+H)+","S00018536":"","S00018537":"","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"4896","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"","S00018552":"","S00018553":"","S00018554":"","S00018555":"","S00018556":"9409","S00018558":"","S00018559":"","S00018561":"","S00018562":"","S00018563":"","S00018564":"","S00018565":"11270","S00018566":"8886","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"","S00018574":"","S00018575":"","S00018576":"17162","S00018577":"","S00018578":"","S00018579":"9100","S00018580":"","S00018581":"7978"},{"Metabolite":"XANTHOSINE (CAS# 146-80-5); (M+H)+","S00018536":"27711","S00018537":"43852","S00018538":"23086","S00018539":"19125","S00018540":"21409","S00018541":"14351","S00018542":"26937","S00018543":"26304","S00018544":"20346","S00018545":"20993","S00018546":"24216","S00018547":"22343","S00018548":"28852","S00018549":"33680","S00018550":"24774","S00018552":"12930","S00018553":"15572","S00018554":"25400","S00018555":"13461","S00018556":"18673","S00018558":"19486","S00018559":"22694","S00018561":"43559","S00018562":"42933","S00018563":"52767","S00018564":"16251","S00018565":"46240","S00018566":"28460","S00018567":"20513","S00018568":"17726","S00018569":"28100","S00018570":"26949","S00018571":"30454","S00018572":"46982","S00018573":"16827","S00018574":"34201","S00018575":"19742","S00018576":"21368","S00018577":"17410","S00018578":"18841","S00018579":"22524","S00018580":"40951","S00018581":"12736"},{"Metabolite":"XANTHOSINE (CAS# 146-80-5); (M+NA)+","S00018536":"15681","S00018537":"24146","S00018538":"18920","S00018539":"11970","S00018540":"12748","S00018541":"9944","S00018542":"15921","S00018543":"17372","S00018544":"13300","S00018545":"11822","S00018546":"13886","S00018547":"12432","S00018548":"15102","S00018549":"21540","S00018550":"12984","S00018552":"10495","S00018553":"9362","S00018554":"15381","S00018555":"8146","S00018556":"9584","S00018558":"10658","S00018559":"15457","S00018561":"24308","S00018562":"27388","S00018563":"31640","S00018564":"","S00018565":"26057","S00018566":"23041","S00018567":"11913","S00018568":"10061","S00018569":"16970","S00018570":"18915","S00018571":"16433","S00018572":"28818","S00018573":"11510","S00018574":"22243","S00018575":"10592","S00018576":"13339","S00018577":"11000","S00018578":"10037","S00018579":"15592","S00018580":"25628","S00018581":"7628"},{"Metabolite":"XANTHURENIC ACID (CAS# 59-00-7); (M+H)+","S00018536":"","S00018537":"10997","S00018538":"7485","S00018539":"","S00018540":"4195","S00018541":"2290","S00018542":"4789","S00018543":"12386","S00018544":"3616","S00018545":"10206","S00018546":"6314","S00018547":"3067","S00018548":"","S00018549":"2568","S00018550":"","S00018552":"4407","S00018553":"3537","S00018554":"","S00018555":"2735","S00018556":"","S00018558":"4119","S00018559":"","S00018561":"6482","S00018562":"8645","S00018563":"6451","S00018564":"4574","S00018565":"10445","S00018566":"5704","S00018567":"10958","S00018568":"8446","S00018569":"4906","S00018570":"5068","S00018571":"","S00018572":"3972","S00018573":"3377","S00018574":"2167","S00018575":"2483","S00018576":"","S00018577":"","S00018578":"4661","S00018579":"7318","S00018580":"","S00018581":"5478"},{"Metabolite":"XYLOSE (CAS# 58-86-6); (2M+NA)+[-H2O]","S00018536":"","S00018537":"4968","S00018538":"","S00018539":"","S00018540":"","S00018541":"","S00018542":"","S00018543":"","S00018544":"","S00018545":"","S00018546":"","S00018547":"","S00018548":"","S00018549":"","S00018550":"7597","S00018552":"","S00018553":"7783","S00018554":"","S00018555":"7612","S00018556":"","S00018558":"8993","S00018559":"","S00018561":"","S00018562":"","S00018563":"3393","S00018564":"","S00018565":"","S00018566":"","S00018567":"","S00018568":"","S00018569":"","S00018570":"","S00018571":"","S00018572":"","S00018573":"4977","S00018574":"","S00018575":"","S00018576":"","S00018577":"","S00018578":"","S00018579":"7022","S00018580":"","S00018581":""},{"Metabolite":"ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+","S00018536":"1178094","S00018537":"1203365","S00018538":"1233097","S00018539":"1173788","S00018540":"1176381","S00018541":"1154548","S00018542":"1117706","S00018543":"1173569","S00018544":"1142474","S00018545":"1173988","S00018546":"1174836","S00018547":"1149926","S00018548":"1222819","S00018549":"1167240","S00018550":"1185061","S00018552":"1188361","S00018553":"1145141","S00018554":"1109918","S00018555":"1055529","S00018556":"1205775","S00018558":"1190390","S00018559":"1223640","S00018561":"1195213","S00018562":"1248370","S00018563":"1222391","S00018564":"1125707","S00018565":"1170502","S00018566":"1255068","S00018567":"1081979","S00018568":"1102067","S00018569":"1067695","S00018570":"1180088","S00018571":"1098000","S00018572":"1148059","S00018573":"1211559","S00018574":"1143973","S00018575":"1156605","S00018576":"1176025","S00018577":"1132987","S00018578":"1109396","S00018579":"1270117","S00018580":"1169949","S00018581":"1006903"}],

"Metabolites":[{"Metabolite":"(-)-COTININE (CAS# 486-56-6); (M+H)+","moverz_quant":"176.0946","ri":"1.862","ri_type":"","pubchem_id":"854019","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8); (M+H)+","moverz_quant":"101.0473","ri":"0.983","ri_type":"","pubchem_id":"5460234","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+","moverz_quant":"281.1145","ri":"3.033","ri_type":"","pubchem_id":"27476","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"1-METHYLURIC ACID (CAS# 708-79-2); (M+H)+","moverz_quant":"182.0425","ri":"2.287","ri_type":"","pubchem_id":"69726","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"1-METHYLXANTHINE (CAS# 6136-37-4); (M+H)+","moverz_quant":"166.0486","ri":"2.529","ri_type":"","pubchem_id":"80220","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"1-METHYLXANTHINE (CAS# 6136-37-4); (M+NA)+","moverz_quant":"166.0479","ri":"2.53","ri_type":"","pubchem_id":"80220","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O]","moverz_quant":"356.2894","ri":"22.886","ri_type":"","pubchem_id":"5283468","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+","moverz_quant":"356.2932","ri":"22.735","ri_type":"","pubchem_id":"5283468","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+H)+[-H2O]","moverz_quant":"188.1411","ri":"13.548","ri_type":"","pubchem_id":"6991989","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+","moverz_quant":"188.1395","ri":"13.174","ri_type":"","pubchem_id":"6991989","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"11-DEOXYCORTICOSTERONE (CAS# 64-85-7); (M+H)+","moverz_quant":"330.2173","ri":"17.236","ri_type":"","pubchem_id":"6166","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"11-DEOXYCORTISOL (CAS# 152-58-9); (M+H)+","moverz_quant":"346.2129","ri":"15.449","ri_type":"","pubchem_id":"440707","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"11-DEOXYCORTISOL (CAS# 152-58-9); (M+NA)+","moverz_quant":"346.2148","ri":"15.45","ri_type":"","pubchem_id":"440707","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"16:0 LYSO PC (CAS# 17364-16-8); (M+H)+","moverz_quant":"495.3333","ri":"22.239","ri_type":"","pubchem_id":"460602","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+","moverz_quant":"495.3336","ri":"22.366","ri_type":"","pubchem_id":"460602","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+NA)+","moverz_quant":"330.2224","ri":"17.652","ri_type":"","pubchem_id":"6238","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"18:0 LYSO-PE (CAS# 69747-55-3); (2M+NA)+","moverz_quant":"481.3208","ri":"22.719","ri_type":"","pubchem_id":"9547068","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+","moverz_quant":"481.3215","ri":"22.775","ri_type":"","pubchem_id":"9547068","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+","moverz_quant":"481.3174","ri":"22.338","ri_type":"","pubchem_id":"9547068","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+","moverz_quant":"267.0979","ri":"1.801","ri_type":"","pubchem_id":"187790","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+","moverz_quant":"164.0684","ri":"0.721","ri_type":"","pubchem_id":"439268","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2-HYDROXYBUTYRATE (CAS# ); (M+NA)+","moverz_quant":"104.047","ri":"1.462","ri_type":"","pubchem_id":"11266","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2-METHOXYESTRADIOL (CAS# 362-07-2); (M+H)+[-H2O]","moverz_quant":"302.1883","ri":"17.368","ri_type":"","pubchem_id":"66414","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+","moverz_quant":"146.0583","ri":"3.559","ri_type":"","pubchem_id":"12046","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2-METHYLMALEATE (CAS# 498-23-7); (M+H)+","moverz_quant":"130.026","ri":"2.604","ri_type":"","pubchem_id":"643798","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2O]","moverz_quant":"87.0684","ri":"0.777","ri_type":"","pubchem_id":"9023","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"20:0 LYSO PC (CAS# 108341-80-6); (M+H)+","moverz_quant":"551.3898","ri":"22.969","ri_type":"","pubchem_id":"24779473","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+","moverz_quant":"551.3964","ri":"22.939","ri_type":"","pubchem_id":"24779473","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+","moverz_quant":"814.6855","ri":"27.67","ri_type":"","pubchem_id":"44260127","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+H)+","moverz_quant":"182.0562","ri":"3.996","ri_type":"","pubchem_id":"9378","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M+H)+","moverz_quant":"153.0415","ri":"1.028","ri_type":"","pubchem_id":"65083","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O]","moverz_quant":"103.0634","ri":"1.831","ri_type":"","pubchem_id":"64956","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)+","moverz_quant":"162.0514","ri":"1.738","ri_type":"","pubchem_id":"1662","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-HYDROXYANTHRANILATE (CAS# 548-93-6); (M+H)+","moverz_quant":"153.0432","ri":"2.935","ri_type":"","pubchem_id":"86","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O]","moverz_quant":"122.0373","ri":"4.82","ri_type":"","pubchem_id":"101","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-HYDROXYKYNURENINE (CAS# 2147-61-7); (M+H)+","moverz_quant":"224.0787","ri":"1.424","ri_type":"","pubchem_id":"11811","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-METHOXYTYROSINE (CAS# 4214-13-5); (M+H)+","moverz_quant":"211.0859","ri":"2.045","ri_type":"","pubchem_id":"9307","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+","moverz_quant":"146.0583","ri":"3.559","ri_type":"","pubchem_id":"12284","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-METHYL-2-BUTENAL (CAS# 107-86-8); (M+NA)+","moverz_quant":"84.0571","ri":"2.706","ri_type":"","pubchem_id":"61020","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+","moverz_quant":"160.0738","ri":"5.714","ri_type":"","pubchem_id":"12292","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-METHYLXANTHINE (CAS# 1076-22-8); (M+H)+","moverz_quant":"166.0498","ri":"2.222","ri_type":"","pubchem_id":"70639","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+NA)+","moverz_quant":"318.2574","ri":"20.772","ri_type":"","pubchem_id":"92787","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3BETA-HYDROXYANDROST-5-EN-17-ONE (CAS# 53-43-0); (M+H)+","moverz_quant":"288.2067","ri":"17.355","ri_type":"","pubchem_id":"5881","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+H)+","moverz_quant":"145.0726","ri":"1.824","ri_type":"","pubchem_id":"18189","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+","moverz_quant":"145.0738","ri":"1.828","ri_type":"","pubchem_id":"18189","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-COUMARATE (CAS# 501-98-4); (M+H)+[-H2O]","moverz_quant":"164.0481","ri":"7.024","ri_type":"","pubchem_id":"637542","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-GUANIDINOBUTANOATE (CAS# 463-00-3 ); (M+H)+","moverz_quant":"145.0862","ri":"0.898","ri_type":"","pubchem_id":"500","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-HYDROXY-3-METHOXY-BENZENEMETHANOL (CAS# 498-00-0); (M+H)+[-H2O]","moverz_quant":"154.0644","ri":"3.81","ri_type":"","pubchem_id":"62348","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4); (M+H)+[-H2O]","moverz_quant":"184.0739","ri":"2.605","ri_type":"","pubchem_id":"688030","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M+H)+","moverz_quant":"131.0581","ri":"0.657","ri_type":"","pubchem_id":"440015","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M+H)+","moverz_quant":"122.038","ri":"5.008","ri_type":"","pubchem_id":"126","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M+H)+","moverz_quant":"152.0459","ri":"4.686","ri_type":"","pubchem_id":"127","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M+NA)+","moverz_quant":"130.0629","ri":"4.675","ri_type":"","pubchem_id":"70","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-METHYLCATECHOL (CAS# 452-86-8); (M+H)+","moverz_quant":"124.0537","ri":"2.347","ri_type":"","pubchem_id":"9958","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-PYRIDOXATE (CAS# 82-82-6); (M+H)+","moverz_quant":"183.0522","ri":"1.926","ri_type":"","pubchem_id":"6723","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-PYRIDOXATE (CAS# 82-82-6); (M+H)+[-H2O]","moverz_quant":"183.052","ri":"2.189","ri_type":"","pubchem_id":"6723","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-PYRIDOXATE (CAS# 82-82-6); (M+NA)+","moverz_quant":"183.0537","ri":"1.923","ri_type":"","pubchem_id":"6723","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M+H)+","moverz_quant":"173.0476","ri":"4.996","ri_type":"","pubchem_id":"10243","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+","moverz_quant":"297.0902","ri":"4.529","ri_type":"","pubchem_id":"439176","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+","moverz_quant":"297.0895","ri":"4.532","ri_type":"","pubchem_id":"439176","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5-AMINOLEVULINATE (CAS# 106-60-5); (M+H)+","moverz_quant":"131.0581","ri":"0.657","ri_type":"","pubchem_id":"137","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5-AMINOLEVULINATE (CAS# 106-60-5); (M+NA)+","moverz_quant":"131.0573","ri":"0.655","ri_type":"","pubchem_id":"137","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+","moverz_quant":"117.0789","ri":"0.741","ri_type":"","pubchem_id":"138","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+NA)+","moverz_quant":"191.0576","ri":"4.329","ri_type":"","pubchem_id":"1826","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M+H)+","moverz_quant":"220.0862","ri":"1.803","ri_type":"","pubchem_id":"439280","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5-METHYLCYTOSINE (CAS# 554-01-8); (M+H)+","moverz_quant":"125.0578","ri":"0.793","ri_type":"","pubchem_id":"65040","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5-OXOPROLINE (CAS# 4042-36-8); (M+H)+","moverz_quant":"129.0433","ri":"1.13","ri_type":"","pubchem_id":"7405","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5-OXOPROLINE (CAS# 4042-36-8); (M+NA)+","moverz_quant":"129.0425","ri":"1.173","ri_type":"","pubchem_id":"7405","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5-VALEROLACTONE (CAS# 542-28-9); (M+H)+","moverz_quant":"100.0515","ri":"2.056","ri_type":"","pubchem_id":"10953","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)+[-H2O]","moverz_quant":"386.355","ri":"24.643","ri_type":"","pubchem_id":"65728","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+","moverz_quant":"160.0738","ri":"5.715","ri_type":"","pubchem_id":"385","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"6-HYDROXYDOPAMINE (CAS# 0); (2M+H)+[-H2O]","moverz_quant":"169.0738","ri":"2.049","ri_type":"","pubchem_id":"4624","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ABRINE (CAS# 526-31-8); (M+H)+","moverz_quant":"218.1037","ri":"3.563","ri_type":"","pubchem_id":"160511","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+NA)+","moverz_quant":"151.062","ri":"2.905","ri_type":"","pubchem_id":"1983","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ACETOACETATE (CAS# 541-50-4); (M+H)+","moverz_quant":"102.0315","ri":"2.612","ri_type":"","pubchem_id":"96","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ACETYLCARNITINE (CAS# 461-77-8); (M+H)+","moverz_quant":"203.1149","ri":"0.955","ri_type":"","pubchem_id":"18230","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ACETYLCHOLINE (CAS# 51-84-3); M+","moverz_quant":"146.1181","ri":"3.889","ri_type":"","pubchem_id":"187","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ADENINE (CAS# 73-24-5); (M+H)+","moverz_quant":"135.0544","ri":"0.988","ri_type":"","pubchem_id":"190","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ADENOSINE (CAS# 58-61-7); (M+H)+","moverz_quant":"267.0976","ri":"1.801","ri_type":"","pubchem_id":"60961","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+","moverz_quant":"347.0639","ri":"0.69","ri_type":"","pubchem_id":"6083","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ADENOSINE 5'-PHOSPHOSULFATE (CAS# 485-84-7); (M+NA)+","moverz_quant":"427.023","ri":"0.579","ri_type":"","pubchem_id":"10238","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+","moverz_quant":"146.0583","ri":"3.559","ri_type":"","pubchem_id":"196","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"AHBA (CAS# 76045-71-1); (M+H)+","moverz_quant":"153.0415","ri":"1.028","ri_type":"","pubchem_id":"127115","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ALANINE (CAS# 56-41-7); (M+H)+","moverz_quant":"89.0478","ri":"1.316","ri_type":"","pubchem_id":"5950","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ALDOSTERONE (CAS# 52-39-1); (M+H)+","moverz_quant":"360.1957","ri":"12.986","ri_type":"","pubchem_id":"5839","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ALDOSTERONE (CAS# 52-39-1); (M+NA)+","moverz_quant":"360.1968","ri":"12.402","ri_type":"","pubchem_id":"5839","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ALLANTOIN (CAS# 97-59-6); (M+NA)+","moverz_quant":"158.0424","ri":"0.705","ri_type":"","pubchem_id":"439714","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ALLOSE (CAS# 2595-97-3); (M+H)+[-H2O]","moverz_quant":"180.0619","ri":"1.746","ri_type":"","pubchem_id":"439507","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M+NA)+","moverz_quant":"260.0303","ri":"0.918","ri_type":"","pubchem_id":"123912","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M+H)+[-H2O]","moverz_quant":"146.0206","ri":"1.034","ri_type":"","pubchem_id":"51","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+","moverz_quant":"278.2221","ri":"22.877","ri_type":"","pubchem_id":"5280934","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ALPHA-TOCOPHEROL (CAS# 59-02-9); (M+H)+","moverz_quant":"430.3777","ri":"24.543","ri_type":"","pubchem_id":"14985","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ARABINOSE (CAS# 147-81-9); (M+NA)+","moverz_quant":"150.052","ri":"0.722","ri_type":"","pubchem_id":"66308","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ARACHIDONYLCARNITINE (*) (CAS# 000-00-0); M+","moverz_quant":"504.4083","ri":"23.214","ri_type":"","pubchem_id":"101431140","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ASPARAGINE (CAS# 70-47-3); (M+NA)+","moverz_quant":"132.0534","ri":"0.911","ri_type":"","pubchem_id":"6267","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ASPARTATE (CAS# 56-84-8); (M+H)+","moverz_quant":"133.0371","ri":"0.895","ri_type":"","pubchem_id":"5960","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ASPARTATE (CAS# 56-84-8); (M+NA)+","moverz_quant":"133.0388","ri":"0.654","ri_type":"","pubchem_id":"5960","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"AZELAIC ACID (CAS# 123-99-9); (M+H)+[-H2O]","moverz_quant":"188.1032","ri":"10.776","ri_type":"","pubchem_id":"2266","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"AZELAIC ACID (CAS# 123-99-9); (M+NA)+","moverz_quant":"188.1059","ri":"10.776","ri_type":"","pubchem_id":"2266","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BENZOATE (CAS# 65-85-0); (M+H)+","moverz_quant":"122.038","ri":"5.008","ri_type":"","pubchem_id":"243","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BETA-ALANINE (CAS# 107-95-9); (M+H)+","moverz_quant":"89.0477","ri":"0.703","ri_type":"","pubchem_id":"239","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85-0); (M+H)+","moverz_quant":"240.1206","ri":"0.638","ri_type":"","pubchem_id":"112072","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BETA-MALTOSE (CAS# 69-79-4); (M+NA)+","moverz_quant":"342.1165","ri":"0.708","ri_type":"","pubchem_id":"439186","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BETAINE (CAS# 107-43-7); (M+H)+","moverz_quant":"117.0789","ri":"0.738","ri_type":"","pubchem_id":"247","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BETAINE (CAS# 107-43-7); (M+NA)+","moverz_quant":"117.0785","ri":"0.58","ri_type":"","pubchem_id":"247","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+","moverz_quant":"390.2785","ri":"23.134","ri_type":"","pubchem_id":"8343","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)+","moverz_quant":"390.2776","ri":"23.13","ri_type":"","pubchem_id":"8343","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BIURET (CAS# 108-19-0); (M+NA)+","moverz_quant":"103.0385","ri":"1.049","ri_type":"","pubchem_id":"7913","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BUTYRYLCARNITINE (*) (CAS# 25576-40-3); (M+H)+","moverz_quant":"231.147","ri":"2.966","ri_type":"","pubchem_id":"213144","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+H)+","moverz_quant":"643.5024","ri":"23.033","ri_type":"","pubchem_id":"46891735","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+NA)+","moverz_quant":"643.5039","ri":"22.975","ri_type":"","pubchem_id":"46891735","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CAFFEINE (CAS# 58-08-2); (M+NA)+","moverz_quant":"194.0812","ri":"5.637","ri_type":"","pubchem_id":"2519","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CARNITINE (CAS# 541-15-1); (M+H)+","moverz_quant":"161.1049","ri":"0.676","ri_type":"","pubchem_id":"10917","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CARNOSINE (CAS# 305-84-0); (M+H)+","moverz_quant":"226.1079","ri":"0.626","ri_type":"","pubchem_id":"439224","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CELLOBIOSE (CAS# 528-50-7); (M+NA)+","moverz_quant":"342.1165","ri":"0.708","ri_type":"","pubchem_id":"294","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CHOLATE (CAS# 81-25-4); (2M+H)+","moverz_quant":"408.2866","ri":"20.381","ri_type":"","pubchem_id":"221493","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CHOLATE (CAS# 81-25-4); (2M+H)+[-H2O]","moverz_quant":"408.2914","ri":"20.382","ri_type":"","pubchem_id":"221493","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CHOLATE (CAS# 81-25-4); (2M+NA)+","moverz_quant":"408.2866","ri":"20.381","ri_type":"","pubchem_id":"221493","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CHOLATE (CAS# 81-25-4); (M+NA)+","moverz_quant":"408.288","ri":"20.379","ri_type":"","pubchem_id":"221493","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]","moverz_quant":"386.355","ri":"24.643","ri_type":"","pubchem_id":"5997","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CHOLESTEROL HYDROGEN SULFATE (CAS# 1256-86-6); M+[-HSO4]","moverz_quant":"466.3105","ri":"23.851","ri_type":"","pubchem_id":"65076","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CHOLINE (CAS# 62-49-7); M+","moverz_quant":"104.1068","ri":"0.684","ri_type":"","pubchem_id":"305","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+","moverz_quant":"183.0651","ri":"0.862","ri_type":"","pubchem_id":"1014","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CHOLINE PHOSPHATE (CAS# 107-73-3); (M+NA)+","moverz_quant":"183.0668","ri":"0.66","ri_type":"","pubchem_id":"1014","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CINNAMIC ACID (CAS# 140-10-3); (M+H)+[-H2O]","moverz_quant":"148.0527","ri":"11.584","ri_type":"","pubchem_id":"444539","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+","moverz_quant":"282.2546","ri":"22.95","ri_type":"","pubchem_id":"5282761","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CIS-ZEATIN (CAS# 1637-39-4); (M+H)+","moverz_quant":"219.1124","ri":"3.936","ri_type":"","pubchem_id":"688597","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CITRAMALATE (CAS# 2306-22-1); (M+NA)+","moverz_quant":"148.0361","ri":"1.407","ri_type":"","pubchem_id":"441696","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CITRATE (CAS# 77-92-9); (M+NA)+","moverz_quant":"192.0262","ri":"1.049","ri_type":"","pubchem_id":"311","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CITRULLINE (CAS# 372-75-8); (M+H)+","moverz_quant":"175.094","ri":"0.674","ri_type":"","pubchem_id":"9750","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CITRULLINE (CAS# 372-75-8); (M+NA)+","moverz_quant":"175.0954","ri":"0.675","ri_type":"","pubchem_id":"9750","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CORTICOSTERONE (CAS# 50-22-6); (M+H)+","moverz_quant":"346.2132","ri":"15.449","ri_type":"","pubchem_id":"5753","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CORTICOSTERONE (CAS# 50-22-6); (M+NA)+","moverz_quant":"346.2148","ri":"15.45","ri_type":"","pubchem_id":"5753","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CORTISOL (CAS# 50-23-7); (M+NA)+","moverz_quant":"362.206","ri":"13.693","ri_type":"","pubchem_id":"5754","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CORTISOL 21-ACETATE (CAS# 50-03-3); (M+H)+","moverz_quant":"404.2162","ri":"15.986","ri_type":"","pubchem_id":"5744","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CORTISOL 21-ACETATE (CAS# 50-03-3); (M+NA)+","moverz_quant":"404.223","ri":"15.78","ri_type":"","pubchem_id":"5744","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CORTISONE (CAS# 53-06-5); (M+H)+","moverz_quant":"360.1972","ri":"13.053","ri_type":"","pubchem_id":"222786","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CREATINE (CAS# 57-00-1); (M+H)+","moverz_quant":"131.0692","ri":"0.702","ri_type":"","pubchem_id":"586","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CREATININE (CAS# 60-27-5); (M+H)+","moverz_quant":"113.0582","ri":"0.689","ri_type":"","pubchem_id":"588","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CREATININE (CAS# 60-27-5); (M+NA)+","moverz_quant":"113.0592","ri":"0.696","ri_type":"","pubchem_id":"588","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CYSTATHIONINE (CAS# 56-88-2); (M+H)+[-H2O]","moverz_quant":"222.0662","ri":"0.687","ri_type":"","pubchem_id":"439258","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CYSTINE (CAS# 56-89-3); (M+H)+","moverz_quant":"240.0219","ri":"0.795","ri_type":"","pubchem_id":"6857538","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CYTIDINE (CAS# 65-46-3); (2M+H)+","moverz_quant":"243.0876","ri":"0.914","ri_type":"","pubchem_id":"6175","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CYTIDINE (CAS# 65-46-3); (M+H)+","moverz_quant":"243.0863","ri":"0.891","ri_type":"","pubchem_id":"6175","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CYTOSINE (CAS# 71-30-7); (M+H)+","moverz_quant":"111.0434","ri":"0.738","ri_type":"","pubchem_id":"597","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CYTOSINE (CAS# 71-30-7); (M+NA)+","moverz_quant":"111.0438","ri":"0.722","ri_type":"","pubchem_id":"597","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"D-(-)-ARABINOSE (CAS# 10323-20-3); (M+NA)+","moverz_quant":"150.052","ri":"0.722","ri_type":"","pubchem_id":"66308","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"D-GALACTOSAMINE (CAS# 7535-00-4); (2M+NA)+","moverz_quant":"179.0805","ri":"0.716","ri_type":"","pubchem_id":"3034366","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+","moverz_quant":"179.0778","ri":"0.657","ri_type":"","pubchem_id":"3034366","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"D-GALACTOSAMINE (CAS# 7535-00-4); (M+K)+","moverz_quant":"179.0796","ri":"0.624","ri_type":"","pubchem_id":"3034366","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"D-GALACTOSAMINE (CAS# 7535-00-4); (M+NA)+","moverz_quant":"179.0792","ri":"0.613","ri_type":"","pubchem_id":"3034366","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"D-GLUCOSAMINE (CAS# 3416-24-8); (M+H)+","moverz_quant":"179.0778","ri":"0.657","ri_type":"","pubchem_id":"439213","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"D-GLUCOSAMINE (CAS# 3416-24-8); (M+NA)+","moverz_quant":"179.0792","ri":"0.613","ri_type":"","pubchem_id":"439213","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+NA)+","moverz_quant":"260.0303","ri":"0.92","ri_type":"","pubchem_id":"5958","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"D-LYXOSE (CAS# 1114-34-7); (M+NA)+","moverz_quant":"150.052","ri":"0.722","ri_type":"","pubchem_id":"65550","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+","moverz_quant":"179.0778","ri":"0.657","ri_type":"","pubchem_id":"3034366","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"D-MANNOSAMINE (CAS# 14307-02-9); (M+K)+","moverz_quant":"179.0796","ri":"0.624","ri_type":"","pubchem_id":"3034366","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"D-MANNOSAMINE (CAS# 14307-02-9); (M+NA)+","moverz_quant":"179.0792","ri":"0.613","ri_type":"","pubchem_id":"3034366","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"D-ORNITHINE (CAS# 348-66-3); (M+H)+","moverz_quant":"132.0898","ri":"0.556","ri_type":"","pubchem_id":"6262","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O]","moverz_quant":"180.0638","ri":"0.708","ri_type":"","pubchem_id":"90008","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DECANOATE (CAS# 334-48-5); (2M+NA)+","moverz_quant":"172.1456","ri":"22.837","ri_type":"","pubchem_id":"2969","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DECANOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+","moverz_quant":"315.2386","ri":"15.446","ri_type":"","pubchem_id":"11953821","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DECENOYLCARNITINE (*) (CAS# 98930-66-6); (M+H)+","moverz_quant":"313.2228","ri":"14.078","ri_type":"","pubchem_id":"57357170","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+[-H2O]","moverz_quant":"174.0149","ri":"0.85","ri_type":"","pubchem_id":"210328","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+","moverz_quant":"392.2902","ri":"21.726","ri_type":"","pubchem_id":"222528","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DEOXYCORTICOSTERONE ACETATE (CAS# 56-47-3); (M+NA)+","moverz_quant":"372.2314","ri":"19.38","ri_type":"","pubchem_id":"5952","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DEOXYCYTIDINE (CAS# 951-77-9); (2M+H)+","moverz_quant":"227.0914","ri":"0.948","ri_type":"","pubchem_id":"13711","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DEOXYCYTIDINE (CAS# 951-77-9); (2M+NA)+","moverz_quant":"227.0903","ri":"0.922","ri_type":"","pubchem_id":"13711","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DEOXYCYTIDINE (CAS# 951-77-9); (M+H)+","moverz_quant":"227.0911","ri":"0.983","ri_type":"","pubchem_id":"13711","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DEOXYCYTIDINE (CAS# 951-77-9); (M+NA)+","moverz_quant":"227.0916","ri":"0.931","ri_type":"","pubchem_id":"13711","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DEOXYURIDINE (CAS# 951-78-0); (M+NA)+","moverz_quant":"228.0749","ri":"1.703","ri_type":"","pubchem_id":"13712","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DESMOSTEROL (CAS# 313-04-2); (M+H)+[-H2O]","moverz_quant":"384.3368","ri":"24.196","ri_type":"","pubchem_id":"439577","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DETHIOBIOTIN (CAS# 533-48-2); (2M+H)+","moverz_quant":"214.1296","ri":"8.021","ri_type":"","pubchem_id":"445027","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DETHIOBIOTIN (CAS# 533-48-2); (M+NA)+","moverz_quant":"214.1315","ri":"8.346","ri_type":"","pubchem_id":"445027","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DI-TERT-BUTYL DICARBONATE (CAS# 24424-99-5); (M+NA)+","moverz_quant":"218.1166","ri":"5.52","ri_type":"","pubchem_id":"90495","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DIETHYLSTILBESTROL (CAS# 56-53-1); (M+H)+","moverz_quant":"268.1456","ri":"18.98","ri_type":"","pubchem_id":"448537","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DODECENOYLCARNITINE (*) II (CAS# 000-00-0); M+","moverz_quant":"342.2622","ri":"16.99","ri_type":"","pubchem_id":"53481671","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DUMP (CAS# 964-26-1); (M+K)+","moverz_quant":"308.0424","ri":"1.186","ri_type":"","pubchem_id":"65063","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"EDTA (CAS# 60-00-4); (M+NA)+","moverz_quant":"292.0931","ri":"0.948","ri_type":"","pubchem_id":"6049","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"EICOSADIENOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+","moverz_quant":"451.3624","ri":"21.748","ri_type":"","pubchem_id":"71464509","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"EICOSANOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+","moverz_quant":"455.3935","ri":"22.177","ri_type":"","pubchem_id":"53477833","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"EICOSATRIENOYLCARNITINE (*) (CAS# 000-00-0); M+","moverz_quant":"422.3234","ri":"21.379","ri_type":"","pubchem_id":"87076458","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"EICOSENOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+","moverz_quant":"453.3778","ri":"21.967","ri_type":"","pubchem_id":"71464507","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ELAIDIC ACID (CAS# 112-79-8); (M+H)+","moverz_quant":"282.2546","ri":"22.95","ri_type":"","pubchem_id":"637517","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ELAIDIC ACID (CAS# 112-79-8); (M+NA)+","moverz_quant":"282.2579","ri":"22.804","ri_type":"","pubchem_id":"637517","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+H)+","moverz_quant":"480.3457","ri":"19.856","ri_type":"","pubchem_id":"115196","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+NA)+","moverz_quant":"480.3464","ri":"19.858","ri_type":"","pubchem_id":"115196","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ERYTHRITOL (CAS# 149-32-6); (M+NA)+","moverz_quant":"122.0587","ri":"0.667","ri_type":"","pubchem_id":"222285","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ESTRADIOL-17BETA (CAS# 50-28-2); (M+NA)+","moverz_quant":"272.1772","ri":"16.286","ri_type":"","pubchem_id":"5757","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ESTRONE (CAS# 53-16-7); (M+H)+","moverz_quant":"270.1602","ri":"16.399","ri_type":"","pubchem_id":"5870","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ETHANOLAMINE (CAS# 141-43-5); (2M+NA)+[-H2O]","moverz_quant":"61.0527","ri":"0.72","ri_type":"","pubchem_id":"700","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ETHANOLAMINE (CAS# 141-43-5); (M+NA)+","moverz_quant":"61.0531","ri":"0.656","ri_type":"","pubchem_id":"700","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+","moverz_quant":"132.0413","ri":"2.97","ri_type":"","pubchem_id":"11756","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"FERULATE (CAS# 1135-24-6); (M+H)+[-H2O]","moverz_quant":"194.0572","ri":"8.056","ri_type":"","pubchem_id":"445858","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"FLUCYTOSINE (CAS# 2022-85-7); (M+H)+","moverz_quant":"129.035","ri":"0.667","ri_type":"","pubchem_id":"3366","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"FRUCTOSE (CAS# 57-48-7); (M+NA)+","moverz_quant":"180.0629","ri":"0.662","ri_type":"","pubchem_id":"5984","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+NA)+","moverz_quant":"182.0781","ri":"0.696","ri_type":"","pubchem_id":"11850","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GALACTURONIC ACID (CAS# 91510-62-2); (2M+NA)+","moverz_quant":"194.0423","ri":"0.581","ri_type":"","pubchem_id":"84740","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+H)+","moverz_quant":"86.036","ri":"2.066","ri_type":"","pubchem_id":"7302","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+","moverz_quant":"278.2221","ri":"22.877","ri_type":"","pubchem_id":"5280933","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M+NA)+","moverz_quant":"346.1383","ri":"8.542","ri_type":"","pubchem_id":"6466","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+","moverz_quant":"346.1431","ri":"8.541","ri_type":"","pubchem_id":"6466","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUCOSAMINATE (CAS# 3646-68-2); (M+NA)+","moverz_quant":"195.074","ri":"0.726","ri_type":"","pubchem_id":"73563","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M+H)+[-H2O]","moverz_quant":"259.0481","ri":"0.696","ri_type":"","pubchem_id":"439217","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUCOSE (CAS# 50-99-7); (2M+NA)+","moverz_quant":"180.0619","ri":"0.684","ri_type":"","pubchem_id":"5793","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O]","moverz_quant":"180.0638","ri":"0.708","ri_type":"","pubchem_id":"5793","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUCOSE (CAS# 50-99-7); (M+NA)+","moverz_quant":"180.0629","ri":"0.662","ri_type":"","pubchem_id":"5793","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUTAMATE (CAS# 56-86-0); (M+H)+","moverz_quant":"147.0537","ri":"0.67","ri_type":"","pubchem_id":"33032","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O]","moverz_quant":"147.0525","ri":"0.652","ri_type":"","pubchem_id":"33032","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUTAMINE (CAS# 56-85-9); (M+NA)+","moverz_quant":"146.0684","ri":"0.638","ri_type":"","pubchem_id":"5961","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUTARATE (CAS# 110-94-1); (M+NA)+","moverz_quant":"132.0416","ri":"2.059","ri_type":"","pubchem_id":"743","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUTARYLCARNITINE (*) (CAS# 102636-82-8); (M+H)+","moverz_quant":"275.137","ri":"1.914","ri_type":"","pubchem_id":"53481622","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2","moverz_quant":"612.1544","ri":"1.406","ri_type":"","pubchem_id":"124886","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCERALDEHYDE (CAS# 367-47-5); (2M+H)+[-H2O]","moverz_quant":"90.0313","ri":"1.789","ri_type":"","pubchem_id":"79014","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+","moverz_quant":"449.3109","ri":"20.683","ri_type":"","pubchem_id":"9548796","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+[-H2O]","moverz_quant":"449.3097","ri":"20.555","ri_type":"","pubchem_id":"9548796","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+","moverz_quant":"449.313","ri":"20.477","ri_type":"","pubchem_id":"9548796","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOCHOLATE (CAS# 475-31-0); (2M+NA)+","moverz_quant":"465.3124","ri":"18.891","ri_type":"","pubchem_id":"10140","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOCHOLATE (CAS# 475-31-0); (M+H)+","moverz_quant":"465.3081","ri":"18.903","ri_type":"","pubchem_id":"10140","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOCHOLATE (CAS# 475-31-0); (M+H)+[-H2O]","moverz_quant":"465.3068","ri":"18.903","ri_type":"","pubchem_id":"10140","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+","moverz_quant":"465.309","ri":"18.901","ri_type":"","pubchem_id":"10140","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+","moverz_quant":"433.3172","ri":"21.747","ri_type":"","pubchem_id":"115245","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+[-H2O]","moverz_quant":"433.3187","ri":"21.755","ri_type":"","pubchem_id":"115245","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GUANINE (CAS# 73-40-5); (M+H)+","moverz_quant":"151.0487","ri":"1.01","ri_type":"","pubchem_id":"764","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HEXANOYLCARNITINE (*) (CAS# 66279-77-4); M+","moverz_quant":"260.186","ri":"7.127","ri_type":"","pubchem_id":"3246939","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HIPPURATE (CAS# 495-69-2); (M+H)+","moverz_quant":"179.0591","ri":"4.82","ri_type":"","pubchem_id":"464","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HIPPURATE (CAS# 495-69-2); (M+NA)+","moverz_quant":"179.0586","ri":"4.82","ri_type":"","pubchem_id":"464","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HISTAMINE (CAS# 51-45-6); (M+H)+","moverz_quant":"111.0798","ri":"0.551","ri_type":"","pubchem_id":"774","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HISTAMINE (CAS# 51-45-6); (M+NA)+","moverz_quant":"111.0794","ri":"0.697","ri_type":"","pubchem_id":"774","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HOMOCYSTEINE (CAS# 454-29-5); (M+H)+","moverz_quant":"135.0362","ri":"0.696","ri_type":"","pubchem_id":"91552","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HOMOCYSTINE (CAS# 462-10-2); (M+H)+","moverz_quant":"268.0573","ri":"0.938","ri_type":"","pubchem_id":"10010","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HOMOGENTISATE (CAS# 451-13-8); (M+H)+","moverz_quant":"168.0408","ri":"2.13","ri_type":"","pubchem_id":"780","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HOMOSERINE (CAS# 672-15-1); (M+NA)+","moverz_quant":"119.0572","ri":"0.65","ri_type":"","pubchem_id":"12647","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HOMOVANILLATE (CAS# 306-08-1); (M+H)+","moverz_quant":"182.0567","ri":"5.694","ri_type":"","pubchem_id":"1738","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+H)+[-H2O]","moverz_quant":"236.1026","ri":"12.88","ri_type":"","pubchem_id":"10444113","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+NA)+","moverz_quant":"236.1049","ri":"13.093","ri_type":"","pubchem_id":"10444113","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"IMIDAZOLE-4-ACETATE (CAS# 645-65-8); (M+H)+","moverz_quant":"126.0423","ri":"0.699","ri_type":"","pubchem_id":"96215","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+","moverz_quant":"159.0686","ri":"1.864","ri_type":"","pubchem_id":"800","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"INDOLE-3-ACETAMIDE (CAS# 879-37-8); (M+H)+","moverz_quant":"174.0797","ri":"5.783","ri_type":"","pubchem_id":"397","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"INDOLE-3-ACETAMIDE (CAS# 879-37-8); (M+NA)+","moverz_quant":"174.0803","ri":"5.813","ri_type":"","pubchem_id":"397","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"INDOLE-3-ACETATE (CAS# 87-51-4); (M+H)+","moverz_quant":"175.0634","ri":"8.449","ri_type":"","pubchem_id":"802","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"INDOLE-3-ACETATE (CAS# 87-51-4); (M+NA)+","moverz_quant":"175.0646","ri":"8.449","ri_type":"","pubchem_id":"802","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"INDOLE-3-ETHANOL (CAS# 526-55-6); (M+H)+","moverz_quant":"161.0844","ri":"8.495","ri_type":"","pubchem_id":"10685","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ISO-BUTYRYLCARNITINE (*) (CAS# 25576-40-3); (M+H)+","moverz_quant":"231.1469","ri":"2.842","ri_type":"","pubchem_id":"168379","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ISOLEUCINE (CAS# 73-32-5); (M+H)+","moverz_quant":"131.0947","ri":"1.613","ri_type":"","pubchem_id":"6306","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ISOLEUCINE (CAS# 73-32-5); (M+NA)+","moverz_quant":"131.0937","ri":"1.554","ri_type":"","pubchem_id":"6306","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ISOVALERYLCARNITINE (*) (CAS# 31023-24-2); (M+H)+","moverz_quant":"245.1625","ri":"4.639","ri_type":"","pubchem_id":"169235","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+","moverz_quant":"210.1237","ri":"13.017","ri_type":"","pubchem_id":"5281166","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"KYNURENIC ACID (CAS# 492-27-3); (M+H)+","moverz_quant":"189.0431","ri":"4.964","ri_type":"","pubchem_id":"3845","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"KYNURENIC ACID (CAS# 492-27-3); (M+NA)+","moverz_quant":"189.0423","ri":"4.921","ri_type":"","pubchem_id":"3845","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"KYNURENINE (CAS# 343-65-7); (M+H)+","moverz_quant":"208.0848","ri":"2.234","ri_type":"","pubchem_id":"161166","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"KYNURENINE (CAS# 343-65-7); (M+NA)+","moverz_quant":"208.0867","ri":"2.225","ri_type":"","pubchem_id":"161166","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O]","moverz_quant":"119.0574","ri":"0.663","ri_type":"","pubchem_id":"99289","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-ARGININE (CAS# 74-79-3); (M+H)+","moverz_quant":"174.1106","ri":"0.636","ri_type":"","pubchem_id":"6322","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-ARGININE (CAS# 74-79-3); (M+NA)+","moverz_quant":"174.1116","ri":"0.622","ri_type":"","pubchem_id":"6322","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (M+H)+","moverz_quant":"176.104","ri":"0.719","ri_type":"","pubchem_id":"16217579","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-HISTIDINE (CAS# 71-00-1); (M+H)+","moverz_quant":"155.0692","ri":"0.647","ri_type":"","pubchem_id":"6274","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-HISTIDINE (CAS# 71-00-1); (M+NA)+","moverz_quant":"155.0706","ri":"0.633","ri_type":"","pubchem_id":"6274","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-ORNITHINE (CAS# 70-26-8); (M+H)+","moverz_quant":"132.0898","ri":"0.556","ri_type":"","pubchem_id":"6262","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+","moverz_quant":"206.0859","ri":"3.67","ri_type":"","pubchem_id":"16217285","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LACTOSE (CAS# 63-42-3); (M+NA)+","moverz_quant":"342.1165","ri":"0.708","ri_type":"","pubchem_id":"440995","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LANOSTEROL (CAS# 79-63-0); (M+NA)+","moverz_quant":"426.3829","ri":"23.85","ri_type":"","pubchem_id":"246983","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LANTHIONINE (CAS# 3183-08-2); (M+H)+","moverz_quant":"208.052","ri":"0.941","ri_type":"","pubchem_id":"102950","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+","moverz_quant":"343.2703","ri":"18.065","ri_type":"","pubchem_id":"168381","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LEUCINE (CAS# 328-39-2); (M+H)+","moverz_quant":"131.0947","ri":"1.618","ri_type":"","pubchem_id":"6106","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LEUCINE (CAS# 328-39-2); (M+NA)+","moverz_quant":"131.0937","ri":"1.554","ri_type":"","pubchem_id":"6106","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+","moverz_quant":"336.2272","ri":"20.575","ri_type":"","pubchem_id":"5280492","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O]","moverz_quant":"336.2283","ri":"20.625","ri_type":"","pubchem_id":"5280492","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+","moverz_quant":"336.2309","ri":"20.599","ri_type":"","pubchem_id":"5280492","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LINOLEOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+","moverz_quant":"423.3338","ri":"21.104","ri_type":"","pubchem_id":"6450015","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LIPOAMIDE (CAS# 940-69-2); (M+NA)+","moverz_quant":"205.0575","ri":"10.436","ri_type":"","pubchem_id":"863","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+","moverz_quant":"376.2943","ri":"22.332","ri_type":"","pubchem_id":"9903","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LYSINE (CAS# 56-87-1); (M+H)+","moverz_quant":"146.1054","ri":"0.556","ri_type":"","pubchem_id":"5962","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LYSINE (CAS# 56-87-1); (M+NA)+","moverz_quant":"146.1045","ri":"0.57","ri_type":"","pubchem_id":"5962","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (M+NA)+[-H2O]","moverz_quant":"168.0435","ri":"1.779","ri_type":"","pubchem_id":"86957","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MALATE (CAS# 636-61-3); (M+NA)+","moverz_quant":"134.0212","ri":"0.904","ri_type":"","pubchem_id":"222656","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MALTOSE (CAS# 69-79-4); (M+NA)+","moverz_quant":"342.1165","ri":"0.708","ri_type":"","pubchem_id":"439186","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MANNITOL (CAS# 69-65-8); (M+NA)+","moverz_quant":"182.0781","ri":"0.696","ri_type":"","pubchem_id":"6251","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+NA)+","moverz_quant":"260.0303","ri":"0.92","ri_type":"","pubchem_id":"439198","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MELATONIN (CAS# 73-31-4); (M+NA)+","moverz_quant":"232.1221","ri":"8.625","ri_type":"","pubchem_id":"896","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MELIBIOSE (CAS# 585-99-9); (M+NA)+","moverz_quant":"342.1156","ri":"0.708","ri_type":"","pubchem_id":"440658","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"METHIONINE (CAS# 63-68-3); (M+H)+","moverz_quant":"149.0515","ri":"1.016","ri_type":"","pubchem_id":"6137","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"METHYL ACETOACETATE (CAS# 105-45-3); (2M+H)+","moverz_quant":"116.0483","ri":"7.509","ri_type":"","pubchem_id":"7757","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)+","moverz_quant":"194.0789","ri":"0.784","ri_type":"","pubchem_id":"94214","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+NA)+","moverz_quant":"189.0807","ri":"11.704","ri_type":"","pubchem_id":"74706","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+","moverz_quant":"224.141","ri":"15.983","ri_type":"","pubchem_id":"5281929","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MEVALONIC ACID (CAS# 674-26-0); (M+NA)+","moverz_quant":"148.0743","ri":"1.643","ri_type":"","pubchem_id":"439230","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+","moverz_quant":"146.0578","ri":"3.559","ri_type":"","pubchem_id":"73917","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MYO-INOSITOL (CAS# 87-89-8); (M+NA)+","moverz_quant":"180.0633","ri":"0.66","ri_type":"","pubchem_id":"892","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MYRISTOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+","moverz_quant":"371.3025","ri":"20.023","ri_type":"","pubchem_id":"3413344","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N'-NITROSONORNICOTINE (CAS# 80508-23-2); (M+H)+","moverz_quant":"177.0915","ri":"1.843","ri_type":"","pubchem_id":"27919","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+","moverz_quant":"169.0837","ri":"0.644","ri_type":"","pubchem_id":"64969","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+NA)+","moverz_quant":"169.0866","ri":"0.619","ri_type":"","pubchem_id":"64969","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+[-H2O]","moverz_quant":"221.0915","ri":"0.522","ri_type":"","pubchem_id":"446101","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+NA)+","moverz_quant":"221.0918","ri":"0.72","ri_type":"","pubchem_id":"446101","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+NA)+","moverz_quant":"221.0918","ri":"0.719","ri_type":"","pubchem_id":"53477792","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+H)+","moverz_quant":"246.1005","ri":"8.002","ri_type":"","pubchem_id":"439917","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+NA)+","moverz_quant":"246.1016","ri":"8.001","ri_type":"","pubchem_id":"439917","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+","moverz_quant":"189.0647","ri":"1.314","ri_type":"","pubchem_id":"185","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)+","moverz_quant":"189.0649","ri":"1.31","ri_type":"","pubchem_id":"185","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+","moverz_quant":"191.0624","ri":"4.259","ri_type":"","pubchem_id":"448580","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+[-H2O]","moverz_quant":"191.0606","ri":"4.074","ri_type":"","pubchem_id":"448580","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+","moverz_quant":"191.0622","ri":"4.073","ri_type":"","pubchem_id":"448580","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+","moverz_quant":"147.0537","ri":"0.691","ri_type":"","pubchem_id":"65249","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O]","moverz_quant":"147.0539","ri":"0.897","ri_type":"","pubchem_id":"65249","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+","moverz_quant":"147.0518","ri":"0.702","ri_type":"","pubchem_id":"65249","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+[-H2O]","moverz_quant":"131.0595","ri":"1.664","ri_type":"","pubchem_id":"88064","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+","moverz_quant":"131.0574","ri":"1.432","ri_type":"","pubchem_id":"88064","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-H2O]","moverz_quant":"175.0469","ri":"1.017","ri_type":"","pubchem_id":"65065","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+","moverz_quant":"175.0475","ri":"1.007","ri_type":"","pubchem_id":"65065","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+","moverz_quant":"173.1043","ri":"7.17","ri_type":"","pubchem_id":"75619","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+","moverz_quant":"173.1057","ri":"7.183","ri_type":"","pubchem_id":"75619","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+H)+","moverz_quant":"207.0909","ri":"7.737","ri_type":"","pubchem_id":"74839","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+","moverz_quant":"207.0898","ri":"7.737","ri_type":"","pubchem_id":"74839","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+[-H2O]","moverz_quant":"221.0915","ri":"0.522","ri_type":"","pubchem_id":"35717","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+NA)+","moverz_quant":"221.0918","ri":"0.717","ri_type":"","pubchem_id":"35717","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYLGLYCINE (CAS# 543-24-8); (M+NA)+","moverz_quant":"117.0437","ri":"1.182","ri_type":"","pubchem_id":"1097","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+H)+","moverz_quant":"309.1061","ri":"0.714","ri_type":"","pubchem_id":"439197","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+","moverz_quant":"309.1055","ri":"0.711","ri_type":"","pubchem_id":"439197","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYLSEROTONIN (CAS# 1210-83-9); (2M+H)+","moverz_quant":"218.1046","ri":"5.242","ri_type":"","pubchem_id":"903","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYLSEROTONIN (CAS# 1210-83-9); (M+H)+","moverz_quant":"218.105","ri":"5.031","ri_type":"","pubchem_id":"903","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYLSEROTONIN (CAS# 1210-83-9); (M+NA)+","moverz_quant":"218.1074","ri":"5.026","ri_type":"","pubchem_id":"903","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+","moverz_quant":"188.115","ri":"0.97","ri_type":"","pubchem_id":"92907","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+","moverz_quant":"127.0987","ri":"7.945","ri_type":"","pubchem_id":"13017","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+","moverz_quant":"127.0997","ri":"7.945","ri_type":"","pubchem_id":"13017","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+","moverz_quant":"147.0537","ri":"0.67","ri_type":"","pubchem_id":"4376","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+","moverz_quant":"147.0518","ri":"0.69","ri_type":"","pubchem_id":"4376","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+H)+[-H2O]","moverz_quant":"161.0685","ri":"2.021","ri_type":"","pubchem_id":"439377","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+","moverz_quant":"161.0703","ri":"1.93","ri_type":"","pubchem_id":"439377","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+[-H2O]","moverz_quant":"161.0703","ri":"2.179","ri_type":"","pubchem_id":"439377","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NAPROXEN (CAS# 22204-53-1); (M+H)+","moverz_quant":"230.0943","ri":"15.918","ri_type":"","pubchem_id":"156391","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NICOTINAMIDE (CAS# 98-92-0); (M+H)+","moverz_quant":"122.0474","ri":"1.128","ri_type":"","pubchem_id":"936","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+H)+","moverz_quant":"334.0574","ri":"1.045","ri_type":"","pubchem_id":"14180","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NICOTINATE (CAS# 59-67-6); (M+H)+","moverz_quant":"123.0324","ri":"1.052","ri_type":"","pubchem_id":"938","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NONANOATE (CAS# 112-05-0); (M+NA)+","moverz_quant":"158.1296","ri":"13.224","ri_type":"","pubchem_id":"8158","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NORADRENALINE (CAS# 51-41-2); (M+H)+","moverz_quant":"169.074","ri":"0.733","ri_type":"","pubchem_id":"951","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NORADRENALINE (CAS# 51-41-2); (M+H)+[-H2O]","moverz_quant":"169.0731","ri":"0.775","ri_type":"","pubchem_id":"951","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NORLEUCINE (CAS# 327-57-1); (M+H)+","moverz_quant":"131.0947","ri":"1.618","ri_type":"","pubchem_id":"21236","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NORMETANEPHRINE (CAS# 97-31-4); (M+H)+","moverz_quant":"183.0886","ri":"2.445","ri_type":"","pubchem_id":"688100","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NORMETANEPHRINE (CAS# 97-31-4); (M+H)+[-H2O]","moverz_quant":"183.0889","ri":"2.631","ri_type":"","pubchem_id":"688100","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NORVALINE (CAS# 6600-40-4); (M+H)+","moverz_quant":"117.0793","ri":"0.894","ri_type":"","pubchem_id":"65098","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NORVALINE (CAS# 6600-40-4); M+[-CO2H]","moverz_quant":"117.0799","ri":"0.904","ri_type":"","pubchem_id":"65098","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M+H)+","moverz_quant":"219.075","ri":"0.988","ri_type":"","pubchem_id":"439406","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OCTANOYLCARNITINE (*) (CAS# 38263-56-8); (M+H)+","moverz_quant":"287.2079","ri":"11.829","ri_type":"","pubchem_id":"123701","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OCTENOYLCARNITINE (*) (CAS# 000-00-0); M+","moverz_quant":"286.2011","ri":"9.565","ri_type":"","pubchem_id":"71464472","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OLEAMIDE (CAS# 301-02-0); (M+H)+","moverz_quant":"281.2714","ri":"22.651","ri_type":"","pubchem_id":"5283387","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OLEAMIDE (CAS# 301-02-0); (M+NA)+","moverz_quant":"281.2695","ri":"22.64","ri_type":"","pubchem_id":"5283387","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OLEIC ACID (CAS# 112-80-1); (M+NA)+","moverz_quant":"282.2552","ri":"22.573","ri_type":"","pubchem_id":"445639","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OLEOYLCARNITINE (*) (CAS# 13962-05-5); (M+H)+","moverz_quant":"425.3502","ri":"21.565","ri_type":"","pubchem_id":"6441392","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M+H)+[-H2O]","moverz_quant":"216.1744","ri":"17.105","ri_type":"","pubchem_id":"79034","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+","moverz_quant":"289.1276","ri":"1.141","ri_type":"","pubchem_id":"7018721","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2","moverz_quant":"612.1544","ri":"1.406","ri_type":"","pubchem_id":"65359","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-80-4); (M+H)+","moverz_quant":"327.0948","ri":"2.558","ri_type":"","pubchem_id":"83944","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PALATINOSE (CAS# 343336-76-5); (M+NA)+","moverz_quant":"342.1165","ri":"0.708","ri_type":"","pubchem_id":"439559","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PALMITOLEYLCARNITINE (*) (CAS# 000-00-0); M+","moverz_quant":"398.3235","ri":"20.567","ri_type":"","pubchem_id":"71464547","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+","moverz_quant":"399.3334","ri":"21.379","ri_type":"","pubchem_id":"11953816","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PANTOTHENATE (CAS# 79-83-4); (M+H)+","moverz_quant":"219.1103","ri":"3.272","ri_type":"","pubchem_id":"6613","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PANTOTHENATE (CAS# 79-83-4); (M+NA)+","moverz_quant":"219.1111","ri":"3.271","ri_type":"","pubchem_id":"6613","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PARAXANTHINE (CAS# 611-59-6); (M+NA)+","moverz_quant":"180.0642","ri":"4.239","ri_type":"","pubchem_id":"4687","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PENICILLAMINE (CAS# 52-67-5); (2M+H)+[-H2]","moverz_quant":"149.0501","ri":"1.246","ri_type":"","pubchem_id":"5852","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PHENYL ACETATE (CAS# 122-79-2); (M+H)+","moverz_quant":"136.0536","ri":"3.808","ri_type":"","pubchem_id":"999","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PHENYLALANINE (CAS# 63-91-2); (M+H)+","moverz_quant":"165.0785","ri":"2.487","ri_type":"","pubchem_id":"6140","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PHENYLALANINE (CAS# 63-91-2); (M+NA)+","moverz_quant":"165.0804","ri":"2.644","ri_type":"","pubchem_id":"6140","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PHENYLEPHRINE (CAS# 59-42-7); (M+H)+","moverz_quant":"167.0956","ri":"1.275","ri_type":"","pubchem_id":"6041","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PHENYLHYDRAZINE (CAS# 100-63-0); (M+H)+","moverz_quant":"108.0678","ri":"3.677","ri_type":"","pubchem_id":"7516","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PHTHALATE (CAS# 88-99-3); (M+NA)+","moverz_quant":"166.026","ri":"4.82","ri_type":"","pubchem_id":"1017","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PICOLINIC ACID (CAS# 98-98-6); (M+H)+","moverz_quant":"123.0324","ri":"1.05","ri_type":"","pubchem_id":"1018","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PINITOL (CAS# 10284-63-6); (M+NA)+","moverz_quant":"194.0789","ri":"0.781","ri_type":"","pubchem_id":"164619","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PIPECOLATE (CAS# 535-75-1); (M+H)+","moverz_quant":"129.0791","ri":"0.686","ri_type":"","pubchem_id":"849","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PIPECOLATE (CAS# 535-75-1); (M+NA)+","moverz_quant":"129.0787","ri":"0.627","ri_type":"","pubchem_id":"849","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M+H)+","moverz_quant":"162.1014","ri":"0.578","ri_type":"","pubchem_id":"83228","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PROGESTERONE (CAS# 57-83-0); (M+H)+","moverz_quant":"314.2217","ri":"19.845","ri_type":"","pubchem_id":"5994","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PROLINE (CAS# 147-85-3); (M+H)+","moverz_quant":"115.0629","ri":"0.714","ri_type":"","pubchem_id":"145742","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PROLINE (CAS# 147-85-3); (M+NA)+","moverz_quant":"115.0632","ri":"0.613","ri_type":"","pubchem_id":"145742","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PROPIONYLCARNITINE (*) (CAS# 17298-37-2); (M+H)+","moverz_quant":"217.131","ri":"1.685","ri_type":"","pubchem_id":"107738","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+","moverz_quant":"352.2216","ri":"16.815","ri_type":"","pubchem_id":"5280360","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+[-H2O]","moverz_quant":"352.2217","ri":"16.719","ri_type":"","pubchem_id":"5280360","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+","moverz_quant":"352.2252","ri":"16.863","ri_type":"","pubchem_id":"5280360","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PROTOPORPHYRIN (CAS# 553-12-8); (M+H)+","moverz_quant":"562.2577","ri":"22.956","ri_type":"","pubchem_id":"4971","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PTERIN (CAS# 2236-60-4); (M+H)+","moverz_quant":"163.0482","ri":"1.862","ri_type":"","pubchem_id":"73000","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PURINE (CAS# 120-73-0); (M+H)+","moverz_quant":"120.0438","ri":"1.332","ri_type":"","pubchem_id":"1044","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PURINE (CAS# 120-73-0); (M+NA)+","moverz_quant":"120.043","ri":"1.393","ri_type":"","pubchem_id":"1044","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PYRIDOXAL (CAS# 66-72-8); (M+H)+","moverz_quant":"167.0567","ri":"1.371","ri_type":"","pubchem_id":"1050","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PYRIDOXINE (CAS# 65-23-6); (M+H)+","moverz_quant":"169.0752","ri":"1.069","ri_type":"","pubchem_id":"1054","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"QUINOLIN-2-OL (CAS# 59-31-4); (M+H)+","moverz_quant":"145.0526","ri":"7.817","ri_type":"","pubchem_id":"6038","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+","moverz_quant":"145.0528","ri":"7.818","ri_type":"","pubchem_id":"6038","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"QUINOLINE (CAS# 91-22-5); (M+H)+","moverz_quant":"129.0569","ri":"2.739","ri_type":"","pubchem_id":"7047","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)+","moverz_quant":"302.2448","ri":"22.213","ri_type":"","pubchem_id":"79050","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"RAFFINOSE (CAS# 512-69-6); (M+NA)+","moverz_quant":"504.1677","ri":"0.721","ri_type":"","pubchem_id":"439242","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"RIBOFLAVIN (CAS# 83-88-5); (M+H)+","moverz_quant":"376.1396","ri":"7.668","ri_type":"","pubchem_id":"493570","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"RIBOFLAVIN (CAS# 83-88-5); (M+NA)+","moverz_quant":"376.1378","ri":"7.666","ri_type":"","pubchem_id":"493570","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"RIBOSE (CAS# 50-69-1); (M+NA)+","moverz_quant":"150.0521","ri":"0.722","ri_type":"","pubchem_id":"5779","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+","moverz_quant":"384.121","ri":"1.561","ri_type":"","pubchem_id":"439155","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SARCOSINE (CAS# 107-97-1); (M+H)+","moverz_quant":"89.0477","ri":"0.703","ri_type":"","pubchem_id":"1088","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SEBACIC ACID (CAS# 111-20-6); (M+NA)+","moverz_quant":"202.1224","ri":"13.016","ri_type":"","pubchem_id":"5192","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SELENOMETHIONINE (CAS# 1464-42-2); (M+H)+","moverz_quant":"196.9956","ri":"1.493","ri_type":"","pubchem_id":"105024","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SELENOMETHIONINE (CAS# 1464-42-2); (M+NA)+","moverz_quant":"196.9949","ri":"1.319","ri_type":"","pubchem_id":"105024","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SERINE (CAS# 56-45-1); (M+H)+","moverz_quant":"105.0422","ri":"0.969","ri_type":"","pubchem_id":"617","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SEROTONIN (CAS# 50-67-9); (M+H)+","moverz_quant":"176.0946","ri":"1.861","ri_type":"","pubchem_id":"5202","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SHIKIMATE (CAS# 138-59-0); (M+H)+[-H2O]","moverz_quant":"174.0517","ri":"1.045","ri_type":"","pubchem_id":"8742","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+H)+","moverz_quant":"257.1028","ri":"0.661","ri_type":"","pubchem_id":"439285","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SPERMIDINE (CAS# 124-20-9); (M+H)+","moverz_quant":"145.1574","ri":"0.567","ri_type":"","pubchem_id":"1102","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SPHINGANINE (CAS# 764-22-7); (M+H)+","moverz_quant":"301.2963","ri":"21.047","ri_type":"","pubchem_id":"644260","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SPHINGANINE (CAS# 764-22-7); (M+NA)+","moverz_quant":"301.296","ri":"21.055","ri_type":"","pubchem_id":"644260","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"STACHYOSE (CAS# 54261-98-2); (M+NA)+","moverz_quant":"666.2212","ri":"0.722","ri_type":"","pubchem_id":"439531","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"STEAROYLCARNITINE (*) (CAS# 1976-27-8); (M+H)+","moverz_quant":"427.364","ri":"21.884","ri_type":"","pubchem_id":"52922056","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SUBERIC ACID (CAS# 505-48-6); (M+H)+[-H2O]","moverz_quant":"174.0877","ri":"8.3","ri_type":"","pubchem_id":"10457","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SUBERIC ACID (CAS# 505-48-6); (M+NA)+","moverz_quant":"174.0905","ri":"8.289","ri_type":"","pubchem_id":"10457","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SUCROSE (CAS# 57-50-1); (M+NA)+","moverz_quant":"342.1165","ri":"0.708","ri_type":"","pubchem_id":"5988","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TAURINE (CAS# 107-35-7); (M+NA)+","moverz_quant":"125.0135","ri":"0.674","ri_type":"","pubchem_id":"1123","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+H)+[-H2O]","moverz_quant":"499.293","ri":"20.479","ri_type":"","pubchem_id":"387316","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+NA)+","moverz_quant":"499.2919","ri":"20.177","ri_type":"","pubchem_id":"387316","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TAUROCHOLATE (CAS# 81-24-3); (M+H)+[-H2O]","moverz_quant":"515.2897","ri":"18.178","ri_type":"","pubchem_id":"6675","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TAUROCHOLATE (CAS# 81-24-3); (M+NA)+","moverz_quant":"515.2922","ri":"18.177","ri_type":"","pubchem_id":"6675","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TAUROLITHOCHOLATE (CAS# 516-90-5); (2M+H)+","moverz_quant":"483.301","ri":"21.515","ri_type":"","pubchem_id":"439763","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TAUROLITHOCHOLATE (CAS# 516-90-5); (2M+NA)+","moverz_quant":"483.3046","ri":"21.52","ri_type":"","pubchem_id":"439763","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+","moverz_quant":"483.304","ri":"22.07","ri_type":"","pubchem_id":"439763","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+[-H2O]","moverz_quant":"483.2978","ri":"22.13","ri_type":"","pubchem_id":"439763","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+","moverz_quant":"483.3029","ri":"21.698","ri_type":"","pubchem_id":"439763","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TETRADECADIENOYLCARNITINE (*) (CAS# 000-00-0); M+","moverz_quant":"368.2784","ri":"17.975","ri_type":"","pubchem_id":"53481681","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TETRADECENOYLCARNITINE (*) (CAS# 000-00-0); M+","moverz_quant":"370.2935","ri":"19.098","ri_type":"","pubchem_id":"22833575","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THEOBROMINE (CAS# 83-67-0); (M+NA)+","moverz_quant":"180.0639","ri":"3.409","ri_type":"","pubchem_id":"5429","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THEOPHYLLINE (CAS# 58-55-9); (M+NA)+","moverz_quant":"180.0642","ri":"4.203","ri_type":"","pubchem_id":"2153","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THREONINE (CAS# 72-19-5); (M+H)+[-H2O]","moverz_quant":"119.0578","ri":"0.909","ri_type":"","pubchem_id":"6288","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THROMBOXANE B2 (CAS# 54397-85-2); (M+H)+[-H2O]","moverz_quant":"370.2321","ri":"16.812","ri_type":"","pubchem_id":"5283137","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THROMBOXANE B2 (CAS# 54397-85-2); (M+NA)+","moverz_quant":"370.2343","ri":"16.621","ri_type":"","pubchem_id":"5283137","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THYMIDINE (CAS# 50-89-5); (M+H)+","moverz_quant":"242.0911","ri":"2.614","ri_type":"","pubchem_id":"5789","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THYMIDINE (CAS# 50-89-5); (M+NA)+","moverz_quant":"242.0899","ri":"2.776","ri_type":"","pubchem_id":"5789","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THYMIDINE 5'-MONOPHOSPHATE (CAS# 365-07-1); (M+H)+","moverz_quant":"322.0552","ri":"1.324","ri_type":"","pubchem_id":"12803287","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THYROXINE (CAS# 51-48-9); (M+H)+","moverz_quant":"776.6902","ri":"16.272","ri_type":"","pubchem_id":"5819","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M+H)+","moverz_quant":"131.0581","ri":"0.657","ri_type":"","pubchem_id":"5810","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TRANS-ACONITATE (CAS# 4023-65-8); (M+NA)+","moverz_quant":"174.017","ri":"1.08","ri_type":"","pubchem_id":"444212","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+","moverz_quant":"59.0734","ri":"0.716","ri_type":"","pubchem_id":"1146","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TRYPTOPHAN (CAS# 73-22-3); (M+H)+","moverz_quant":"204.0897","ri":"3.664","ri_type":"","pubchem_id":"6305","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TRYPTOPHAN (CAS# 73-22-3); (M+NA)+","moverz_quant":"204.0896","ri":"3.665","ri_type":"","pubchem_id":"6305","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TRYPTOPHANAMIDE (CAS# 20696-57-5); (M+H)+","moverz_quant":"203.1051","ri":"2.629","ri_type":"","pubchem_id":"439356","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TRYPTOPHANAMIDE (CAS# 20696-57-5); (M+NA)+","moverz_quant":"203.1057","ri":"2.617","ri_type":"","pubchem_id":"439356","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TYROSINE (CAS# 60-18-4); (M+H)+","moverz_quant":"181.0734","ri":"1.36","ri_type":"","pubchem_id":"6057","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TYROSINE (CAS# 60-18-4); (M+NA)+","moverz_quant":"181.0723","ri":"1.364","ri_type":"","pubchem_id":"6057","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"URATE (CAS# 69-93-2); (M+H)+","moverz_quant":"168.0287","ri":"1.06","ri_type":"","pubchem_id":"1175","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"URIDINE (CAS# 58-96-8); (M+H)+","moverz_quant":"244.0689","ri":"1.315","ri_type":"","pubchem_id":"6029","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"URIDINE (CAS# 58-96-8); (M+NA)+","moverz_quant":"244.0674","ri":"1.317","ri_type":"","pubchem_id":"6029","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"UROCANATE (CAS# 104-98-3); (M+H)+","moverz_quant":"138.0437","ri":"0.968","ri_type":"","pubchem_id":"736715","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"URSODIOL (CAS# 128-13-2); (M+NA)+","moverz_quant":"392.2902","ri":"21.726","ri_type":"","pubchem_id":"31401","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"VALINE (CAS# 72-18-4); (M+H)+","moverz_quant":"117.0793","ri":"0.894","ri_type":"","pubchem_id":"6287","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"VALINE (CAS# 72-18-4); (M+NA)+","moverz_quant":"117.0785","ri":"0.581","ri_type":"","pubchem_id":"6287","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"XANTHINE (CAS# 69-89-6); (M+H)+","moverz_quant":"152.0329","ri":"1.048","ri_type":"","pubchem_id":"1188","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"XANTHOSINE (CAS# 146-80-5); (M+H)+","moverz_quant":"284.0767","ri":"2.322","ri_type":"","pubchem_id":"64959","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"XANTHOSINE (CAS# 146-80-5); (M+NA)+","moverz_quant":"284.0758","ri":"2.323","ri_type":"","pubchem_id":"64959","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"XANTHURENIC ACID (CAS# 59-00-7); (M+H)+","moverz_quant":"205.0382","ri":"4.605","ri_type":"","pubchem_id":"5699","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"XYLOSE (CAS# 58-86-6); (2M+NA)+[-H2O]","moverz_quant":"150.0533","ri":"2.524","ri_type":"","pubchem_id":"135191","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+","moverz_quant":"219.1124","ri":"3.936","ri_type":"","pubchem_id":"449093","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""}]
}

}