{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000748","ANALYSIS_ID":"AN001172","VERSION":"1","CREATED_ON":"July 3, 2017, 2:43 pm"},

"PROJECT":{"PROJECT_TITLE":"Placental cells (BeWo cell line) exposure to phthalate esters","PROJECT_TYPE":"MS analysis","PROJECT_SUMMARY":"Placental cells (BeWo cell line) were exposed to phthalate esters or vehicle control, metabolomics changes will investigated 24 hours post exposure","INSTITUTE":"University of Michigan","DEPARTMENT":"Environmental Health","LABORATORY":"Loch-Caruso Lab","LAST_NAME":"Loch-Caruso","FIRST_NAME":"Rita","ADDRESS":"Ann Arbor, MI","EMAIL":"rlc@umich.edu","PHONE":"734-936-1256"},

"STUDY":{"STUDY_TITLE":"Placental cells (BeWo) phthalate exposure metabolomics","STUDY_TYPE":"MS analysis","STUDY_SUMMARY":"BeWo cells were plated in 100mm x 20mm cell culture plates and allowed to attach and acclimate for 24 hours. Cell culture media was then replaced with media containing mono(2-ethylhexyl)phthalate (MEHP) at either 90 or 180 micromolar concentrations or vehicle control (DMSO, 0.05% by volume). Cells were exposed for 24 hours followed by collection of cell media which was flash frozen in liquid nitrogen and then placed on dry ice. Cells were washed with sodium acetate and then immediately flash frozen by addition of ~8mL of liquid nitrogen to tissue culture plate. All samples were stored at -80 degrees C.","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":"5","TOTAL_SUBJECTS":"3"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"SU0014783",
"Sample ID":"S00022575",
"Factors":{"MEHP concentration":"-","Sample type":"Culture Media"}
},
{
"Subject ID":"SU0014784",
"Sample ID":"S00022576",
"Factors":{"MEHP concentration":"-","Sample type":"Culture Media"}
},
{
"Subject ID":"SU0014785",
"Sample ID":"S00022577",
"Factors":{"MEHP concentration":"-","Sample type":"Culture Media"}
},
{
"Subject ID":"SU0014783",
"Sample ID":"S00022578",
"Factors":{"MEHP concentration":"90","Sample type":"Culture Media"}
},
{
"Subject ID":"SU0014784",
"Sample ID":"S00022579",
"Factors":{"MEHP concentration":"90","Sample type":"Culture Media"}
},
{
"Subject ID":"SU0014785",
"Sample ID":"S00022580",
"Factors":{"MEHP concentration":"90","Sample type":"Culture Media"}
},
{
"Subject ID":"SU0014783",
"Sample ID":"S00022581",
"Factors":{"MEHP concentration":"180","Sample type":"Culture Media"}
},
{
"Subject ID":"SU0014784",
"Sample ID":"S00022582",
"Factors":{"MEHP concentration":"180","Sample type":"Culture Media"}
},
{
"Subject ID":"SU0014785",
"Sample ID":"S00022583",
"Factors":{"MEHP concentration":"180","Sample type":"Culture Media"}
},
{
"Subject ID":"SU0014783",
"Sample ID":"S00022584",
"Factors":{"MEHP concentration":"-","Sample type":"Cells"}
},
{
"Subject ID":"SU0014784",
"Sample ID":"S00022585",
"Factors":{"MEHP concentration":"-","Sample type":"Cells"}
},
{
"Subject ID":"SU0014785",
"Sample ID":"S00022586",
"Factors":{"MEHP concentration":"-","Sample type":"Cells"}
},
{
"Subject ID":"SU0014783",
"Sample ID":"S00022587",
"Factors":{"MEHP concentration":"90","Sample type":"Cells"}
},
{
"Subject ID":"SU0014784",
"Sample ID":"S00022588",
"Factors":{"MEHP concentration":"90","Sample type":"Cells"}
},
{
"Subject ID":"SU0014785",
"Sample ID":"S00022589",
"Factors":{"MEHP concentration":"90","Sample type":"Cells"}
},
{
"Subject ID":"SU0014783",
"Sample ID":"S00022590",
"Factors":{"MEHP concentration":"180","Sample type":"Cells"}
},
{
"Subject ID":"SU0014784",
"Sample ID":"S00022591",
"Factors":{"MEHP concentration":"180","Sample type":"Cells"}
},
{
"Subject ID":"SU0014785",
"Sample ID":"S00022592",
"Factors":{"MEHP concentration":"180","Sample type":"Cells"}
}
],
"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":"NEGATIVE"},

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

"Data":[{"Metabolite":"16:0 LYSO PC (M+CL)-","S00022575":"6485","S00022576":"4963","S00022577":"4488","S00022578":"5318","S00022579":"5930","S00022580":"4467","S00022581":"6786","S00022582":"5865","S00022583":"6074","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"18:0 LYSO-PE (M-H)-","S00022575":"11056","S00022576":"7612","S00022577":"8579","S00022578":"7714","S00022579":"4625","S00022580":"6017","S00022581":"10110","S00022582":"8200","S00022583":"8036","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-","S00022575":"135416","S00022576":"144654","S00022577":"147320","S00022578":"128068","S00022579":"154873","S00022580":"138594","S00022581":"133377","S00022582":"136822","S00022583":"144198","S00022584":"27240","S00022585":"37003","S00022586":"17342","S00022587":"25345","S00022588":"27109","S00022589":"24830","S00022590":"23710","S00022591":"13073","S00022592":"25299"},{"Metabolite":"2-HYDROXYBUTYRIC ACID (M-H)-","S00022575":"14553","S00022576":"14193","S00022577":"11578","S00022578":"12114","S00022579":"15951","S00022580":"14025","S00022581":"17204","S00022582":"16846","S00022583":"14812","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"2-METHYLMALEIC ACID (M-H)-","S00022575":"","S00022576":"142825","S00022577":"","S00022578":"145920","S00022579":"126991","S00022580":"","S00022581":"","S00022582":"131831","S00022583":"119844","S00022584":"225400","S00022585":"270036","S00022586":"260214","S00022587":"218959","S00022588":"234774","S00022589":"239518","S00022590":"205536","S00022591":"239125","S00022592":"237951"},{"Metabolite":"3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-","S00022575":"89897","S00022576":"98588","S00022577":"88308","S00022578":"107721","S00022579":"106212","S00022580":"103806","S00022581":"80269","S00022582":"104319","S00022583":"91318","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-","S00022575":"559263","S00022576":"564653","S00022577":"50647","S00022578":"465352","S00022579":"641915","S00022580":"464127","S00022581":"739024","S00022582":"722824","S00022583":"624535","S00022584":"580388","S00022585":"615111","S00022586":"587460","S00022587":"719582","S00022588":"594692","S00022589":"633245","S00022590":"711070","S00022591":"777552","S00022592":"851040"},{"Metabolite":"3-HYDROXYBENZOIC ACID (M-H)-","S00022575":"16721","S00022576":"19050","S00022577":"17551","S00022578":"18365","S00022579":"18014","S00022580":"18549","S00022581":"18215","S00022582":"17694","S00022583":"16689","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"4-HYDROXYBENZOIC ACID (M-H)-","S00022575":"10421","S00022576":"13195","S00022577":"11910","S00022578":"12450","S00022579":"14245","S00022580":"13200","S00022581":"10910","S00022582":"14004","S00022583":"12289","S00022584":"3273","S00022585":"5795","S00022586":"4514","S00022587":"","S00022588":"3153","S00022589":"3861","S00022590":"3078","S00022591":"6870","S00022592":"6082"},{"Metabolite":"4-NITROPHENOL (M-H)-","S00022575":"34286","S00022576":"33889","S00022577":"30215","S00022578":"35532","S00022579":"30736","S00022580":"33964","S00022581":"35831","S00022582":"31620","S00022583":"30497","S00022584":"43454","S00022585":"45913","S00022586":"50987","S00022587":"49653","S00022588":"45033","S00022589":"42146","S00022590":"47787","S00022591":"46115","S00022592":"52981"},{"Metabolite":"4-PYRIDOXIC ACID (M-H)-","S00022575":"173491","S00022576":"199672","S00022577":"178580","S00022578":"183314","S00022579":"183821","S00022580":"180906","S00022581":"175168","S00022582":"168882","S00022583":"173660","S00022584":"45657","S00022585":"66238","S00022586":"44487","S00022587":"37990","S00022588":"44492","S00022589":"46511","S00022590":"35358","S00022591":"37354","S00022592":"43880"},{"Metabolite":"5'-METHYLTHIOADENOSINE (M+CL)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"112253","S00022585":"127650","S00022586":"120291","S00022587":"98550","S00022588":"110278","S00022589":"106783","S00022590":"98970","S00022591":"108975","S00022592":"117825"},{"Metabolite":"5-HYDROXYINDOLEACETIC ACID (M-H)-","S00022575":"27316","S00022576":"28777","S00022577":"23365","S00022578":"29491","S00022579":"30092","S00022580":"21460","S00022581":"27497","S00022582":"27386","S00022583":"27714","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"5-OXOPROLINE (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"2484605","S00022585":"2840255","S00022586":"2366854","S00022587":"2553089","S00022588":"2242285","S00022589":"2404300","S00022590":"2265693","S00022591":"2580228","S00022592":"2707880"},{"Metabolite":"ACETOACETIC ACID (M-H)-","S00022575":"118222","S00022576":"169648","S00022577":"129482","S00022578":"96499","S00022579":"109000","S00022580":"134005","S00022581":"102232","S00022582":"104808","S00022583":"115965","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"ADIPIC ACID (M-H)-","S00022575":"56923","S00022576":"65007","S00022577":"66626","S00022578":"63247","S00022579":"","S00022580":"55236","S00022581":"56396","S00022582":"58056","S00022583":"56473","S00022584":"31548","S00022585":"34101","S00022586":"33148","S00022587":"56444","S00022588":"","S00022589":"","S00022590":"","S00022591":"39820","S00022592":"35340"},{"Metabolite":"ALLANTOIN (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"10842","S00022585":"14187","S00022586":"12194","S00022587":"9234","S00022588":"4717","S00022589":"6736","S00022590":"10914","S00022591":"11397","S00022592":"7450"},{"Metabolite":"ARACHIDONIC ACID (M-H)-","S00022575":"346350","S00022576":"296151","S00022577":"282282","S00022578":"449241","S00022579":"333210","S00022580":"302111","S00022581":"535684","S00022582":"423405","S00022583":"433889","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"AZELAIC ACID (M-H)-","S00022575":"78058","S00022576":"76783","S00022577":"76995","S00022578":"86689","S00022579":"73005","S00022580":"60213","S00022581":"78322","S00022582":"67642","S00022583":"77651","S00022584":"81325","S00022585":"100772","S00022586":"88811","S00022587":"179263","S00022588":"73130","S00022589":"84581","S00022590":"77867","S00022591":"147753","S00022592":"128309"},{"Metabolite":"BEHENIC ACID (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"12861","S00022585":"12225","S00022586":"15365","S00022587":"16038","S00022588":"15841","S00022589":"14639","S00022590":"13632","S00022591":"15880","S00022592":"13956"},{"Metabolite":"BENZOIC ACID #2 (M-H)-","S00022575":"13499","S00022576":"11993","S00022577":"9714","S00022578":"12200","S00022579":"10031","S00022580":"10307","S00022581":"12246","S00022582":"11685","S00022583":"15352","S00022584":"13359","S00022585":"15170","S00022586":"13217","S00022587":"15274","S00022588":"13245","S00022589":"13335","S00022590":"11288","S00022591":"12340","S00022592":"13989"},{"Metabolite":"BENZOIC ACID (M-H)-","S00022575":"24864","S00022576":"41082","S00022577":"31148","S00022578":"19163","S00022579":"31813","S00022580":"26052","S00022581":"14277","S00022582":"18176","S00022583":"22507","S00022584":"13395","S00022585":"16179","S00022586":"16015","S00022587":"16991","S00022588":"16379","S00022589":"14649","S00022590":"15469","S00022591":"15608","S00022592":"23451"},{"Metabolite":"BILIVERDIN (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"1673","S00022585":"2952","S00022586":"2561","S00022587":"1587","S00022588":"2105","S00022589":"2559","S00022590":"1504","S00022591":"1384","S00022592":"2713"},{"Metabolite":"BIOTIN (M-H)-","S00022575":"24858","S00022576":"30393","S00022577":"28586","S00022578":"23433","S00022579":"24740","S00022580":"26132","S00022581":"22480","S00022582":"24771","S00022583":"23505","S00022584":"19388","S00022585":"27839","S00022586":"29384","S00022587":"23885","S00022588":"31412","S00022589":"37562","S00022590":"22778","S00022591":"31647","S00022592":"34404"},{"Metabolite":"CITRAMALIC ACID (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"40552","S00022585":"17571","S00022586":"","S00022587":"14086","S00022588":"16547","S00022589":"23847","S00022590":"12978","S00022591":"35230","S00022592":"20831"},{"Metabolite":"DEOXYURIDINE (M+CL)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"60788","S00022585":"83249","S00022586":"63547","S00022587":"56248","S00022588":"54319","S00022589":"59201","S00022590":"48404","S00022591":"52050","S00022592":"52793"},{"Metabolite":"DOCOSAHEXAENOIC ACID (M-H)-","S00022575":"1063170","S00022576":"1222965","S00022577":"1115698","S00022578":"978312","S00022579":"911383","S00022580":"872401","S00022581":"855980","S00022582":"798782","S00022583":"815674","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"EPIBRASSINOLIDE [ISTD] (M+CL)-","S00022575":"99628","S00022576":"108764","S00022577":"95038","S00022578":"96267","S00022579":"93233","S00022580":"90153","S00022581":"86642","S00022582":"88543","S00022583":"86010","S00022584":"84910","S00022585":"94179","S00022586":"97066","S00022587":"95494","S00022588":"88924","S00022589":"91599","S00022590":"88910","S00022591":"86966","S00022592":"96789"},{"Metabolite":"ERUCIC ACID (M-H)-","S00022575":"79413","S00022576":"51545","S00022577":"46003","S00022578":"45891","S00022579":"50707","S00022580":"59770","S00022581":"56155","S00022582":"78980","S00022583":"53705","S00022584":"61102","S00022585":"82206","S00022586":"68893","S00022587":"98010","S00022588":"62938","S00022589":"53194","S00022590":"82436","S00022591":"64358","S00022592":"77218"},{"Metabolite":"ETHYLMALONIC ACID (M-H)-","S00022575":"33764","S00022576":"33763","S00022577":"36128","S00022578":"38882","S00022579":"33554","S00022580":"29172","S00022581":"33902","S00022582":"33452","S00022583":"32934","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"FOLIC ACID (M-H)-","S00022575":"520278","S00022576":"618367","S00022577":"487154","S00022578":"500221","S00022579":"517557","S00022580":"488505","S00022581":"506163","S00022582":"483979","S00022583":"483315","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"FUMARIC ACID (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"56584","S00022585":"134849","S00022586":"138324","S00022587":"119242","S00022588":"160381","S00022589":"75166","S00022590":"85352","S00022591":"127665","S00022592":"63046"},{"Metabolite":"GDPMANNOSE (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"14716","S00022585":"23845","S00022586":"22131","S00022587":"16920","S00022588":"25377","S00022589":"27840","S00022590":"9670","S00022591":"12259","S00022592":"28575"},{"Metabolite":"GLUCOSE (M+CL)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"4320087","S00022585":"5219840","S00022586":"4018434","S00022587":"3881959","S00022588":"3468254","S00022589":"3486020","S00022590":"4040388","S00022591":"3997584","S00022592":"3412311"},{"Metabolite":"GLUTAMINE (M-H)-","S00022575":"1922","S00022576":"2421","S00022577":"36088","S00022578":"26808","S00022579":"45344","S00022580":"3726","S00022581":"35904","S00022582":"39431","S00022583":"37349","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"GLUTARIC ACID (M-H)-","S00022575":"60982","S00022576":"65476","S00022577":"62643","S00022578":"52603","S00022579":"44856","S00022580":"64042","S00022581":"68362","S00022582":"53732","S00022583":"43565","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"GLUTATHIONE (OXIDIZED) (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"589064","S00022585":"649944","S00022586":"557902","S00022587":"610034","S00022588":"621096","S00022589":"576884","S00022590":"552799","S00022591":"637235","S00022592":"593589"},{"Metabolite":"GLYCOCHOLIC ACID (M-H)-","S00022575":"86248","S00022576":"94798","S00022577":"80428","S00022578":"77768","S00022579":"100861","S00022580":"98275","S00022581":"82160","S00022582":"82797","S00022583":"80990","S00022584":"16826","S00022585":"25439","S00022586":"19278","S00022587":"14691","S00022588":"15130","S00022589":"16819","S00022590":"14453","S00022591":"16873","S00022592":"17771"},{"Metabolite":"GLYCOLITHOCHOLIC ACID (M-H)-","S00022575":"21585","S00022576":"23923","S00022577":"21858","S00022578":"20341","S00022579":"21119","S00022580":"20715","S00022581":"20942","S00022582":"20444","S00022583":"21198","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"HEPTADECANOIC ACID (M-H)-","S00022575":"52623","S00022576":"49271","S00022577":"50065","S00022578":"49498","S00022579":"51196","S00022580":"45451","S00022581":"52397","S00022582":"46332","S00022583":"52206","S00022584":"33415","S00022585":"33597","S00022586":"39900","S00022587":"25283","S00022588":"35432","S00022589":"36347","S00022590":"23250","S00022591":"37740","S00022592":"38194"},{"Metabolite":"HEXACOSANOIC ACID (M-H)-","S00022575":"5436","S00022576":"4709","S00022577":"3596","S00022578":"4054","S00022579":"4872","S00022580":"4031","S00022581":"5316","S00022582":"5034","S00022583":"4366","S00022584":"2567","S00022585":"","S00022586":"","S00022587":"2534","S00022588":"","S00022589":"2504","S00022590":"2210","S00022591":"2055","S00022592":"1306"},{"Metabolite":"HIPPURIC ACID (M-H)-","S00022575":"2067569","S00022576":"2454246","S00022577":"2067381","S00022578":"2073706","S00022579":"2064255","S00022580":"2085768","S00022581":"1953639","S00022582":"1965903","S00022583":"1963112","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"HOMOVANILLIC ACID (2M-H)-","S00022575":"9368","S00022576":"10834","S00022577":"9190","S00022578":"10147","S00022579":"10585","S00022580":"9072","S00022581":"6235","S00022582":"8946","S00022583":"8785","S00022584":"16797","S00022585":"19388","S00022586":"20704","S00022587":"23364","S00022588":"16249","S00022589":"15099","S00022590":"17075","S00022591":"13944","S00022592":"18963"},{"Metabolite":"HYODEOXYCHOLIC ACID (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"1303315","S00022585":"241431","S00022586":"1328195","S00022587":"1022280","S00022588":"1047593","S00022589":"1176211","S00022590":"836675","S00022591":"1028761","S00022592":"1621069"},{"Metabolite":"KYNURENIC ACID (M-H)-","S00022575":"23985","S00022576":"29271","S00022577":"24705","S00022578":"23067","S00022579":"24442","S00022580":"25080","S00022581":"24194","S00022582":"22950","S00022583":"23127","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"L-ARGININE (M-H)-","S00022575":"8988","S00022576":"9088","S00022577":"9093","S00022578":"4827","S00022579":"10974","S00022580":"1120","S00022581":"9043","S00022582":"8773","S00022583":"9352","S00022584":"33790","S00022585":"36596","S00022586":"34805","S00022587":"29726","S00022588":"32613","S00022589":"38370","S00022590":"33687","S00022591":"33589","S00022592":"31391"},{"Metabolite":"L-HISTIDINE (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"51615","S00022585":"43326","S00022586":"56559","S00022587":"56193","S00022588":"50407","S00022589":"55846","S00022590":"58790","S00022591":"55702","S00022592":"57779"},{"Metabolite":"L-TRYPTOPHAN-15N2 [ISTD] (M-H)-","S00022575":"583247","S00022576":"604895","S00022577":"569837","S00022578":"595421","S00022579":"587778","S00022580":"543057","S00022581":"530536","S00022582":"541706","S00022583":"553801","S00022584":"1054157","S00022585":"1042262","S00022586":"1199083","S00022587":"1151469","S00022588":"1144077","S00022589":"1192217","S00022590":"1136641","S00022591":"1064387","S00022592":"1101216"},{"Metabolite":"L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-","S00022575":"152518","S00022576":"144523","S00022577":"157596","S00022578":"183404","S00022579":"146561","S00022580":"155302","S00022581":"152195","S00022582":"125616","S00022583":"140087","S00022584":"251244","S00022585":"185583","S00022586":"257014","S00022587":"254398","S00022588":"257411","S00022589":"238549","S00022590":"186707","S00022591":"194268","S00022592":"219312"},{"Metabolite":"LAURIC ACID (M-H)-","S00022575":"17274","S00022576":"15737","S00022577":"14696","S00022578":"15227","S00022579":"13567","S00022580":"14018","S00022581":"14803","S00022582":"15170","S00022583":"15162","S00022584":"13418","S00022585":"15098","S00022586":"13491","S00022587":"14564","S00022588":"13017","S00022589":"13787","S00022590":"14381","S00022591":"15701","S00022592":"14868"},{"Metabolite":"LIGNOCERIC ACID (M-H)-","S00022575":"12288","S00022576":"8305","S00022577":"7257","S00022578":"8355","S00022579":"8535","S00022580":"7969","S00022581":"10173","S00022582":"10906","S00022583":"8588","S00022584":"7098","S00022585":"5335","S00022586":"5549","S00022587":"7478","S00022588":"6088","S00022589":"6383","S00022590":"6622","S00022591":"6394","S00022592":"5224"},{"Metabolite":"LINOLEIC ACID (M-H)-","S00022575":"259917","S00022576":"227839","S00022577":"226042","S00022578":"260890","S00022579":"225097","S00022580":"211750","S00022581":"275836","S00022582":"287169","S00022583":"270164","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"LUMICHROME (M-H)-","S00022575":"3715","S00022576":"4055","S00022577":"3538","S00022578":"2816","S00022579":"4009","S00022580":"3832","S00022581":"3806","S00022582":"3899","S00022583":"2594","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"LYSINE (M-H)-","S00022575":"7881","S00022576":"6836","S00022577":"","S00022578":"7450","S00022579":"6358","S00022580":"6794","S00022581":"6906","S00022582":"6826","S00022583":"7549","S00022584":"11171","S00022585":"9760","S00022586":"10290","S00022587":"10706","S00022588":"12890","S00022589":"13544","S00022590":"13875","S00022591":"14175","S00022592":"21026"},{"Metabolite":"MALEIC ACID (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"251457","S00022585":"352291","S00022586":"388048","S00022587":"329297","S00022588":"341458","S00022589":"412958","S00022590":"289181","S00022591":"347412","S00022592":"170922"},{"Metabolite":"MALIC ACID (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"1866134","S00022585":"1724065","S00022586":"2094881","S00022587":"2128462","S00022588":"1929513","S00022589":"2316228","S00022590":"1409217","S00022591":"1537575","S00022592":"2950189"},{"Metabolite":"MANDELIC ACID (M-H)-","S00022575":"7846","S00022576":"14712","S00022577":"11287","S00022578":"12366","S00022579":"12607","S00022580":"12687","S00022581":"9042","S00022582":"10920","S00022583":"12343","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"MANNITOL (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"61467","S00022585":"101234","S00022586":"118800","S00022587":"85634","S00022588":"126345","S00022589":"140722","S00022590":"85304","S00022591":"92444","S00022592":"75839"},{"Metabolite":"METHIONINE (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"66149","S00022585":"72507","S00022586":"61628","S00022587":"63469","S00022588":"24133","S00022589":"64695","S00022590":"61074","S00022591":"58609","S00022592":"63526"},{"Metabolite":"MYRISTIC ACID (M-H)-","S00022575":"103878","S00022576":"98468","S00022577":"92836","S00022578":"100562","S00022579":"97578","S00022580":"97677","S00022581":"103219","S00022582":"104325","S00022583":"102790","S00022584":"86173","S00022585":"97382","S00022586":"89147","S00022587":"92620","S00022588":"91303","S00022589":"84718","S00022590":"99743","S00022591":"91336","S00022592":"89399"},{"Metabolite":"N-ACETYL-ASPARTIC ACID (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"1613362","S00022585":"1506878","S00022586":"1482015","S00022587":"1997850","S00022588":"1135425","S00022589":"1602659","S00022590":"2235371","S00022591":"2870412","S00022592":"2031241"},{"Metabolite":"N-ACETYL-D-GLUCOSAMINE (M+CL)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"8669","S00022585":"","S00022586":"10709","S00022587":"4753","S00022588":"10139","S00022589":"12816","S00022590":"7735","S00022591":"6576","S00022592":"3310"},{"Metabolite":"N-ACETYL-D-TRYPTOPHAN (M-H)-","S00022575":"15315","S00022576":"17009","S00022577":"15627","S00022578":"15936","S00022579":"14785","S00022580":"15036","S00022581":"14715","S00022582":"13839","S00022583":"14943","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"N-ACETYL-DL-METHIONINE (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"33306","S00022585":"37433","S00022586":"31410","S00022587":"32413","S00022588":"40631","S00022589":"46563","S00022590":"27354","S00022591":"34217","S00022592":"27976"},{"Metabolite":"N-ACETYL-L-LEUCINE (M-H)-","S00022575":"8012","S00022576":"6254","S00022577":"6416","S00022578":"6838","S00022579":"6049","S00022580":"4475","S00022581":"4063","S00022582":"4882","S00022583":"6089","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"NAD (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"163483","S00022585":"138573","S00022586":"185593","S00022587":"133779","S00022588":"194611","S00022589":"172239","S00022590":"105649","S00022591":"127526","S00022592":"133916"},{"Metabolite":"OLEIC ACID (M-H)-","S00022575":"1021491","S00022576":"701708","S00022577":"693133","S00022578":"689516","S00022579":"644299","S00022580":"570368","S00022581":"732506","S00022582":"601414","S00022583":"692955","S00022584":"218212","S00022585":"287462","S00022586":"242047","S00022587":"523528","S00022588":"215846","S00022589":"223842","S00022590":"525317","S00022591":"274865","S00022592":"302546"},{"Metabolite":"OPHTHALMIC ACID (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"11243","S00022585":"","S00022586":"11692","S00022587":"15543","S00022588":"9513","S00022589":"9549","S00022590":"8793","S00022591":"13900","S00022592":"15436"},{"Metabolite":"PALMITIC ACID (M-H)-","S00022575":"374213","S00022576":"453171","S00022577":"460013","S00022578":"446175","S00022579":"448278","S00022580":"412027","S00022581":"434463","S00022582":"428041","S00022583":"447500","S00022584":"347100","S00022585":"337555","S00022586":"381437","S00022587":"327380","S00022588":"381377","S00022589":"362356","S00022590":"343688","S00022591":"392098","S00022592":"381072"},{"Metabolite":"PALMITOLEIC ACID (M-H)-","S00022575":"182996","S00022576":"148843","S00022577":"154394","S00022578":"150268","S00022579":"149620","S00022580":"122012","S00022581":"168581","S00022582":"175199","S00022583":"158240","S00022584":"85433","S00022585":"122221","S00022586":"97423","S00022587":"91114","S00022588":"86702","S00022589":"99546","S00022590":"127459","S00022591":"118802","S00022592":"112856"},{"Metabolite":"PANTOTHENIC ACID (M+CL)-","S00022575":"263655","S00022576":"319060","S00022577":"496626","S00022578":"518758","S00022579":"502520","S00022580":"513299","S00022581":"262876","S00022582":"468364","S00022583":"462430","S00022584":"507714","S00022585":"700010","S00022586":"689344","S00022587":"480451","S00022588":"626929","S00022589":"646813","S00022590":"399583","S00022591":"524172","S00022592":"564677"},{"Metabolite":"PANTOTHENIC ACID (M-H)-","S00022575":"4516397","S00022576":"4898755","S00022577":"4509424","S00022578":"4619733","S00022579":"4725878","S00022580":"4624357","S00022581":"4237477","S00022582":"4308895","S00022583":"4182138","S00022584":"20500000","S00022585":"27200000","S00022586":"28100000","S00022587":"20100000","S00022588":"26200000","S00022589":"28200000","S00022590":"17700000","S00022591":"13200000","S00022592":"23900000"},{"Metabolite":"PHENYLALANINE (M-H)-","S00022575":"6262794","S00022576":"6531399","S00022577":"5917926","S00022578":"6238340","S00022579":"6255347","S00022580":"5794666","S00022581":"5905656","S00022582":"5957717","S00022583":"6016042","S00022584":"1998810","S00022585":"2715525","S00022586":"2134940","S00022587":"1841409","S00022588":"1950342","S00022589":"2221266","S00022590":"1743357","S00022591":"2019514","S00022592":"2055618"},{"Metabolite":"PHOSPHOCREATINE (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"36049","S00022585":"48909","S00022586":"52423","S00022587":"31407","S00022588":"21484","S00022589":"22161","S00022590":"41652","S00022591":"41937","S00022592":"47230"},{"Metabolite":"PHTHALIC ACID (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"78835","S00022579":"76906","S00022580":"79481","S00022581":"115376","S00022582":"115051","S00022583":"112256","S00022584":"","S00022585":"","S00022586":"","S00022587":"10723","S00022588":"12307","S00022589":"14791","S00022590":"18231","S00022591":"19620","S00022592":"21557"},{"Metabolite":"PHYTANIC ACID (M-H)-","S00022575":"11509","S00022576":"","S00022577":"4184","S00022578":"3274","S00022579":"","S00022580":"1448","S00022581":"3007","S00022582":"3463","S00022583":"4041","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"PIMELIC ACID (M-H)-","S00022575":"66250","S00022576":"77848","S00022577":"70041","S00022578":"68844","S00022579":"69971","S00022580":"68491","S00022581":"62913","S00022582":"64725","S00022583":"65680","S00022584":"15099","S00022585":"23528","S00022586":"14962","S00022587":"26383","S00022588":"15830","S00022589":"11343","S00022590":"9439","S00022591":"20100","S00022592":"22293"},{"Metabolite":"PYRIDOXINE (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"74671","S00022585":"94927","S00022586":"64138","S00022587":"57110","S00022588":"71874","S00022589":"68979","S00022590":"44292","S00022591":"56548","S00022592":"53228"},{"Metabolite":"RIBOFLAVIN (M+CL)-","S00022575":"62545","S00022576":"73625","S00022577":"53632","S00022578":"56520","S00022579":"60071","S00022580":"55699","S00022581":"52483","S00022582":"53562","S00022583":"54633","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"RIBOFLAVIN (M-H)-","S00022575":"88740","S00022576":"93227","S00022577":"76370","S00022578":"82575","S00022579":"81168","S00022580":"80402","S00022581":"78913","S00022582":"76588","S00022583":"82110","S00022584":"4193","S00022585":"5116","S00022586":"4233","S00022587":"3509","S00022588":"2685","S00022589":"4448","S00022590":"3042","S00022591":"3585","S00022592":"7681"},{"Metabolite":"SALICYLATE #2 (M-H)-","S00022575":"15414","S00022576":"15162","S00022577":"17438","S00022578":"19198","S00022579":"14086","S00022580":"14630","S00022581":"11317","S00022582":"12849","S00022583":"14646","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"SALICYLURIC ACID (M-H)-","S00022575":"12944","S00022576":"14669","S00022577":"13087","S00022578":"14196","S00022579":"12657","S00022580":"13616","S00022581":"13439","S00022582":"13143","S00022583":"13440","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"SEBACIC ACID (M-H)-","S00022575":"15942","S00022576":"12386","S00022577":"11229","S00022578":"15918","S00022579":"14337","S00022580":"9577","S00022581":"14445","S00022582":"11850","S00022583":"12929","S00022584":"10498","S00022585":"16253","S00022586":"16135","S00022587":"18982","S00022588":"13209","S00022589":"12977","S00022590":"14034","S00022591":"15840","S00022592":"18567"},{"Metabolite":"STACHYOSE (M-H)-","S00022575":"1705","S00022576":"2141","S00022577":"1943","S00022578":"1630","S00022579":"2630","S00022580":"2264","S00022581":"2587","S00022582":"","S00022583":"2099","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"STEARIC ACID (M-H)-","S00022575":"402169","S00022576":"539540","S00022577":"631794","S00022578":"486039","S00022579":"574691","S00022580":"475075","S00022581":"599593","S00022582":"474008","S00022583":"488419","S00022584":"497744","S00022585":"390422","S00022586":"490449","S00022587":"431642","S00022588":"571162","S00022589":"513043","S00022590":"410996","S00022591":"496467","S00022592":"453253"},{"Metabolite":"SUBERIC ACID (M-H)-","S00022575":"43266","S00022576":"47515","S00022577":"41281","S00022578":"42770","S00022579":"42120","S00022580":"32837","S00022581":"37865","S00022582":"37372","S00022583":"41467","S00022584":"29212","S00022585":"34367","S00022586":"31116","S00022587":"70199","S00022588":"25222","S00022589":"29710","S00022590":"28642","S00022591":"56079","S00022592":"49337"},{"Metabolite":"TAURINE (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"77793","S00022585":"83518","S00022586":"114012","S00022587":"85316","S00022588":"106379","S00022589":"126677","S00022590":"90057","S00022591":"82653","S00022592":"85906"},{"Metabolite":"THYMIDINE (M+CL)-","S00022575":"898995","S00022576":"840722","S00022577":"794133","S00022578":"911553","S00022579":"827479","S00022580":"769245","S00022581":"846393","S00022582":"815018","S00022583":"400115","S00022584":"236718","S00022585":"282163","S00022586":"224897","S00022587":"199018","S00022588":"191767","S00022589":"204188","S00022590":"187550","S00022591":"216368","S00022592":"227042"},{"Metabolite":"THYMIDINE (M-H)-","S00022575":"116255","S00022576":"96116","S00022577":"95917","S00022578":"112344","S00022579":"94104","S00022580":"94852","S00022581":"112922","S00022582":"104012","S00022583":"109091","S00022584":"50453","S00022585":"57718","S00022586":"47440","S00022587":"44178","S00022588":"41722","S00022589":"48462","S00022590":"47952","S00022591":"48926","S00022592":"48542"},{"Metabolite":"THYROXINE (M-H)-","S00022575":"5414","S00022576":"5906","S00022577":"5213","S00022578":"5125","S00022579":"5068","S00022580":"5024","S00022581":"4956","S00022582":"4823","S00022583":"5118","S00022584":"1562","S00022585":"2784","S00022586":"2157","S00022587":"","S00022588":"2452","S00022589":"2542","S00022590":"2131","S00022591":"2291","S00022592":""},{"Metabolite":"TRICARBALLYLIC ACID (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"","S00022585":"37049","S00022586":"39690","S00022587":"24979","S00022588":"14962","S00022589":"17735","S00022590":"16752","S00022591":"25433","S00022592":"30398"},{"Metabolite":"TRYPTOPHAN (M-H)-","S00022575":"3109682","S00022576":"3339535","S00022577":"3010984","S00022578":"3177426","S00022579":"3186946","S00022580":"2933982","S00022581":"2845651","S00022582":"2872368","S00022583":"2937748","S00022584":"","S00022585":"","S00022586":"","S00022587":"","S00022588":"","S00022589":"","S00022590":"","S00022591":"","S00022592":""},{"Metabolite":"TYROSINE (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"685379","S00022585":"816658","S00022586":"707791","S00022587":"657575","S00022588":"684520","S00022589":"709045","S00022590":"594766","S00022591":"647708","S00022592":"642587"},{"Metabolite":"UDP-N-ACETYL-D-GALACTOSAMINE (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"115772","S00022585":"218402","S00022586":"382455","S00022587":"331151","S00022588":"366064","S00022589":"399602","S00022590":"280876","S00022591":"383953","S00022592":"451562"},{"Metabolite":"XANTHINE (M-H)-","S00022575":"","S00022576":"","S00022577":"","S00022578":"","S00022579":"","S00022580":"","S00022581":"","S00022582":"","S00022583":"","S00022584":"198442","S00022585":"259253","S00022586":"197231","S00022587":"169791","S00022588":"176525","S00022589":"190401","S00022590":"144498","S00022591":"169400","S00022592":"174021"},{"Metabolite":"ZEATIN [ISTD] (M+CL)-","S00022575":"212536","S00022576":"220746","S00022577":"216364","S00022578":"218280","S00022579":"217085","S00022580":"213223","S00022581":"204032","S00022582":"208457","S00022583":"212574","S00022584":"191575","S00022585":"187149","S00022586":"192816","S00022587":"186158","S00022588":"191863","S00022589":"183211","S00022590":"181438","S00022591":"180512","S00022592":"187551"},{"Metabolite":"ZEATIN [ISTD] (M-H)-","S00022575":"265108","S00022576":"250285","S00022577":"261127","S00022578":"276423","S00022579":"262958","S00022580":"257412","S00022581":"257898","S00022582":"267399","S00022583":"258943","S00022584":"326738","S00022585":"320556","S00022586":"310964","S00022587":"314377","S00022588":"353584","S00022589":"329832","S00022590":"322885","S00022591":"316850","S00022592":"305349"}],

"Metabolites":[{"Metabolite":"16:0 LYSO PC (M+CL)-","moverz_quant":"495.3308","ri":"22.36","ri_type":"","pubchem_id":"460602","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"18:0 LYSO-PE (M-H)-","moverz_quant":"481.3166","ri":"22.64","ri_type":"","pubchem_id":"9547068","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-","moverz_quant":"118.0625","ri":"3.44","ri_type":"","pubchem_id":"853180","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2-HYDROXYBUTYRIC ACID (M-H)-","moverz_quant":"104.0469","ri":"1.7","ri_type":"","pubchem_id":"11266","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2-METHYLMALEIC ACID (M-H)-","moverz_quant":"130.0265","ri":"1.81","ri_type":"","pubchem_id":"643798","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-","moverz_quant":"182.0579","ri":"3.76","ri_type":"","pubchem_id":"440177","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-","moverz_quant":"162.0523","ri":"1.64","ri_type":"","pubchem_id":"1662","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-HYDROXYBENZOIC ACID (M-H)-","moverz_quant":"138.0316","ri":"5.06","ri_type":"","pubchem_id":"7420","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-HYDROXYBENZOIC ACID (M-H)-","moverz_quant":"138.0316","ri":"4.12","ri_type":"","pubchem_id":"135","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-NITROPHENOL (M-H)-","moverz_quant":"139.0269","ri":"7.03","ri_type":"","pubchem_id":"980","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-PYRIDOXIC ACID (M-H)-","moverz_quant":"183.0528","ri":"1.93","ri_type":"","pubchem_id":"6723","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5'-METHYLTHIOADENOSINE (M+CL)-","moverz_quant":"297.0895","ri":"4.52","ri_type":"","pubchem_id":"439176","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5-HYDROXYINDOLEACETIC ACID (M-H)-","moverz_quant":"191.0574","ri":"4.3","ri_type":"","pubchem_id":"1826","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5-OXOPROLINE (M-H)-","moverz_quant":"129.0426","ri":"1.21","ri_type":"","pubchem_id":"7405","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ACETOACETIC ACID (M-H)-","moverz_quant":"102.0314","ri":"2.83","ri_type":"","pubchem_id":"96","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ADIPIC ACID (M-H)-","moverz_quant":"146.0581","ri":"3.55","ri_type":"","pubchem_id":"196","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ALLANTOIN (M-H)-","moverz_quant":"158.0428","ri":"0.72","ri_type":"","pubchem_id":"439714","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ARACHIDONIC ACID (M-H)-","moverz_quant":"304.2406","ri":"22.76","ri_type":"","pubchem_id":"444899","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"AZELAIC ACID (M-H)-","moverz_quant":"188.1048","ri":"10.67","ri_type":"","pubchem_id":"2266","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BEHENIC ACID (M-H)-","moverz_quant":"340.3336","ri":"24.11","ri_type":"","pubchem_id":"8215","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BENZOIC ACID #2 (M-H)-","moverz_quant":"122.0366","ri":"8.24","ri_type":"","pubchem_id":"243","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BENZOIC ACID (M-H)-","moverz_quant":"122.0365","ri":"4.97","ri_type":"","pubchem_id":"243","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BILIVERDIN (M-H)-","moverz_quant":"582.2494","ri":"18.61","ri_type":"","pubchem_id":"5280353","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BIOTIN (M-H)-","moverz_quant":"244.0881","ri":"6.24","ri_type":"","pubchem_id":"11966127","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CITRAMALIC ACID (M-H)-","moverz_quant":"148.0373","ri":"1.44","ri_type":"","pubchem_id":"441696","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DEOXYURIDINE (M+CL)-","moverz_quant":"228.0751","ri":"1.61","ri_type":"","pubchem_id":"13712","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DOCOSAHEXAENOIC ACID (M-H)-","moverz_quant":"328.2411","ri":"22.74","ri_type":"","pubchem_id":"445580","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"EPIBRASSINOLIDE [ISTD] (M+CL)-","moverz_quant":"480.3446","ri":"19.8","ri_type":"","pubchem_id":"115196","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ERUCIC ACID (M-H)-","moverz_quant":"338.3185","ri":"23.7","ri_type":"","pubchem_id":"5281116","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ETHYLMALONIC ACID (M-H)-","moverz_quant":"132.0423","ri":"2.76","ri_type":"","pubchem_id":"11756","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"FOLIC ACID (M-H)-","moverz_quant":"441.1396","ri":"5.85","ri_type":"","pubchem_id":"6037","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"FUMARIC ACID (M-H)-","moverz_quant":"116.0108","ri":"1.3","ri_type":"","pubchem_id":"444972","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GDPMANNOSE (M-H)-","moverz_quant":"605.0791","ri":"0.83","ri_type":"","pubchem_id":"18396","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUCOSE (M+CL)-","moverz_quant":"180.0665","ri":"0.69","ri_type":"","pubchem_id":"5793","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUTAMINE (M-H)-","moverz_quant":"146.0694","ri":"0.68","ri_type":"","pubchem_id":"5961","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUTARIC ACID (M-H)-","moverz_quant":"132.042","ri":"2.06","ri_type":"","pubchem_id":"743","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUTATHIONE (OXIDIZED) (M-H)-","moverz_quant":"612.1524","ri":"1.38","ri_type":"","pubchem_id":"65359","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOCHOLIC ACID (M-H)-","moverz_quant":"465.3086","ri":"18.83","ri_type":"","pubchem_id":"10140","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOLITHOCHOLIC ACID (M-H)-","moverz_quant":"433.3201","ri":"21.59","ri_type":"","pubchem_id":"115245","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HEPTADECANOIC ACID (M-H)-","moverz_quant":"270.2557","ri":"23.06","ri_type":"","pubchem_id":"10465","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HEXACOSANOIC ACID (M-H)-","moverz_quant":"396.3955","ri":"25.6","ri_type":"","pubchem_id":"10469","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HIPPURIC ACID (M-H)-","moverz_quant":"179.0584","ri":"4.75","ri_type":"","pubchem_id":"464","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HOMOVANILLIC ACID (2M-H)-","moverz_quant":"182.0586","ri":"5.68","ri_type":"","pubchem_id":"1738","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HYODEOXYCHOLIC ACID (M-H)-","moverz_quant":"392.2957","ri":"22.84","ri_type":"","pubchem_id":"5283820","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"KYNURENIC ACID (M-H)-","moverz_quant":"189.0422","ri":"4.94","ri_type":"","pubchem_id":"3845","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-ARGININE (M-H)-","moverz_quant":"174.1113","ri":"0.68","ri_type":"","pubchem_id":"6322","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-HISTIDINE (M-H)-","moverz_quant":"155.0691","ri":"0.67","ri_type":"","pubchem_id":"6274","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-TRYPTOPHAN-15N2 [ISTD] (M-H)-","moverz_quant":"206.0842","ri":"3.63","ri_type":"","pubchem_id":"16217285","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-","moverz_quant":"138.0446","ri":"5.33","ri_type":"","pubchem_id":"227","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LAURIC ACID (M-H)-","moverz_quant":"200.1773","ri":"21.79","ri_type":"","pubchem_id":"3893","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LIGNOCERIC ACID (M-H)-","moverz_quant":"368.365","ri":"24.74","ri_type":"","pubchem_id":"11197","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LINOLEIC ACID (M-H)-","moverz_quant":"280.2403","ri":"22.77","ri_type":"","pubchem_id":"5280450","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LUMICHROME (M-H)-","moverz_quant":"242.0813","ri":"10.94","ri_type":"","pubchem_id":"5326566","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LYSINE (M-H)-","moverz_quant":"146.1049","ri":"0.64","ri_type":"","pubchem_id":"5962","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MALEIC ACID (M-H)-","moverz_quant":"116.0112","ri":"0.99","ri_type":"","pubchem_id":"444266","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MALIC ACID (M-H)-","moverz_quant":"134.0216","ri":"0.88","ri_type":"","pubchem_id":"222656","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MANDELIC ACID (M-H)-","moverz_quant":"152.0469","ri":"5.56","ri_type":"","pubchem_id":"11914","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MANNITOL (M-H)-","moverz_quant":"182.0782","ri":"0.71","ri_type":"","pubchem_id":"6251","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"METHIONINE (M-H)-","moverz_quant":"149.0498","ri":"1.01","ri_type":"","pubchem_id":"6137","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MYRISTIC ACID (M-H)-","moverz_quant":"228.2088","ri":"22.5","ri_type":"","pubchem_id":"11005","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-ASPARTIC ACID (M-H)-","moverz_quant":"175.0478","ri":"1.04","ri_type":"","pubchem_id":"65065","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-D-GLUCOSAMINE (M+CL)-","moverz_quant":"221.0902","ri":"0.74","ri_type":"","pubchem_id":"446101","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-D-TRYPTOPHAN (M-H)-","moverz_quant":"246.1004","ri":"7.92","ri_type":"","pubchem_id":"439917","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-DL-METHIONINE (M-H)-","moverz_quant":"191.0607","ri":"4.01","ri_type":"","pubchem_id":"448580","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-L-LEUCINE (M-H)-","moverz_quant":"173.1047","ri":"7.06","ri_type":"","pubchem_id":"75619","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NAD (M-H)-","moverz_quant":"663.1092","ri":"1.08","ri_type":"","pubchem_id":"5893","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OLEIC ACID (M-H)-","moverz_quant":"282.2564","ri":"22.98","ri_type":"","pubchem_id":"445639","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OPHTHALMIC ACID (M-H)-","moverz_quant":"289.1241","ri":"1.23","ri_type":"","pubchem_id":"7018721","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PALMITIC ACID (M-H)-","moverz_quant":"256.2404","ri":"22.9","ri_type":"","pubchem_id":"985","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PALMITOLEIC ACID (M-H)-","moverz_quant":"254.2246","ri":"22.63","ri_type":"","pubchem_id":"445638","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PANTOTHENIC ACID (M+CL)-","moverz_quant":"219.1102","ri":"3.23","ri_type":"","pubchem_id":"6613","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PANTOTHENIC ACID (M-H)-","moverz_quant":"219.111","ri":"3.23","ri_type":"","pubchem_id":"6613","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PHENYLALANINE (M-H)-","moverz_quant":"165.0793","ri":"2.5","ri_type":"","pubchem_id":"6140","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PHOSPHOCREATINE (M-H)-","moverz_quant":"211.0357","ri":"0.84","ri_type":"","pubchem_id":"9548602","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PHTHALIC ACID (M-H)-","moverz_quant":"166.0274","ri":"4.75","ri_type":"","pubchem_id":"1017","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PHYTANIC ACID (M-H)-","moverz_quant":"312.3014","ri":"23.31","ri_type":"","pubchem_id":"10380830","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PIMELIC ACID (M-H)-","moverz_quant":"160.0732","ri":"5.62","ri_type":"","pubchem_id":"385","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PYRIDOXINE (M-H)-","moverz_quant":"169.0717","ri":"1.15","ri_type":"","pubchem_id":"1054","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"RIBOFLAVIN (M+CL)-","moverz_quant":"376.1381","ri":"7.65","ri_type":"","pubchem_id":"493570","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"RIBOFLAVIN (M-H)-","moverz_quant":"376.1381","ri":"7.65","ri_type":"","pubchem_id":"493570","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SALICYLATE #2 (M-H)-","moverz_quant":"138.032","ri":"8.1","ri_type":"","pubchem_id":"338","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SALICYLURIC ACID (M-H)-","moverz_quant":"195.0537","ri":"6.18","ri_type":"","pubchem_id":"10253","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SEBACIC ACID (M-H)-","moverz_quant":"202.1206","ri":"12.91","ri_type":"","pubchem_id":"5192","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"STACHYOSE (M-H)-","moverz_quant":"666.2112","ri":"0.7","ri_type":"","pubchem_id":"439531","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"STEARIC ACID (M-H)-","moverz_quant":"284.2719","ri":"23.22","ri_type":"","pubchem_id":"5281","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SUBERIC ACID (M-H)-","moverz_quant":"174.0888","ri":"8.17","ri_type":"","pubchem_id":"10457","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TAURINE (M-H)-","moverz_quant":"125.0146","ri":"0.66","ri_type":"","pubchem_id":"1123","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THYMIDINE (M+CL)-","moverz_quant":"242.0904","ri":"2.74","ri_type":"","pubchem_id":"5789","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THYMIDINE (M-H)-","moverz_quant":"242.0898","ri":"2.73","ri_type":"","pubchem_id":"5789","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THYROXINE (M-H)-","moverz_quant":"776.6896","ri":"16.27","ri_type":"","pubchem_id":"5819","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TRICARBALLYLIC ACID (M-H)-","moverz_quant":"176.0343","ri":"1.36","ri_type":"","pubchem_id":"14925","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TRYPTOPHAN (M-H)-","moverz_quant":"204.0877","ri":"3.63","ri_type":"","pubchem_id":"6305","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TYROSINE (M-H)-","moverz_quant":"181.0735","ri":"1.38","ri_type":"","pubchem_id":"6057","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"UDP-N-ACETYL-D-GALACTOSAMINE (M-H)-","moverz_quant":"607.0821","ri":"0.93","ri_type":"","pubchem_id":"23724461","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"XANTHINE (M-H)-","moverz_quant":"152.0331","ri":"1.32","ri_type":"","pubchem_id":"1188","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ZEATIN [ISTD] (M+CL)-","moverz_quant":"219.1118","ri":"3.95","ri_type":"","pubchem_id":"449093","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ZEATIN [ISTD] (M-H)-","moverz_quant":"219.1119","ri":"3.95","ri_type":"","pubchem_id":"449093","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""}]
}

}