{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000743","ANALYSIS_ID":"AN001159","VERSION":"1","CREATED_ON":"July 3, 2017, 2:03 pm"},

"PROJECT":{"PROJECT_TITLE":"Callaghan Bariatric plasma baseline","PROJECT_TYPE":"MS analysis","PROJECT_SUMMARY":"Obesity study with intervention","INSTITUTE":"University of Michigan","DEPARTMENT":"Neurology","LABORATORY":"Feldman Lab","LAST_NAME":"Feldman","FIRST_NAME":"Eva","ADDRESS":"Ann Arbor, MI","EMAIL":"efeldman@umich.edu","PHONE":"734-763-7274"},

"STUDY":{"STUDY_TITLE":"Metabolomics of bariatric weight loss","STUDY_TYPE":"MS analysis","STUDY_SUMMARY":"Human patients were enrolled in a bariatric weight loss clinic and followed. Patients were male and female, normoglycemic,pre-diabetic and diabetic and with and without neuropathy. One 500 ul aliquot will be submitted for both untargeted metabolomics and shotgun lipidomics.","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":"3"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"SU0016133",
"Sample ID":"S00025568",
"Factors":{"Gender":"female","Glycemic status":"diabetic","Neuropathy":"Neuropathy"}
},
{
"Subject ID":"SU0016134",
"Sample ID":"S00025569",
"Factors":{"Gender":"male","Glycemic status":"pre-diabetic","Neuropathy":"no neuropathy"}
},
{
"Subject ID":"SU0016135",
"Sample ID":"S00025570",
"Factors":{"Gender":"female","Glycemic status":"normoglycemic","Neuropathy":"Neuropathy"}
},
{
"Subject ID":"SU0016133",
"Sample ID":"S00025571",
"Factors":{"Gender":"female","Glycemic status":"diabetic","Neuropathy":"no neuropathy"}
},
{
"Subject ID":"SU0016134",
"Sample ID":"S00025572",
"Factors":{"Gender":"male","Glycemic status":"pre-diabetic","Neuropathy":"Neuropathy"}
},
{
"Subject ID":"SU0016133",
"Sample ID":"S00025573",
"Factors":{"Gender":"female","Glycemic status":"diabetic","Neuropathy":"no neuropathy"}
},
{
"Subject ID":"SU0016133",
"Sample ID":"S00025574",
"Factors":{"Gender":"female","Glycemic status":"diabetic","Neuropathy":"no neuropathy"}
},
{
"Subject ID":"SU0016133",
"Sample ID":"S00025575",
"Factors":{"Gender":"male","Glycemic status":"diabetic","Neuropathy":"Neuropathy"}
},
{
"Subject ID":"SU0016133",
"Sample ID":"S00025576",
"Factors":{"Gender":"male","Glycemic status":"diabetic","Neuropathy":"no neuropathy"}
},
{
"Subject ID":"SU0016133",
"Sample ID":"S00025577",
"Factors":{"Gender":"female","Glycemic status":"diabetic","Neuropathy":"Neuropathy"}
},
{
"Subject ID":"SU0016133",
"Sample ID":"S00025578",
"Factors":{"Gender":"female","Glycemic status":"diabetic","Neuropathy":"Neuropathy"}
},
{
"Subject ID":"SU0016133",
"Sample ID":"S00025579",
"Factors":{"Gender":"female","Glycemic status":"diabetic","Neuropathy":"Neuropathy"}
},
{
"Subject ID":"SU0016133",
"Sample ID":"S00025580",
"Factors":{"Gender":"female","Glycemic status":"diabetic","Neuropathy":"no neuropathy"}
},
{
"Subject ID":"SU0016135",
"Sample ID":"S00025581",
"Factors":{"Gender":"female","Glycemic status":"normoglycemic","Neuropathy":"no neuropathy"}
}
],
"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 normalized",

"Data":[{"Metabolite":"1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID (M+H)+","S00025568":"31658","S00025569":"47551","S00025570":"13187","S00025571":"11936","S00025572":"37163","S00025573":"50586","S00025574":"13203","S00025575":"8975","S00025576":"46115","S00025577":"54751","S00025578":"","S00025579":"49613","S00025580":"41518","S00025581":"42503"},{"Metabolite":"1-METHYLADENOSINE (M+H)+","S00025568":"30931","S00025569":"28830","S00025570":"34643","S00025571":"31657","S00025572":"30835","S00025573":"34843","S00025574":"23584","S00025575":"28590","S00025576":"28545","S00025577":"22942","S00025578":"6416","S00025579":"","S00025580":"21964","S00025581":"20901"},{"Metabolite":"1-METHYLXANTHINE (M+H)+","S00025568":"3464957","S00025569":"4546640","S00025570":"4152564","S00025571":"4211652","S00025572":"4478549","S00025573":"4550528","S00025574":"3732938","S00025575":"4146653","S00025576":"4255361","S00025577":"3234430","S00025578":"3305499","S00025579":"4067068","S00025580":"3774155","S00025581":"3437054"},{"Metabolite":"16:0 LYSO PC (M+H)+","S00025568":"36600000","S00025569":"34900000","S00025570":"36100000","S00025571":"55700000","S00025572":"59400000","S00025573":"44800000","S00025574":"48200000","S00025575":"31600000","S00025576":"29700000","S00025577":"27800000","S00025578":"27600000","S00025579":"29200000","S00025580":"25700000","S00025581":"23200000"},{"Metabolite":"16:0 LYSO PC (M+NA)+","S00025568":"1641508","S00025569":"1557934","S00025570":"1035649","S00025571":"747364","S00025572":"1596924","S00025573":"1439789","S00025574":"1582576","S00025575":"1671843","S00025576":"2365007","S00025577":"3349260","S00025578":"3425617","S00025579":"2502091","S00025580":"2996292","S00025581":"2925530"},{"Metabolite":"16:0-18:0 PC (M+H)+","S00025568":"1680789","S00025569":"2089065","S00025570":"4123635","S00025571":"","S00025572":"","S00025573":"","S00025574":"8741304","S00025575":"1380514","S00025576":"1043585","S00025577":"917613","S00025578":"610056","S00025579":"875327","S00025580":"541356","S00025581":"645683"},{"Metabolite":"18:0 LYSO-PE (M+H)+","S00025568":"206415","S00025569":"123892","S00025570":"185469","S00025571":"432640","S00025572":"214047","S00025573":"325244","S00025574":"359391","S00025575":"186536","S00025576":"231488","S00025577":"280705","S00025578":"220467","S00025579":"256377","S00025580":"237459","S00025581":"210950"},{"Metabolite":"2-HYDROXY-3-METHYLBUTYRIC ACID (M+NA)+","S00025568":"43549","S00025569":"21788","S00025570":"41624","S00025571":"48294","S00025572":"29904","S00025573":"16328","S00025574":"","S00025575":"20001","S00025576":"73858","S00025577":"20062","S00025578":"","S00025579":"34147","S00025580":"33878","S00025581":"20910"},{"Metabolite":"24:0 SM (D18:1/24:0) (M+NA)+","S00025568":"","S00025569":"","S00025570":"","S00025571":"","S00025572":"","S00025573":"","S00025574":"","S00025575":"","S00025576":"","S00025577":"","S00025578":"","S00025579":"","S00025580":"","S00025581":"108128"},{"Metabolite":"25-HYDROXYCHOLESTEROL (M+H)+[-H2O]","S00025568":"29891","S00025569":"10285","S00025570":"124788","S00025571":"","S00025572":"","S00025573":"","S00025574":"2891","S00025575":"13773","S00025576":"6498","S00025577":"11051","S00025578":"","S00025579":"7580","S00025580":"10585","S00025581":"15350"},{"Metabolite":"3-(4-HYDROXYPHENYL)LACTIC ACID (M+NA)+","S00025568":"22456","S00025569":"46732","S00025570":"45950","S00025571":"17630","S00025572":"36393","S00025573":"70951","S00025574":"20131","S00025575":"57670","S00025576":"59597","S00025577":"73371","S00025578":"15313","S00025579":"17658","S00025580":"21731","S00025581":"32758"},{"Metabolite":"3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]","S00025568":"110173","S00025569":"65948","S00025570":"29087","S00025571":"16149","S00025572":"170037","S00025573":"53763","S00025574":"151122","S00025575":"214360","S00025576":"1152721","S00025577":"92573","S00025578":"147426","S00025579":"146821","S00025580":"42937","S00025581":"21585"},{"Metabolite":"3-HYDROXYLAUROYLCARNITINE (*) (M+H)+","S00025568":"12251","S00025569":"11485","S00025570":"15592","S00025571":"14860","S00025572":"15402","S00025573":"7066","S00025574":"45168","S00025575":"18383","S00025576":"","S00025577":"13746","S00025578":"104767","S00025579":"19683","S00025580":"28871","S00025581":"4911"},{"Metabolite":"3-METHOXYTYROSINE (M+H)+","S00025568":"48350","S00025569":"24606","S00025570":"59783","S00025571":"23744","S00025572":"37364","S00025573":"48216","S00025574":"","S00025575":"15453","S00025576":"34469","S00025577":"17230","S00025578":"30377","S00025579":"","S00025580":"44691","S00025581":"44579"},{"Metabolite":"3-METHYLXANTHINE (M+H)+","S00025568":"30800000","S00025569":"40000000","S00025570":"36500000","S00025571":"36700000","S00025572":"38400000","S00025573":"39500000","S00025574":"32400000","S00025575":"36100000","S00025576":"36600000","S00025577":"28700000","S00025578":"29400000","S00025579":"35800000","S00025580":"33900000","S00025581":"31100000"},{"Metabolite":"4-ACETAMINOPHEN SULFATE (M+H)+","S00025568":"","S00025569":"","S00025570":"","S00025571":"","S00025572":"","S00025573":"","S00025574":"","S00025575":"","S00025576":"","S00025577":"","S00025578":"72927","S00025579":"","S00025580":"","S00025581":""},{"Metabolite":"4-HYDROXYPHENYLACETIC ACID (M+H)+","S00025568":"39766","S00025569":"","S00025570":"58202","S00025571":"24605","S00025572":"","S00025573":"","S00025574":"24634","S00025575":"11698","S00025576":"26467","S00025577":"30230","S00025578":"40700","S00025579":"","S00025580":"29659","S00025581":""},{"Metabolite":"5'-METHYLTHIOADENOSINE (M+H)+","S00025568":"68631","S00025569":"79128","S00025570":"64456","S00025571":"87015","S00025572":"64187","S00025573":"68039","S00025574":"57447","S00025575":"64426","S00025576":"58470","S00025577":"47411","S00025578":"17822","S00025579":"67855","S00025580":"51618","S00025581":"41415"},{"Metabolite":"ACETAMINOPHEN (TN TYLENOL) (M+H)+","S00025568":"130749","S00025569":"","S00025570":"","S00025571":"","S00025572":"","S00025573":"","S00025574":"","S00025575":"","S00025576":"6970","S00025577":"","S00025578":"6875991","S00025579":"19703","S00025580":"","S00025581":""},{"Metabolite":"ACETAMINOPHEN (TN TYLENOL) (M+NA)+","S00025568":"82028","S00025569":"10234","S00025570":"","S00025571":"15627","S00025572":"9127","S00025573":"10203","S00025574":"10992","S00025575":"","S00025576":"","S00025577":"","S00025578":"3653644","S00025579":"13274","S00025580":"","S00025581":"9755"},{"Metabolite":"ACETYLCARNITINE (M+H)+","S00025568":"325725","S00025569":"448994","S00025570":"418741","S00025571":"422467","S00025572":"562196","S00025573":"156018","S00025574":"3588587","S00025575":"1482642","S00025576":"374543","S00025577":"554799","S00025578":"11100000","S00025579":"712767","S00025580":"2490675","S00025581":"266977"},{"Metabolite":"ADENOSINE 5'-MONOPHOSPHATE (M+H)+","S00025568":"19303","S00025569":"16965","S00025570":"19674","S00025571":"18299","S00025572":"6072","S00025573":"","S00025574":"20415","S00025575":"9139","S00025576":"13084","S00025577":"18344","S00025578":"4890","S00025579":"24682","S00025580":"14880","S00025581":"36430"},{"Metabolite":"ADIPIC ACID (M+H)+","S00025568":"24487","S00025569":"27997","S00025570":"30525","S00025571":"","S00025572":"33676","S00025573":"42721","S00025574":"56338","S00025575":"196448","S00025576":"","S00025577":"","S00025578":"673914","S00025579":"144237","S00025580":"96339","S00025581":"48803"},{"Metabolite":"ADIPIC ACID (M+NA)+","S00025568":"42106","S00025569":"13463","S00025570":"25374","S00025571":"19677","S00025572":"11191","S00025573":"47808","S00025574":"53060","S00025575":"16385","S00025576":"31411","S00025577":"19645","S00025578":"42811","S00025579":"32763","S00025580":"","S00025581":"33830"},{"Metabolite":"ALPHA-LINOLENIC ACID (M+NA)+","S00025568":"153794","S00025569":"112686","S00025570":"279516","S00025571":"110733","S00025572":"92928","S00025573":"48086","S00025574":"123931","S00025575":"152840","S00025576":"56705","S00025577":"227050","S00025578":"314373","S00025579":"99254","S00025580":"237700","S00025581":"202467"},{"Metabolite":"ALPHA-TOCOPHEROL (M+H)+","S00025568":"65865","S00025569":"74570","S00025570":"99666","S00025571":"122369","S00025572":"52713","S00025573":"63229","S00025574":"54960","S00025575":"80747","S00025576":"51513","S00025577":"130177","S00025578":"80883","S00025579":"39386","S00025580":"110501","S00025581":"78992"},{"Metabolite":"ASPARAGINE (M+H)+","S00025568":"7701","S00025569":"2549","S00025570":"27671","S00025571":"65911","S00025572":"26994","S00025573":"33094","S00025574":"20678","S00025575":"16951","S00025576":"8780","S00025577":"2059","S00025578":"10226","S00025579":"9171","S00025580":"","S00025581":"12307"},{"Metabolite":"BILIVERDIN (M+H)+","S00025568":"1552","S00025569":"3789","S00025570":"6223","S00025571":"5146","S00025572":"4269","S00025573":"7126","S00025574":"3264","S00025575":"3501","S00025576":"","S00025577":"","S00025578":"6192","S00025579":"","S00025580":"5241","S00025581":"1670"},{"Metabolite":"BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+","S00025568":"157578","S00025569":"128641","S00025570":"312197","S00025571":"2328699","S00025572":"","S00025573":"","S00025574":"210289","S00025575":"93637","S00025576":"53061","S00025577":"78909","S00025578":"72935","S00025579":"51529","S00025580":"75967","S00025581":"124925"},{"Metabolite":"BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+","S00025568":"1450044","S00025569":"857804","S00025570":"2379208","S00025571":"9091500","S00025572":"","S00025573":"144000000","S00025574":"2302532","S00025575":"1307624","S00025576":"757048","S00025577":"1267486","S00025578":"814980","S00025579":"575585","S00025580":"852797","S00025581":"1253286"},{"Metabolite":"BUTYRYLCARNITINE (*) (M+H)+","S00025568":"19750","S00025569":"187254","S00025570":"55227","S00025571":"92951","S00025572":"104825","S00025573":"70766","S00025574":"164438","S00025575":"98083","S00025576":"88354","S00025577":"64824","S00025578":"165846","S00025579":"148544","S00025580":"","S00025581":"122997"},{"Metabolite":"C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+NA)+","S00025568":"270155","S00025569":"653679","S00025570":"","S00025571":"","S00025572":"","S00025573":"","S00025574":"","S00025575":"570145","S00025576":"120794","S00025577":"297113","S00025578":"497533","S00025579":"322239","S00025580":"130466","S00025581":"269860"},{"Metabolite":"CAFFEINE (M+H)+","S00025568":"2524314","S00025569":"634240","S00025570":"1105448","S00025571":"104897","S00025572":"125027","S00025573":"276367","S00025574":"1709525","S00025575":"2746033","S00025576":"8484092","S00025577":"8647400","S00025578":"2656248","S00025579":"4190574","S00025580":"5827904","S00025581":"4051323"},{"Metabolite":"CAFFEINE (M+NA)+","S00025568":"55197","S00025569":"14688","S00025570":"30833","S00025571":"2644","S00025572":"","S00025573":"7413","S00025574":"38628","S00025575":"62130","S00025576":"153218","S00025577":"175178","S00025578":"52812","S00025579":"86172","S00025580":"106785","S00025581":"83319"},{"Metabolite":"CALCIDIOL (M+H)+[-H2O]","S00025568":"23915","S00025569":"13120","S00025570":"","S00025571":"16494","S00025572":"20578","S00025573":"","S00025574":"71456","S00025575":"9544","S00025576":"44049","S00025577":"45992","S00025578":"40725","S00025579":"80824","S00025580":"58603","S00025581":"15405"},{"Metabolite":"CARNITINE (M+H)+","S00025568":"196179","S00025569":"316838","S00025570":"51294","S00025571":"205947","S00025572":"1783973","S00025573":"143957","S00025574":"","S00025575":"","S00025576":"","S00025577":"","S00025578":"","S00025579":"","S00025580":"","S00025581":"3293832"},{"Metabolite":"CARNOSINE (M+NA)+","S00025568":"2989","S00025569":"2277","S00025570":"2051","S00025571":"3622","S00025572":"3124","S00025573":"","S00025574":"4771","S00025575":"5536","S00025576":"443","S00025577":"","S00025578":"8783","S00025579":"1575","S00025580":"5756","S00025581":"2930"},{"Metabolite":"CHOLESTEROL (M+H)+[-H2O]","S00025568":"51228","S00025569":"47805","S00025570":"153826","S00025571":"26785","S00025572":"28494","S00025573":"71270","S00025574":"18534","S00025575":"36230","S00025576":"146935","S00025577":"54627","S00025578":"76575","S00025579":"56663","S00025580":"89853","S00025581":"128522"},{"Metabolite":"CHOLINE PHOSPHATE (M+H)+","S00025568":"63517","S00025569":"43978","S00025570":"42957","S00025571":"180322","S00025572":"47996","S00025573":"172679","S00025574":"10063","S00025575":"40892","S00025576":"42626","S00025577":"17159","S00025578":"","S00025579":"61051","S00025580":"40498","S00025581":"39249"},{"Metabolite":"CITRIC ACID (M+NA)+","S00025568":"356688","S00025569":"238150","S00025570":"348487","S00025571":"297421","S00025572":"230304","S00025573":"25446","S00025574":"199896","S00025575":"222872","S00025576":"504876","S00025577":"379562","S00025578":"305056","S00025579":"448561","S00025580":"529984","S00025581":"281310"},{"Metabolite":"CORTISOL 21-ACETIC ACID (M+NA)+","S00025568":"","S00025569":"","S00025570":"","S00025571":"","S00025572":"211699","S00025573":"","S00025574":"","S00025575":"","S00025576":"","S00025577":"","S00025578":"","S00025579":"","S00025580":"","S00025581":""},{"Metabolite":"CREATINE (M+H)+","S00025568":"411846","S00025569":"","S00025570":"","S00025571":"","S00025572":"","S00025573":"","S00025574":"","S00025575":"","S00025576":"","S00025577":"","S00025578":"","S00025579":"","S00025580":"390652","S00025581":"240561"},{"Metabolite":"CREATININE (M+H)+","S00025568":"113999","S00025569":"51099","S00025570":"","S00025571":"","S00025572":"","S00025573":"","S00025574":"","S00025575":"","S00025576":"","S00025577":"","S00025578":"","S00025579":"","S00025580":"","S00025581":"390621"},{"Metabolite":"CYSTATHIONINE (M+H)+","S00025568":"21789","S00025569":"14194","S00025570":"12696","S00025571":"25368","S00025572":"14470","S00025573":"27205","S00025574":"6728","S00025575":"19753","S00025576":"27815","S00025577":"12371","S00025578":"3418","S00025579":"20872","S00025580":"13518","S00025581":"15075"},{"Metabolite":"CYSTEIC ACID (M+H)+","S00025568":"7213","S00025569":"","S00025570":"10271","S00025571":"24978","S00025572":"","S00025573":"","S00025574":"5098","S00025575":"13840","S00025576":"15067","S00025577":"","S00025578":"9076","S00025579":"12846","S00025580":"10809","S00025581":"12294"},{"Metabolite":"CYTIDINE 5'-DIPHOSPHOCHOLINE (M+K)+","S00025568":"2617","S00025569":"1976","S00025570":"1562","S00025571":"3645","S00025572":"1702","S00025573":"","S00025574":"","S00025575":"1770","S00025576":"1314","S00025577":"1383","S00025578":"","S00025579":"1968","S00025580":"1012","S00025581":"1438"},{"Metabolite":"DECANOYLCARNITINE (*) (M+H)+","S00025568":"1662543","S00025569":"835213","S00025570":"3228070","S00025571":"1270712","S00025572":"2142644","S00025573":"989545","S00025574":"1945530","S00025575":"1845137","S00025576":"1061595","S00025577":"1468450","S00025578":"2645792","S00025579":"1647527","S00025580":"1327454","S00025581":"427544"},{"Metabolite":"DECENOYLCARNITINE (*) (M+H)+","S00025568":"881936","S00025569":"376871","S00025570":"885629","S00025571":"482917","S00025572":"936819","S00025573":"380082","S00025574":"782040","S00025575":"557149","S00025576":"673210","S00025577":"475050","S00025578":"870488","S00025579":"932021","S00025580":"497150","S00025581":"196665"},{"Metabolite":"DEOXYURIDINE (M+NA)+","S00025568":"","S00025569":"4618","S00025570":"2458","S00025571":"","S00025572":"2392","S00025573":"18074","S00025574":"2067","S00025575":"","S00025576":"3900","S00025577":"","S00025578":"","S00025579":"","S00025580":"","S00025581":"2730"},{"Metabolite":"DEPHOSPHO-COA (M+H)+","S00025568":"8792","S00025569":"16062","S00025570":"12964","S00025571":"14592","S00025572":"15949","S00025573":"19947","S00025574":"","S00025575":"11522","S00025576":"8920","S00025577":"12382","S00025578":"","S00025579":"12714","S00025580":"12454","S00025581":"13953"},{"Metabolite":"DESLORATADINE (M+H)+","S00025568":"","S00025569":"","S00025570":"","S00025571":"","S00025572":"","S00025573":"","S00025574":"","S00025575":"2349","S00025576":"","S00025577":"","S00025578":"","S00025579":"93219","S00025580":"","S00025581":""},{"Metabolite":"DESMOSTEROL (M+H)+[-H2O]","S00025568":"2295","S00025569":"6028","S00025570":"1667","S00025571":"2038","S00025572":"3095","S00025573":"","S00025574":"","S00025575":"10900","S00025576":"28460","S00025577":"16304","S00025578":"6360","S00025579":"12252","S00025580":"10269","S00025581":"12117"},{"Metabolite":"DODECENOYLCARNITINE (*) II M+","S00025568":"70766","S00025569":"103175","S00025570":"141153","S00025571":"92230","S00025572":"90145","S00025573":"138898","S00025574":"266007","S00025575":"64329","S00025576":"74078","S00025577":"64998","S00025578":"681694","S00025579":"150236","S00025580":"140238","S00025581":"74502"},{"Metabolite":"DODECENOYLCARNITINE (*) M+","S00025568":"66888","S00025569":"92202","S00025570":"253945","S00025571":"54698","S00025572":"69418","S00025573":"54389","S00025574":"57700","S00025575":"46422","S00025576":"72447","S00025577":"42195","S00025578":"130908","S00025579":"52608","S00025580":"76925","S00025581":"19749"},{"Metabolite":"EICOSADIENOYLCARNITINE (*) (M+H)+","S00025568":"462417","S00025569":"","S00025570":"","S00025571":"","S00025572":"","S00025573":"","S00025574":"","S00025575":"","S00025576":"352915","S00025577":"84060","S00025578":"116935","S00025579":"94933","S00025580":"81050","S00025581":"27933"},{"Metabolite":"EICOSANOYLCARNITINE (*) (M+H)+","S00025568":"267602","S00025569":"","S00025570":"","S00025571":"","S00025572":"","S00025573":"","S00025574":"","S00025575":"","S00025576":"266400","S00025577":"78823","S00025578":"60806","S00025579":"71331","S00025580":"26990","S00025581":"25530"},{"Metabolite":"EICOSENOYLCARNITINE (*) (M+H)+","S00025568":"1202177","S00025569":"","S00025570":"","S00025571":"","S00025572":"","S00025573":"","S00025574":"","S00025575":"","S00025576":"","S00025577":"","S00025578":"8345008","S00025579":"","S00025580":"256551","S00025581":"46151"},{"Metabolite":"ELAIDIC ACID (M+H)+","S00025568":"173420","S00025569":"113609","S00025570":"235361","S00025571":"189726","S00025572":"140265","S00025573":"113597","S00025574":"149688","S00025575":"154377","S00025576":"107797","S00025577":"158663","S00025578":"231227","S00025579":"126868","S00025580":"181561","S00025581":"108163"},{"Metabolite":"EPIBRASSINOLIDE [ISTD] (M+H)+","S00025568":"3146915","S00025569":"3406004","S00025570":"3270674","S00025571":"3258668","S00025572":"3412951","S00025573":"3229875","S00025574":"3357472","S00025575":"3225379","S00025576":"3269548","S00025577":"3137029","S00025578":"3216304","S00025579":"3788002","S00025580":"3186679","S00025581":"3036784"},{"Metabolite":"EPIBRASSINOLIDE [ISTD] (M+NA)+","S00025568":"2325597","S00025569":"2469090","S00025570":"2450254","S00025571":"2336604","S00025572":"2384248","S00025573":"1963685","S00025574":"2423548","S00025575":"2330511","S00025576":"2252505","S00025577":"2262212","S00025578":"2368356","S00025579":"2548372","S00025580":"2333922","S00025581":"2353743"},{"Metabolite":"GALACTURONIC ACID (M+NA)+[-H2O]","S00025568":"4582","S00025569":"10267","S00025570":"","S00025571":"12449","S00025572":"21698","S00025573":"","S00025574":"","S00025575":"37887","S00025576":"","S00025577":"19668","S00025578":"","S00025579":"12448","S00025580":"","S00025581":"10048"},{"Metabolite":"GLUCOSE (2M+NA)+","S00025568":"","S00025569":"","S00025570":"7486","S00025571":"2694","S00025572":"","S00025573":"40770","S00025574":"","S00025575":"","S00025576":"","S00025577":"","S00025578":"4327","S00025579":"6935","S00025580":"","S00025581":""},{"Metabolite":"GLUCOSE (M+NA)+","S00025568":"199533","S00025569":"72090","S00025570":"54510","S00025571":"186509","S00025572":"48138","S00025573":"380529","S00025574":"9893","S00025575":"","S00025576":"45729","S00025577":"78262","S00025578":"8875","S00025579":"160377","S00025580":"","S00025581":"86457"},{"Metabolite":"GLYCEROL MYRISTATE (M+NA)+","S00025568":"9728","S00025569":"15033","S00025570":"23659","S00025571":"19131","S00025572":"23761","S00025573":"","S00025574":"","S00025575":"26719","S00025576":"","S00025577":"23724","S00025578":"16349","S00025579":"","S00025580":"15479","S00025581":"28822"},{"Metabolite":"GLYCOCHENODEOXYCHOLIC ACID (M+H)+","S00025568":"19165","S00025569":"13617","S00025570":"51645","S00025571":"8745","S00025572":"19602","S00025573":"41879","S00025574":"11493","S00025575":"2368","S00025576":"13220","S00025577":"","S00025578":"","S00025579":"27182","S00025580":"22957","S00025581":"35614"},{"Metabolite":"GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O]","S00025568":"254575","S00025569":"161246","S00025570":"529453","S00025571":"73945","S00025572":"199981","S00025573":"523724","S00025574":"117529","S00025575":"86574","S00025576":"364737","S00025577":"61643","S00025578":"33665","S00025579":"638545","S00025580":"523262","S00025581":"704490"},{"Metabolite":"GLYCOCHENODEOXYCHOLIC ACID (M+NA)+","S00025568":"139516","S00025569":"92538","S00025570":"306654","S00025571":"40258","S00025572":"105807","S00025573":"217159","S00025574":"61141","S00025575":"47147","S00025576":"207177","S00025577":"35467","S00025578":"21310","S00025579":"444678","S00025580":"335311","S00025581":"491764"},{"Metabolite":"GLYCOCHOLIC ACID (M+H)+[-H2O]","S00025568":"29315","S00025569":"","S00025570":"","S00025571":"","S00025572":"19608","S00025573":"24943","S00025574":"16987","S00025575":"44939","S00025576":"62163","S00025577":"36146","S00025578":"31805","S00025579":"134235","S00025580":"54081","S00025581":"58870"},{"Metabolite":"GUANINE (M+H)+","S00025568":"19980","S00025569":"28704","S00025570":"24088","S00025571":"","S00025572":"15659","S00025573":"19037","S00025574":"12682","S00025575":"16575","S00025576":"19245","S00025577":"22182","S00025578":"57795","S00025579":"80064","S00025580":"23709","S00025581":"21157"},{"Metabolite":"HEXANOYLCARNITINE (*) M+","S00025568":"265678","S00025569":"181949","S00025570":"371656","S00025571":"214216","S00025572":"280674","S00025573":"188906","S00025574":"376318","S00025575":"303546","S00025576":"183679","S00025577":"202220","S00025578":"469031","S00025579":"294559","S00025580":"299218","S00025581":"161269"},{"Metabolite":"HIPPURIC ACID (M+H)+","S00025568":"398901","S00025569":"248536","S00025570":"107828","S00025571":"55799","S00025572":"638433","S00025573":"195978","S00025574":"534751","S00025575":"777449","S00025576":"4393474","S00025577":"328414","S00025578":"534169","S00025579":"522599","S00025580":"157381","S00025581":""},{"Metabolite":"HIPPURIC ACID (M+NA)+","S00025568":"729870","S00025569":"472091","S00025570":"191598","S00025571":"","S00025572":"1221961","S00025573":"","S00025574":"982261","S00025575":"1445957","S00025576":"7172998","S00025577":"582297","S00025578":"978479","S00025579":"977818","S00025580":"283970","S00025581":""},{"Metabolite":"HOMOGENTISIC ACID (M+H)+","S00025568":"246057","S00025569":"208649","S00025570":"451187","S00025571":"391435","S00025572":"137499","S00025573":"632938","S00025574":"","S00025575":"528474","S00025576":"162815","S00025577":"545559","S00025578":"163664","S00025579":"245108","S00025580":"833996","S00025581":"433594"},{"Metabolite":"HOMOVANILLIC ACID (M+H)+","S00025568":"","S00025569":"","S00025570":"95659","S00025571":"","S00025572":"","S00025573":"","S00025574":"","S00025575":"","S00025576":"8991","S00025577":"1857","S00025578":"1718","S00025579":"2777","S00025580":"","S00025581":"6853"},{"Metabolite":"HYPOXANTHINE (M+H)+","S00025568":"151887","S00025569":"106785","S00025570":"298014","S00025571":"152309","S00025572":"395693","S00025573":"1125725","S00025574":"184234","S00025575":"133103","S00025576":"189530","S00025577":"202754","S00025578":"128508","S00025579":"240252","S00025580":"240290","S00025581":"299266"},{"Metabolite":"IBUPROFEN (M+NA)+","S00025568":"26681","S00025569":"","S00025570":"37586","S00025571":"","S00025572":"62003","S00025573":"","S00025574":"17658","S00025575":"632562","S00025576":"372955","S00025577":"276880","S00025578":"11691","S00025579":"","S00025580":"25417","S00025581":"2229"},{"Metabolite":"INDOLE-3-ACETALDEHYDE (M+H)+","S00025568":"64319","S00025569":"340544","S00025570":"9644","S00025571":"40066","S00025572":"94212","S00025573":"16267","S00025574":"101810","S00025575":"106457","S00025576":"10621","S00025577":"11280","S00025578":"","S00025579":"66983","S00025580":"283114","S00025581":"194576"},{"Metabolite":"INDOLE-3-ACETIC ACID (M+H)+","S00025568":"","S00025569":"302078","S00025570":"","S00025571":"424012","S00025572":"379552","S00025573":"241508","S00025574":"265721","S00025575":"801897","S00025576":"","S00025577":"427590","S00025578":"","S00025579":"","S00025580":"428083","S00025581":"340017"},{"Metabolite":"INDOLE-3-ACETIC ACID (M+NA)+","S00025568":"117229","S00025569":"261139","S00025570":"151115","S00025571":"377882","S00025572":"332887","S00025573":"192435","S00025574":"230857","S00025575":"659569","S00025576":"206841","S00025577":"364623","S00025578":"187219","S00025579":"237513","S00025580":"356092","S00025581":"294080"},{"Metabolite":"INOSINE (M+H)+","S00025568":"","S00025569":"","S00025570":"","S00025571":"","S00025572":"","S00025573":"60603","S00025574":"","S00025575":"","S00025576":"","S00025577":"","S00025578":"","S00025579":"","S00025580":"","S00025581":"334"},{"Metabolite":"INOSINE (M+NA)+","S00025568":"","S00025569":"1177","S00025570":"3660","S00025571":"2928","S00025572":"","S00025573":"550087","S00025574":"","S00025575":"","S00025576":"","S00025577":"","S00025578":"","S00025579":"","S00025580":"","S00025581":""},{"Metabolite":"ISO-BUTYRYLCARNITINE (*) (M+H)+","S00025568":"38167","S00025569":"324438","S00025570":"176986","S00025571":"277540","S00025572":"268145","S00025573":"238824","S00025574":"708181","S00025575":"296320","S00025576":"159171","S00025577":"99894","S00025578":"362998","S00025579":"299761","S00025580":"656028","S00025581":"185397"},{"Metabolite":"ISOLEUCINE (M+H)+","S00025568":"33100000","S00025569":"69800000","S00025570":"38400000","S00025571":"38900000","S00025572":"71400000","S00025573":"37500000","S00025574":"52100000","S00025575":"36800000","S00025576":"45000000","S00025577":"56600000","S00025578":"36400000","S00025579":"43100000","S00025580":"37900000","S00025581":"35000000"},{"Metabolite":"ISOVALERYLCARNITINE (*) (M+H)+","S00025568":"118742","S00025569":"1025867","S00025570":"360479","S00025571":"503975","S00025572":"1190670","S00025573":"438417","S00025574":"1048781","S00025575":"710980","S00025576":"401561","S00025577":"289171","S00025578":"2398470","S00025579":"1057900","S00025580":"356180","S00025581":"301030"},{"Metabolite":"KYNURENIC ACID (M+H)+","S00025568":"39117","S00025569":"69548","S00025570":"91362","S00025571":"55712","S00025572":"143089","S00025573":"59895","S00025574":"44946","S00025575":"97725","S00025576":"80041","S00025577":"25834","S00025578":"59300","S00025579":"90563","S00025580":"100152","S00025581":"32964"},{"Metabolite":"KYNURENINE (M+H)+","S00025568":"1154630","S00025569":"1465364","S00025570":"1170668","S00025571":"1005505","S00025572":"1204783","S00025573":"1103144","S00025574":"1287774","S00025575":"1477336","S00025576":"972379","S00025577":"993397","S00025578":"963940","S00025579":"1023696","S00025580":"1135962","S00025581":"1003856"},{"Metabolite":"KYNURENINE (M+NA)+","S00025568":"39864","S00025569":"41322","S00025570":"30205","S00025571":"25524","S00025572":"31474","S00025573":"23911","S00025574":"41314","S00025575":"43594","S00025576":"29326","S00025577":"24610","S00025578":"8311","S00025579":"33825","S00025580":"29814","S00025581":"32096"},{"Metabolite":"L-HISTIDINE (M+H)+","S00025568":"2905","S00025569":"2239","S00025570":"664","S00025571":"1288","S00025572":"2483","S00025573":"2277","S00025574":"","S00025575":"","S00025576":"","S00025577":"","S00025578":"","S00025579":"580","S00025580":"","S00025581":"1521"},{"Metabolite":"L-TRYPTOPHAN-15N2 [ISTD] (M+H)+","S00025568":"5087835","S00025569":"5059421","S00025570":"5176479","S00025571":"5053991","S00025572":"4757680","S00025573":"4812414","S00025574":"5049338","S00025575":"4999201","S00025576":"5481639","S00025577":"5007297","S00025578":"5183885","S00025579":"5868946","S00025580":"5188731","S00025581":"5124829"},{"Metabolite":"LAUROYLCARNITINE (M+H)+","S00025568":"427945","S00025569":"553566","S00025570":"941995","S00025571":"606475","S00025572":"589656","S00025573":"408862","S00025574":"679315","S00025575":"477419","S00025576":"345861","S00025577":"506014","S00025578":"1163079","S00025579":"505839","S00025580":"599549","S00025581":"225150"},{"Metabolite":"LEUKOTRIENE B4 (M+H)+","S00025568":"6192","S00025569":"2775","S00025570":"6280","S00025571":"2073","S00025572":"4676","S00025573":"","S00025574":"5090","S00025575":"6232","S00025576":"2787","S00025577":"6005","S00025578":"5181","S00025579":"10516","S00025580":"6293","S00025581":"2949"},{"Metabolite":"LINOLEOYLCARNITINE (*) (M+H)+","S00025568":"1535701","S00025569":"1000229","S00025570":"3582216","S00025571":"","S00025572":"","S00025573":"","S00025574":"51200000","S00025575":"3343683","S00025576":"3734759","S00025577":"1052410","S00025578":"1812813","S00025579":"1977796","S00025580":"1481431","S00025581":"13957"},{"Metabolite":"LYSINE (M+H)+","S00025568":"42563","S00025569":"51151","S00025570":"45494","S00025571":"47363","S00025572":"53433","S00025573":"96592","S00025574":"58179","S00025575":"32803","S00025576":"48850","S00025577":"44347","S00025578":"45245","S00025579":"44761","S00025580":"46680","S00025581":"40762"},{"Metabolite":"LYSINE (M+NA)+","S00025568":"14163","S00025569":"17874","S00025570":"14621","S00025571":"17122","S00025572":"19442","S00025573":"29464","S00025574":"18230","S00025575":"10068","S00025576":"16017","S00025577":"10930","S00025578":"7775","S00025579":"13689","S00025580":"13387","S00025581":"11865"},{"Metabolite":"METHIONINE (M+H)+","S00025568":"3177109","S00025569":"4559178","S00025570":"3982243","S00025571":"3150640","S00025572":"3483282","S00025573":"4600261","S00025574":"2590194","S00025575":"3052400","S00025576":"3278629","S00025577":"3069764","S00025578":"2172511","S00025579":"3752046","S00025580":"3162808","S00025581":"3198234"},{"Metabolite":"METHYL JASMONATE (M+NA)+","S00025568":"26919","S00025569":"41288","S00025570":"40180","S00025571":"39576","S00025572":"36647","S00025573":"18784","S00025574":"46348","S00025575":"178902","S00025576":"284759","S00025577":"","S00025578":"","S00025579":"700867","S00025580":"491259","S00025581":"205627"},{"Metabolite":"MYRISTOYLCARNITINE (*) (M+H)+","S00025568":"357055","S00025569":"417178","S00025570":"754781","S00025571":"1263197","S00025572":"1337415","S00025573":"1423981","S00025574":"1262215","S00025575":"563718","S00025576":"296198","S00025577":"506105","S00025578":"819178","S00025579":"464882","S00025580":"408276","S00025581":"171080"},{"Metabolite":"N-ACETYL-DL-SERINE (M+H)+[-H2O]","S00025568":"220607","S00025569":"179460","S00025570":"151200","S00025571":"209018","S00025572":"186043","S00025573":"220084","S00025574":"135453","S00025575":"172848","S00025576":"171089","S00025577":"100534","S00025578":"90852","S00025579":"197303","S00025580":"249638","S00025581":"147104"},{"Metabolite":"N-ACETYL-L-PHENYLALANINE (M+NA)+","S00025568":"","S00025569":"6424","S00025570":"","S00025571":"3892","S00025572":"6049","S00025573":"","S00025574":"7229","S00025575":"10428","S00025576":"","S00025577":"4595","S00025578":"3475","S00025579":"8660","S00025580":"4617","S00025581":"4072"},{"Metabolite":"N-ACETYLGLYCINE (M+NA)+","S00025568":"5182","S00025569":"2716","S00025570":"31359","S00025571":"8918","S00025572":"","S00025573":"","S00025574":"9511","S00025575":"4907","S00025576":"","S00025577":"","S00025578":"16511","S00025579":"","S00025580":"28644","S00025581":""},{"Metabolite":"N-ACETYLNEURAMINIC ACID (M+H)+","S00025568":"","S00025569":"11825","S00025570":"11953","S00025571":"9165","S00025572":"7947","S00025573":"3933","S00025574":"2092","S00025575":"2679","S00025576":"9661","S00025577":"","S00025578":"5476","S00025579":"9390","S00025580":"11281","S00025581":"6424"},{"Metabolite":"N-CYCLOHEXYLFORMAMIDE (M+H)+","S00025568":"23193","S00025569":"31667","S00025570":"20633","S00025571":"22120","S00025572":"25323","S00025573":"27653","S00025574":"28680","S00025575":"39819","S00025576":"46011","S00025577":"40601","S00025578":"39374","S00025579":"59496","S00025580":"45547","S00025581":"46232"},{"Metabolite":"NICOTINAMIDE (M+H)+","S00025568":"140259","S00025569":"159565","S00025570":"183117","S00025571":"112773","S00025572":"89482","S00025573":"","S00025574":"92329","S00025575":"109160","S00025576":"124613","S00025577":"135817","S00025578":"55224","S00025579":"57229","S00025580":"142385","S00025581":"197365"},{"Metabolite":"OCTANOYLCARNITINE (*) (M+H)+","S00025568":"987040","S00025569":"439983","S00025570":"1698680","S00025571":"614808","S00025572":"1095278","S00025573":"569844","S00025574":"1130056","S00025575":"1023960","S00025576":"559176","S00025577":"713662","S00025578":"1336503","S00025579":"1004519","S00025580":"695519","S00025581":"255357"},{"Metabolite":"OCTENOYLCARNITINE (*) M+","S00025568":"634437","S00025569":"657411","S00025570":"1126170","S00025571":"1963364","S00025572":"2309041","S00025573":"1058566","S00025574":"1131829","S00025575":"647604","S00025576":"1901816","S00025577":"884706","S00025578":"1199432","S00025579":"1903940","S00025580":"499480","S00025581":"450316"},{"Metabolite":"OLEIC ACID (M+H)+","S00025568":"48473","S00025569":"44009","S00025570":"48014","S00025571":"42174","S00025572":"40566","S00025573":"55652","S00025574":"40033","S00025575":"27096","S00025576":"35736","S00025577":"49230","S00025578":"55124","S00025579":"31266","S00025580":"47284","S00025581":"46192"},{"Metabolite":"OLEIC ACID (M+NA)+","S00025568":"44565","S00025569":"64973","S00025570":"71358","S00025571":"51193","S00025572":"40953","S00025573":"","S00025574":"36400","S00025575":"54089","S00025576":"42898","S00025577":"48483","S00025578":"60454","S00025579":"37590","S00025580":"68085","S00025581":"101232"},{"Metabolite":"OLEOYL-GLYCEROL (M+NA)+","S00025568":"487816","S00025569":"226437","S00025570":"465042","S00025571":"1544524","S00025572":"422137","S00025573":"331112","S00025574":"159953","S00025575":"239920","S00025576":"250323","S00025577":"310443","S00025578":"125496","S00025579":"220246","S00025580":"388271","S00025581":"270383"},{"Metabolite":"OLEOYLCARNITINE (*) (M+H)+","S00025568":"7028846","S00025569":"13300000","S00025570":"","S00025571":"","S00025572":"","S00025573":"","S00025574":"","S00025575":"","S00025576":"9111331","S00025577":"4530893","S00025578":"7763966","S00025579":"4612190","S00025580":"4571346","S00025581":"1114499"},{"Metabolite":"OMEPRAZOLE (M+H)+","S00025568":"","S00025569":"","S00025570":"","S00025571":"","S00025572":"","S00025573":"","S00025574":"1412982","S00025575":"27836","S00025576":"","S00025577":"","S00025578":"","S00025579":"","S00025580":"","S00025581":""},{"Metabolite":"ORNITHINE (M+H)+","S00025568":"18427","S00025569":"17635","S00025570":"11559","S00025571":"7028","S00025572":"18262","S00025573":"35745","S00025574":"10000","S00025575":"9592","S00025576":"10708","S00025577":"7938","S00025578":"7796","S00025579":"18575","S00025580":"13678","S00025581":"10558"},{"Metabolite":"P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M+H)+","S00025568":"13655","S00025569":"","S00025570":"","S00025571":"","S00025572":"","S00025573":"","S00025574":"","S00025575":"","S00025576":"","S00025577":"","S00025578":"867805","S00025579":"","S00025580":"","S00025581":""},{"Metabolite":"P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+H)+","S00025568":"11309","S00025569":"","S00025570":"","S00025571":"","S00025572":"","S00025573":"","S00025574":"","S00025575":"","S00025576":"","S00025577":"","S00025578":"514576","S00025579":"","S00025580":"","S00025581":""},{"Metabolite":"P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+NA)+","S00025568":"34427","S00025569":"","S00025570":"","S00025571":"","S00025572":"","S00025573":"","S00025574":"","S00025575":"","S00025576":"","S00025577":"","S00025578":"924801","S00025579":"","S00025580":"","S00025581":""},{"Metabolite":"PALMITOLEYLCARNITINE (*) M+","S00025568":"452201","S00025569":"364417","S00025570":"554294","S00025571":"547299","S00025572":"568632","S00025573":"603122","S00025574":"493289","S00025575":"745919","S00025576":"409759","S00025577":"382475","S00025578":"1253130","S00025579":"576555","S00025580":"909571","S00025581":"312140"},{"Metabolite":"PALMITOYLCARNITINE (M+H)+","S00025568":"3528268","S00025569":"","S00025570":"","S00025571":"","S00025572":"","S00025573":"","S00025574":"","S00025575":"","S00025576":"7925009","S00025577":"4577804","S00025578":"4370644","S00025579":"2789801","S00025580":"2195824","S00025581":"1016043"},{"Metabolite":"PANTOTHENIC ACID (M+H)+","S00025568":"256146","S00025569":"214763","S00025570":"94201","S00025571":"329219","S00025572":"182267","S00025573":"121840","S00025574":"277534","S00025575":"65136","S00025576":"56707","S00025577":"143056","S00025578":"265358","S00025579":"390612","S00025580":"278744","S00025581":"91566"},{"Metabolite":"PANTOTHENIC ACID (M+NA)+","S00025568":"76907","S00025569":"49772","S00025570":"43354","S00025571":"250019","S00025572":"68973","S00025573":"92864","S00025574":"64098","S00025575":"45819","S00025576":"50461","S00025577":"102887","S00025578":"197917","S00025579":"223810","S00025580":"235023","S00025581":"88968"},{"Metabolite":"PIMELIC ACID (M+NA)+","S00025568":"","S00025569":"6914","S00025570":"23794","S00025571":"","S00025572":"","S00025573":"","S00025574":"13218","S00025575":"","S00025576":"54884","S00025577":"10144","S00025578":"","S00025579":"7038","S00025580":"6156","S00025581":"16007"},{"Metabolite":"PIPECOLIC ACID (M+H)+","S00025568":"567104","S00025569":"514417","S00025570":"946385","S00025571":"424354","S00025572":"674689","S00025573":"596189","S00025574":"573299","S00025575":"649664","S00025576":"352239","S00025577":"1067813","S00025578":"579838","S00025579":"611618","S00025580":"626838","S00025581":"636598"},{"Metabolite":"PROPIONYLCARNITINE (*) (M+H)+","S00025568":"250215","S00025569":"517328","S00025570":"264735","S00025571":"424494","S00025572":"691101","S00025573":"225834","S00025574":"924324","S00025575":"613613","S00025576":"254165","S00025577":"169563","S00025578":"632461","S00025579":"330785","S00025580":"306522","S00025581":"302841"},{"Metabolite":"RAFFINOSE (M+NA)+","S00025568":"16857","S00025569":"9896","S00025570":"10992","S00025571":"6811","S00025572":"6171","S00025573":"1396","S00025574":"","S00025575":"5601","S00025576":"10012","S00025577":"12040","S00025578":"","S00025579":"5709","S00025580":"5510","S00025581":"9962"},{"Metabolite":"RIBOFLAVIN (M+H)+","S00025568":"42971","S00025569":"6286","S00025570":"8595","S00025571":"","S00025572":"12133","S00025573":"8194","S00025574":"17817","S00025575":"5962","S00025576":"","S00025577":"15731","S00025578":"13539","S00025579":"10508","S00025580":"15115","S00025581":"8851"},{"Metabolite":"SALICYLURIC ACID (M+H)+","S00025568":"","S00025569":"","S00025570":"","S00025571":"","S00025572":"79263","S00025573":"4774","S00025574":"","S00025575":"43188","S00025576":"","S00025577":"69442","S00025578":"","S00025579":"","S00025580":"","S00025581":""},{"Metabolite":"SALICYLURIC ACID (M+NA)+","S00025568":"","S00025569":"8023","S00025570":"","S00025571":"","S00025572":"58906","S00025573":"4996","S00025574":"","S00025575":"23841","S00025576":"","S00025577":"47779","S00025578":"","S00025579":"","S00025580":"","S00025581":"5118"},{"Metabolite":"SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+","S00025568":"109594","S00025569":"68180","S00025570":"113812","S00025571":"109546","S00025572":"126318","S00025573":"119595","S00025574":"7562","S00025575":"228902","S00025576":"96100","S00025577":"261386","S00025578":"","S00025579":"66231","S00025580":"29013","S00025581":"324873"},{"Metabolite":"SPERMIDINE (M+H)+","S00025568":"49504","S00025569":"59269","S00025570":"59526","S00025571":"42942","S00025572":"32163","S00025573":"115637","S00025574":"18201","S00025575":"37052","S00025576":"58014","S00025577":"33615","S00025578":"17100","S00025579":"22717","S00025580":"43281","S00025581":"110876"},{"Metabolite":"SPERMINE (M+H)+","S00025568":"27153","S00025569":"32750","S00025570":"30153","S00025571":"15843","S00025572":"14564","S00025573":"24299","S00025574":"12931","S00025575":"17488","S00025576":"30365","S00025577":"16589","S00025578":"2444","S00025579":"10018","S00025580":"17134","S00025581":"34892"},{"Metabolite":"SPHINGANINE (M+H)+","S00025568":"125810","S00025569":"93977","S00025570":"173696","S00025571":"","S00025572":"","S00025573":"","S00025574":"10700000","S00025575":"259489","S00025576":"189078","S00025577":"284643","S00025578":"79068","S00025579":"89625","S00025580":"104629","S00025581":"39847"},{"Metabolite":"SPHINGOSINE (M+H)+","S00025568":"477655","S00025569":"","S00025570":"","S00025571":"","S00025572":"","S00025573":"","S00025574":"","S00025575":"","S00025576":"","S00025577":"1971415","S00025578":"169495","S00025579":"156906","S00025580":"274691","S00025581":"83633"},{"Metabolite":"STEAROYLCARNITINE (*) (M+H)+","S00025568":"3166131","S00025569":"","S00025570":"","S00025571":"","S00025572":"","S00025573":"","S00025574":"","S00025575":"","S00025576":"","S00025577":"","S00025578":"3890631","S00025579":"2129298","S00025580":"646085","S00025581":"354029"},{"Metabolite":"SUBERIC ACID (M+NA)+","S00025568":"40375","S00025569":"35812","S00025570":"53293","S00025571":"39106","S00025572":"38106","S00025573":"232618","S00025574":"59896","S00025575":"42487","S00025576":"73990","S00025577":"38223","S00025578":"53943","S00025579":"37236","S00025580":"33515","S00025581":"67314"},{"Metabolite":"SULFADIMETHOXINE (M+H)+","S00025568":"521064","S00025569":"307584","S00025570":"317069","S00025571":"209478","S00025572":"142768","S00025573":"110569","S00025574":"60271","S00025575":"127769","S00025576":"1708878","S00025577":"1410863","S00025578":"1548636","S00025579":"1269888","S00025580":"1324341","S00025581":"1119513"},{"Metabolite":"SULFADIMETHOXINE (M+NA)+","S00025568":"300749","S00025569":"178541","S00025570":"187537","S00025571":"124528","S00025572":"82500","S00025573":"83261","S00025574":"11587","S00025575":"86512","S00025576":"722574","S00025577":"645507","S00025578":"644198","S00025579":"622776","S00025580":"631748","S00025581":"546193"},{"Metabolite":"TAUROLITHOCHOLIC ACID (M+H)+","S00025568":"23275","S00025569":"115835","S00025570":"79865","S00025571":"75836","S00025572":"317670","S00025573":"614912","S00025574":"84531","S00025575":"65176","S00025576":"","S00025577":"123928","S00025578":"158990","S00025579":"157351","S00025580":"58454","S00025581":"23837"},{"Metabolite":"TETRADECADIENOYLCARNITINE (*) M+","S00025568":"391478","S00025569":"462156","S00025570":"700962","S00025571":"362456","S00025572":"422589","S00025573":"218460","S00025574":"363024","S00025575":"195805","S00025576":"251599","S00025577":"133763","S00025578":"597321","S00025579":"264740","S00025580":"464777","S00025581":"77461"},{"Metabolite":"TETRADECENOYLCARNITINE (*) M+","S00025568":"803001","S00025569":"895616","S00025570":"1536314","S00025571":"966981","S00025572":"771694","S00025573":"478418","S00025574":"707945","S00025575":"755156","S00025576":"423251","S00025577":"466098","S00025578":"2002636","S00025579":"846619","S00025580":"1371472","S00025581":"264684"},{"Metabolite":"THEOBROMINE (M+H)+","S00025568":"1782041","S00025569":"388997","S00025570":"554179","S00025571":"311392","S00025572":"66378","S00025573":"51781","S00025574":"1302610","S00025575":"2263646","S00025576":"981972","S00025577":"1950544","S00025578":"968852","S00025579":"1761297","S00025580":"1659873","S00025581":"3264305"},{"Metabolite":"THEOPHYLLINE (M+H)+","S00025568":"367723","S00025569":"712123","S00025570":"263487","S00025571":"","S00025572":"34981","S00025573":"225270","S00025574":"328518","S00025575":"495305","S00025576":"620170","S00025577":"1011059","S00025578":"470865","S00025579":"367487","S00025580":"942666","S00025581":"570086"},{"Metabolite":"THEOPHYLLINE (M+NA)+","S00025568":"122932","S00025569":"47020","S00025570":"101536","S00025571":"40718","S00025572":"18081","S00025573":"31226","S00025574":"101905","S00025575":"151984","S00025576":"154021","S00025577":"272177","S00025578":"116599","S00025579":"123515","S00025580":"259897","S00025581":"191883"},{"Metabolite":"TRYPTOPHAN (M+H)+","S00025568":"19500000","S00025569":"29900000","S00025570":"23100000","S00025571":"23700000","S00025572":"30200000","S00025573":"29100000","S00025574":"23500000","S00025575":"25900000","S00025576":"19700000","S00025577":"23200000","S00025578":"20600000","S00025579":"25000000","S00025580":"21200000","S00025581":"24500000"},{"Metabolite":"TRYPTOPHAN (M+NA)+","S00025568":"608678","S00025569":"747396","S00025570":"656222","S00025571":"667091","S00025572":"728320","S00025573":"746648","S00025574":"552868","S00025575":"748280","S00025576":"562985","S00025577":"755235","S00025578":"519969","S00025579":"756025","S00025580":"732461","S00025581":"851643"},{"Metabolite":"TYROSINE (M+H)+","S00025568":"7848006","S00025569":"15300000","S00025570":"10100000","S00025571":"6793791","S00025572":"14300000","S00025573":"13400000","S00025574":"6676474","S00025575":"11200000","S00025576":"12900000","S00025577":"10300000","S00025578":"2606600","S00025579":"11000000","S00025580":"8470915","S00025581":"9958013"},{"Metabolite":"TYROSINE (M+NA)+","S00025568":"176761","S00025569":"161832","S00025570":"338647","S00025571":"93006","S00025572":"137478","S00025573":"369340","S00025574":"","S00025575":"131235","S00025576":"200897","S00025577":"282337","S00025578":"","S00025579":"118732","S00025580":"108487","S00025581":"229454"},{"Metabolite":"URIC ACID (M+H)+","S00025568":"2555629","S00025569":"2463979","S00025570":"2909978","S00025571":"3839136","S00025572":"2954980","S00025573":"2954090","S00025574":"2629429","S00025575":"2724789","S00025576":"2201797","S00025577":"2272791","S00025578":"2322806","S00025579":"2167515","S00025580":"2203905","S00025581":"2193046"},{"Metabolite":"URIDINE (M+H)+","S00025568":"10032","S00025569":"19369","S00025570":"1957","S00025571":"32612","S00025572":"14817","S00025573":"25613","S00025574":"38605","S00025575":"23889","S00025576":"18808","S00025577":"21748","S00025578":"9483","S00025579":"12352","S00025580":"34821","S00025581":"37196"},{"Metabolite":"URIDINE (M+NA)+","S00025568":"34648","S00025569":"84362","S00025570":"91638","S00025571":"79607","S00025572":"42298","S00025573":"137353","S00025574":"36416","S00025575":"47799","S00025576":"62091","S00025577":"68646","S00025578":"20881","S00025579":"30124","S00025580":"75973","S00025581":"50687"},{"Metabolite":"VALINE (M+H)+","S00025568":"5944550","S00025569":"8209327","S00025570":"7430448","S00025571":"7192017","S00025572":"7994241","S00025573":"8802821","S00025574":"4227144","S00025575":"8998798","S00025576":"9082610","S00025577":"6232408","S00025578":"5254821","S00025579":"8234849","S00025580":"8377855","S00025581":"7149842"},{"Metabolite":"VALINE (M+NA)+","S00025568":"41229","S00025569":"57422","S00025570":"60926","S00025571":"51359","S00025572":"48178","S00025573":"226337","S00025574":"17949","S00025575":"47686","S00025576":"46040","S00025577":"26913","S00025578":"9105","S00025579":"37153","S00025580":"46057","S00025581":"38834"},{"Metabolite":"XANTHOSINE (M+H)+","S00025568":"","S00025569":"","S00025570":"","S00025571":"2528","S00025572":"4604","S00025573":"3684","S00025574":"1851","S00025575":"","S00025576":"","S00025577":"","S00025578":"","S00025579":"","S00025580":"","S00025581":""},{"Metabolite":"ZEATIN [ISTD] (M+H)+","S00025568":"2014024","S00025569":"2021465","S00025570":"2002556","S00025571":"1959655","S00025572":"2036142","S00025573":"2012530","S00025574":"1998307","S00025575":"2041717","S00025576":"2011879","S00025577":"2037226","S00025578":"1938437","S00025579":"1988262","S00025580":"1967072","S00025581":"2024307"}],

"Metabolites":[{"Metabolite":"1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID (M+H)+","moverz_quant":"101.047","ri":"0.958","ri_type":"","pubchem_id":"535","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"1-METHYLADENOSINE (M+H)+","moverz_quant":"281.113","ri":"3.022","ri_type":"","pubchem_id":"27476","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"1-METHYLXANTHINE (M+H)+","moverz_quant":"166.048","ri":"2.481","ri_type":"","pubchem_id":"80220","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"16:0 LYSO PC (M+H)+","moverz_quant":"495.334","ri":"22.266","ri_type":"","pubchem_id":"460602","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"16:0 LYSO PC (M+NA)+","moverz_quant":"495.334","ri":"22.301","ri_type":"","pubchem_id":"460602","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"16:0-18:0 PC (M+H)+","moverz_quant":"761.595","ri":"25.533","ri_type":"","pubchem_id":"18631368","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"18:0 LYSO-PE (M+H)+","moverz_quant":"481.318","ri":"22.66","ri_type":"","pubchem_id":"9547068","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2-HYDROXY-3-METHYLBUTYRIC ACID (M+NA)+","moverz_quant":"118.063","ri":"3.418","ri_type":"","pubchem_id":"853180","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"24:0 SM (D18:1/24:0) (M+NA)+","moverz_quant":"814.693","ri":"27.813","ri_type":"","pubchem_id":"44260127","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"25-HYDROXYCHOLESTEROL (M+H)+[-H2O]","moverz_quant":"402.345","ri":"22.793","ri_type":"","pubchem_id":"65094","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-(4-HYDROXYPHENYL)LACTIC ACID (M+NA)+","moverz_quant":"182.058","ri":"3.836","ri_type":"","pubchem_id":"440177","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]","moverz_quant":"122.037","ri":"4.845","ri_type":"","pubchem_id":"101","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-HYDROXYLAUROYLCARNITINE (*) (M+H)+","moverz_quant":"359.268","ri":"16.101","ri_type":"","pubchem_id":"71464535","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-METHOXYTYROSINE (M+H)+","moverz_quant":"211.085","ri":"1.983","ri_type":"","pubchem_id":"9307","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-METHYLXANTHINE (M+H)+","moverz_quant":"166.052","ri":"2.477","ri_type":"","pubchem_id":"70639","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-ACETAMINOPHEN SULFATE (M+H)+","moverz_quant":"231.02","ri":"2.368","ri_type":"","pubchem_id":"83939","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-HYDROXYPHENYLACETIC ACID (M+H)+","moverz_quant":"152.045","ri":"4.692","ri_type":"","pubchem_id":"127","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5'-METHYLTHIOADENOSINE (M+H)+","moverz_quant":"297.09","ri":"4.483","ri_type":"","pubchem_id":"439176","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ACETAMINOPHEN (TN TYLENOL) (M+H)+","moverz_quant":"151.064","ri":"3.101","ri_type":"","pubchem_id":"1983","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ACETAMINOPHEN (TN TYLENOL) (M+NA)+","moverz_quant":"151.064","ri":"3.011","ri_type":"","pubchem_id":"1983","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ACETYLCARNITINE (M+H)+","moverz_quant":"203.115","ri":"0.902","ri_type":"","pubchem_id":"18230","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ADENOSINE 5'-MONOPHOSPHATE (M+H)+","moverz_quant":"347.062","ri":"0.921","ri_type":"","pubchem_id":"6083","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ADIPIC ACID (M+H)+","moverz_quant":"146.055","ri":"3.576","ri_type":"","pubchem_id":"196","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ADIPIC ACID (M+NA)+","moverz_quant":"146.057","ri":"3.475","ri_type":"","pubchem_id":"196","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ALPHA-LINOLENIC ACID (M+NA)+","moverz_quant":"278.223","ri":"22.851","ri_type":"","pubchem_id":"5280934","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ALPHA-TOCOPHEROL (M+H)+","moverz_quant":"430.381","ri":"24.582","ri_type":"","pubchem_id":"14985","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ASPARAGINE (M+H)+","moverz_quant":"132.052","ri":"0.647","ri_type":"","pubchem_id":"6267","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BILIVERDIN (M+H)+","moverz_quant":"582.25","ri":"18.493","ri_type":"","pubchem_id":"5280353","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+","moverz_quant":"390.278","ri":"23.105","ri_type":"","pubchem_id":"8343","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+","moverz_quant":"390.278","ri":"23.107","ri_type":"","pubchem_id":"8343","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BUTYRYLCARNITINE (*) (M+H)+","moverz_quant":"231.147","ri":"2.867","ri_type":"","pubchem_id":"213144","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+NA)+","moverz_quant":"643.498","ri":"23.258","ri_type":"","pubchem_id":"46891735","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CAFFEINE (M+H)+","moverz_quant":"194.082","ri":"5.953","ri_type":"","pubchem_id":"2519","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CAFFEINE (M+NA)+","moverz_quant":"194.082","ri":"5.95","ri_type":"","pubchem_id":"2519","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CALCIDIOL (M+H)+[-H2O]","moverz_quant":"400.331","ri":"22.591","ri_type":"","pubchem_id":"5283731","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CARNITINE (M+H)+","moverz_quant":"161.104","ri":"0.616","ri_type":"","pubchem_id":"10917","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CARNOSINE (M+NA)+","moverz_quant":"226.105","ri":"0.649","ri_type":"","pubchem_id":"439224","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CHOLESTEROL (M+H)+[-H2O]","moverz_quant":"386.356","ri":"24.615","ri_type":"","pubchem_id":"5997","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CHOLINE PHOSPHATE (M+H)+","moverz_quant":"183.065","ri":"0.623","ri_type":"","pubchem_id":"1014","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CITRIC ACID (M+NA)+","moverz_quant":"192.027","ri":"1.023","ri_type":"","pubchem_id":"311","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CORTISOL 21-ACETIC ACID (M+NA)+","moverz_quant":"404.221","ri":"15.586","ri_type":"","pubchem_id":"5744","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CREATINE (M+H)+","moverz_quant":"131.069","ri":"0.679","ri_type":"","pubchem_id":"586","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CREATININE (M+H)+","moverz_quant":"113.058","ri":"0.675","ri_type":"","pubchem_id":"588","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CYSTATHIONINE (M+H)+","moverz_quant":"222.066","ri":"0.634","ri_type":"","pubchem_id":"439258","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CYSTEIC ACID (M+H)+","moverz_quant":"187.017","ri":"0.639","ri_type":"","pubchem_id":"72886","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CYTIDINE 5'-DIPHOSPHOCHOLINE (M+K)+","moverz_quant":"488.106","ri":"0.665","ri_type":"","pubchem_id":"13804","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DECANOYLCARNITINE (*) (M+H)+","moverz_quant":"315.242","ri":"15.191","ri_type":"","pubchem_id":"11953821","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DECENOYLCARNITINE (*) (M+H)+","moverz_quant":"313.226","ri":"13.843","ri_type":"","pubchem_id":"57357170","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DEOXYURIDINE (M+NA)+","moverz_quant":"228.073","ri":"1.675","ri_type":"","pubchem_id":"13712","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DEPHOSPHO-COA (M+H)+","moverz_quant":"687.162","ri":"3.584","ri_type":"","pubchem_id":"444485","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DESLORATADINE (M+H)+","moverz_quant":"310.125","ri":"10.005","ri_type":"","pubchem_id":"124087","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DESMOSTEROL (M+H)+[-H2O]","moverz_quant":"384.34","ri":"24.238","ri_type":"","pubchem_id":"439577","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DODECENOYLCARNITINE (*) II M+","moverz_quant":"342.264","ri":"16.733","ri_type":"","pubchem_id":"53481671","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DODECENOYLCARNITINE (*) M+","moverz_quant":"342.265","ri":"16.438","ri_type":"","pubchem_id":"53481671","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"EICOSADIENOYLCARNITINE (*) (M+H)+","moverz_quant":"451.363","ri":"21.579","ri_type":"","pubchem_id":"71464509","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"EICOSANOYLCARNITINE (*) (M+H)+","moverz_quant":"455.396","ri":"22.043","ri_type":"","pubchem_id":"53477833","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"EICOSENOYLCARNITINE (*) (M+H)+","moverz_quant":"453.379","ri":"21.821","ri_type":"","pubchem_id":"71464507","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ELAIDIC ACID (M+H)+","moverz_quant":"282.256","ri":"22.94","ri_type":"","pubchem_id":"637517","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"EPIBRASSINOLIDE [ISTD] (M+H)+","moverz_quant":"480.346","ri":"19.979","ri_type":"","pubchem_id":"115196","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"EPIBRASSINOLIDE [ISTD] (M+NA)+","moverz_quant":"480.346","ri":"19.978","ri_type":"","pubchem_id":"115196","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GALACTURONIC ACID (M+NA)+[-H2O]","moverz_quant":"194.043","ri":"0.736","ri_type":"","pubchem_id":"84740","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUCOSE (2M+NA)+","moverz_quant":"180.062","ri":"0.647","ri_type":"","pubchem_id":"5793","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUCOSE (M+NA)+","moverz_quant":"180.063","ri":"0.749","ri_type":"","pubchem_id":"5793","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCEROL MYRISTATE (M+NA)+","moverz_quant":"302.244","ri":"22.192","ri_type":"","pubchem_id":"79050","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOCHENODEOXYCHOLIC ACID (M+H)+","moverz_quant":"449.312","ri":"20.461","ri_type":"","pubchem_id":"9548796","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O]","moverz_quant":"449.315","ri":"20.46","ri_type":"","pubchem_id":"9548796","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOCHENODEOXYCHOLIC ACID (M+NA)+","moverz_quant":"449.315","ri":"20.46","ri_type":"","pubchem_id":"9548796","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOCHOLIC ACID (M+H)+[-H2O]","moverz_quant":"465.309","ri":"18.817","ri_type":"","pubchem_id":"10140","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GUANINE (M+H)+","moverz_quant":"151.048","ri":"0.844","ri_type":"","pubchem_id":"764","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HEXANOYLCARNITINE (*) M+","moverz_quant":"260.187","ri":"6.949","ri_type":"","pubchem_id":"3246939","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HIPPURIC ACID (M+H)+","moverz_quant":"179.059","ri":"4.842","ri_type":"","pubchem_id":"464","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HIPPURIC ACID (M+NA)+","moverz_quant":"179.059","ri":"4.843","ri_type":"","pubchem_id":"464","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HOMOGENTISIC ACID (M+H)+","moverz_quant":"168.04","ri":"2.085","ri_type":"","pubchem_id":"780","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HOMOVANILLIC ACID (M+H)+","moverz_quant":"182.058","ri":"5.778","ri_type":"","pubchem_id":"1738","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HYPOXANTHINE (M+H)+","moverz_quant":"136.039","ri":"1.077","ri_type":"","pubchem_id":"790","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"IBUPROFEN (M+NA)+","moverz_quant":"206.131","ri":"18.991","ri_type":"","pubchem_id":"114864","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"INDOLE-3-ACETALDEHYDE (M+H)+","moverz_quant":"159.069","ri":"1.717","ri_type":"","pubchem_id":"800","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"INDOLE-3-ACETIC ACID (M+H)+","moverz_quant":"175.064","ri":"8.505","ri_type":"","pubchem_id":"802","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"INDOLE-3-ACETIC ACID (M+NA)+","moverz_quant":"175.064","ri":"8.504","ri_type":"","pubchem_id":"802","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"INOSINE (M+H)+","moverz_quant":"268.083","ri":"1.82","ri_type":"","pubchem_id":"6021","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"INOSINE (M+NA)+","moverz_quant":"268.082","ri":"1.833","ri_type":"","pubchem_id":"6021","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ISO-BUTYRYLCARNITINE (*) (M+H)+","moverz_quant":"231.147","ri":"2.775","ri_type":"","pubchem_id":"168379","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ISOLEUCINE (M+H)+","moverz_quant":"131.095","ri":"1.496","ri_type":"","pubchem_id":"6306","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ISOVALERYLCARNITINE (*) (M+H)+","moverz_quant":"245.163","ri":"4.511","ri_type":"","pubchem_id":"169235","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"KYNURENIC ACID (M+H)+","moverz_quant":"189.043","ri":"5","ri_type":"","pubchem_id":"3845","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"KYNURENINE (M+H)+","moverz_quant":"208.085","ri":"2.163","ri_type":"","pubchem_id":"161166","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"KYNURENINE (M+NA)+","moverz_quant":"208.084","ri":"2.161","ri_type":"","pubchem_id":"161166","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-HISTIDINE (M+H)+","moverz_quant":"155.069","ri":"0.528","ri_type":"","pubchem_id":"6274","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-TRYPTOPHAN-15N2 [ISTD] (M+H)+","moverz_quant":"206.085","ri":"3.576","ri_type":"","pubchem_id":"16217285","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LAUROYLCARNITINE (M+H)+","moverz_quant":"343.273","ri":"17.79","ri_type":"","pubchem_id":"168381","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LEUKOTRIENE B4 (M+H)+","moverz_quant":"336.227","ri":"20.804","ri_type":"","pubchem_id":"5280492","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LINOLEOYLCARNITINE (*) (M+H)+","moverz_quant":"423.336","ri":"20.84","ri_type":"","pubchem_id":"6450015","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LYSINE (M+H)+","moverz_quant":"146.106","ri":"0.51","ri_type":"","pubchem_id":"5962","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LYSINE (M+NA)+","moverz_quant":"146.105","ri":"0.544","ri_type":"","pubchem_id":"5962","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"METHIONINE (M+H)+","moverz_quant":"149.051","ri":"0.961","ri_type":"","pubchem_id":"6137","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"METHYL JASMONATE (M+NA)+","moverz_quant":"224.141","ri":"16.089","ri_type":"","pubchem_id":"5281929","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MYRISTOYLCARNITINE (*) (M+H)+","moverz_quant":"371.304","ri":"19.738","ri_type":"","pubchem_id":"3413344","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-DL-SERINE (M+H)+[-H2O]","moverz_quant":"147.052","ri":"0.896","ri_type":"","pubchem_id":"65249","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-L-PHENYLALANINE (M+NA)+","moverz_quant":"207.091","ri":"7.786","ri_type":"","pubchem_id":"74839","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYLGLYCINE (M+NA)+","moverz_quant":"117.042","ri":"0.911","ri_type":"","pubchem_id":"1097","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYLNEURAMINIC ACID (M+H)+","moverz_quant":"309.109","ri":"0.705","ri_type":"","pubchem_id":"444885","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-CYCLOHEXYLFORMAMIDE (M+H)+","moverz_quant":"127.099","ri":"7.985","ri_type":"","pubchem_id":"13017","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NICOTINAMIDE (M+H)+","moverz_quant":"122.047","ri":"1.081","ri_type":"","pubchem_id":"936","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OCTANOYLCARNITINE (*) (M+H)+","moverz_quant":"287.211","ri":"11.598","ri_type":"","pubchem_id":"123701","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OCTENOYLCARNITINE (*) M+","moverz_quant":"286.203","ri":"9.472","ri_type":"","pubchem_id":"71464472","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OLEIC ACID (M+H)+","moverz_quant":"282.255","ri":"22.537","ri_type":"","pubchem_id":"445639","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OLEIC ACID (M+NA)+","moverz_quant":"282.256","ri":"22.536","ri_type":"","pubchem_id":"445639","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OLEOYL-GLYCEROL (M+NA)+","moverz_quant":"356.293","ri":"22.727","ri_type":"","pubchem_id":"5319879","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OLEOYLCARNITINE (*) (M+H)+","moverz_quant":"425.352","ri":"21.389","ri_type":"","pubchem_id":"6441392","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OMEPRAZOLE (M+H)+","moverz_quant":"345.116","ri":"11.26","ri_type":"","pubchem_id":"4594","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ORNITHINE (M+H)+","moverz_quant":"132.09","ri":"0.513","ri_type":"","pubchem_id":"6262","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M+H)+","moverz_quant":"327.093","ri":"2.258","ri_type":"","pubchem_id":"83944","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+H)+","moverz_quant":"327.096","ri":"2.255","ri_type":"","pubchem_id":"83944","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+NA)+","moverz_quant":"327.096","ri":"2.257","ri_type":"","pubchem_id":"83944","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PALMITOLEYLCARNITINE (*) M+","moverz_quant":"398.327","ri":"20.314","ri_type":"","pubchem_id":"71464547","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PALMITOYLCARNITINE (M+H)+","moverz_quant":"399.335","ri":"21.174","ri_type":"","pubchem_id":"11953816","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PANTOTHENIC ACID (M+H)+","moverz_quant":"219.111","ri":"3.27","ri_type":"","pubchem_id":"6613","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PANTOTHENIC ACID (M+NA)+","moverz_quant":"219.111","ri":"3.264","ri_type":"","pubchem_id":"6613","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PIMELIC ACID (M+NA)+","moverz_quant":"160.076","ri":"5.716","ri_type":"","pubchem_id":"385","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PIPECOLIC ACID (M+H)+","moverz_quant":"129.077","ri":"0.92","ri_type":"","pubchem_id":"849","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PROPIONYLCARNITINE (*) (M+H)+","moverz_quant":"217.131","ri":"1.598","ri_type":"","pubchem_id":"107738","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"RAFFINOSE (M+NA)+","moverz_quant":"504.16","ri":"0.66","ri_type":"","pubchem_id":"439242","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"RIBOFLAVIN (M+H)+","moverz_quant":"376.141","ri":"7.687","ri_type":"","pubchem_id":"493570","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SALICYLURIC ACID (M+H)+","moverz_quant":"195.057","ri":"6.29","ri_type":"","pubchem_id":"10253","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SALICYLURIC ACID (M+NA)+","moverz_quant":"195.054","ri":"6.29","ri_type":"","pubchem_id":"10253","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+","moverz_quant":"257.101","ri":"0.67","ri_type":"","pubchem_id":"439285","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SPERMIDINE (M+H)+","moverz_quant":"145.158","ri":"0.518","ri_type":"","pubchem_id":"1102","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SPERMINE (M+H)+","moverz_quant":"202.216","ri":"0.519","ri_type":"","pubchem_id":"1103","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SPHINGANINE (M+H)+","moverz_quant":"301.297","ri":"20.7","ri_type":"","pubchem_id":"644260","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SPHINGOSINE (M+H)+","moverz_quant":"299.283","ri":"20.268","ri_type":"","pubchem_id":"5280335","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"STEAROYLCARNITINE (*) (M+H)+","moverz_quant":"427.367","ri":"21.735","ri_type":"","pubchem_id":"52922056","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SUBERIC ACID (M+NA)+","moverz_quant":"174.091","ri":"8.347","ri_type":"","pubchem_id":"10457","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SULFADIMETHOXINE (M+H)+","moverz_quant":"310.075","ri":"9.413","ri_type":"","pubchem_id":"5323","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SULFADIMETHOXINE (M+NA)+","moverz_quant":"310.075","ri":"9.412","ri_type":"","pubchem_id":"5323","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TAUROLITHOCHOLIC ACID (M+H)+","moverz_quant":"483.312","ri":"21.745","ri_type":"","pubchem_id":"439763","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TETRADECADIENOYLCARNITINE (*) M+","moverz_quant":"368.281","ri":"17.712","ri_type":"","pubchem_id":"53481681","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TETRADECENOYLCARNITINE (*) M+","moverz_quant":"370.297","ri":"18.822","ri_type":"","pubchem_id":"22833575","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THEOBROMINE (M+H)+","moverz_quant":"180.065","ri":"3.482","ri_type":"","pubchem_id":"5429","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THEOPHYLLINE (M+H)+","moverz_quant":"180.065","ri":"4.416","ri_type":"","pubchem_id":"2153","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THEOPHYLLINE (M+NA)+","moverz_quant":"180.065","ri":"4.452","ri_type":"","pubchem_id":"2153","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TRYPTOPHAN (M+H)+","moverz_quant":"204.09","ri":"3.575","ri_type":"","pubchem_id":"6305","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TRYPTOPHAN (M+NA)+","moverz_quant":"204.089","ri":"3.568","ri_type":"","pubchem_id":"6305","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TYROSINE (M+H)+","moverz_quant":"181.074","ri":"1.297","ri_type":"","pubchem_id":"6057","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TYROSINE (M+NA)+","moverz_quant":"181.071","ri":"1.301","ri_type":"","pubchem_id":"6057","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"URIC ACID (M+H)+","moverz_quant":"168.028","ri":"0.996","ri_type":"","pubchem_id":"1175","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"URIDINE (M+H)+","moverz_quant":"244.069","ri":"1.353","ri_type":"","pubchem_id":"6029","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"URIDINE (M+NA)+","moverz_quant":"244.07","ri":"1.357","ri_type":"","pubchem_id":"6029","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"VALINE (M+H)+","moverz_quant":"117.079","ri":"0.864","ri_type":"","pubchem_id":"6287","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"VALINE (M+NA)+","moverz_quant":"117.078","ri":"0.861","ri_type":"","pubchem_id":"6287","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"XANTHOSINE (M+H)+","moverz_quant":"284.074","ri":"2.312","ri_type":"","pubchem_id":"64959","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ZEATIN [ISTD] (M+H)+","moverz_quant":"219.113","ri":"3.87","ri_type":"","pubchem_id":"449093","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""}]
}

}