{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000741","ANALYSIS_ID":"AN001156","VERSION":"1","CREATED_ON":"July 3, 2017, 1:46 pm"},

"PROJECT":{"PROJECT_TITLE":"Metabolite-phenotype link in X-linked Adrenoleukodystrophy","PROJECT_TYPE":"MS analysis","PROJECT_SUMMARY":"Untargeted metabolomics of control, AMN and ALD patient-derived fibroblasts","INSTITUTE":"Henry Ford Health System","DEPARTMENT":"Neurology","LABORATORY":"Singh Lab","LAST_NAME":"Singh","FIRST_NAME":"Jaspreet","ADDRESS":"Detroit, MI","EMAIL":"jsingh2@hfhs.org","PHONE":"313-916-7725"},

"STUDY":{"STUDY_TITLE":"Metabolite-phenotype link in X-linked Adrenoleukodystrophy (fibroblast cell culture)","STUDY_TYPE":"MS analysis","STUDY_SUMMARY":"Untargeted metabolomics of control, AMN and ALD patient-derived fibroblasts. Fibroblasts cultured in DMEM with 15%FBS and antibiotic (pen/strep) in 100mm petridishes (1million/dish). After 24h cultures supplemented with fresh media (DMEM+15%FBS+antibiotic) for 3hr","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":"4","TOTAL_SUBJECTS":"2"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"SU0005145",
"Sample ID":"S00016570",
"Factors":{"subject type":"Healthy control"}
},
{
"Subject ID":"SU0005145",
"Sample ID":"S00016571",
"Factors":{"subject type":"Healthy control"}
},
{
"Subject ID":"SU0005145",
"Sample ID":"S00016572",
"Factors":{"subject type":"Healthy control"}
},
{
"Subject ID":"SU0005145",
"Sample ID":"S00016573",
"Factors":{"subject type":"Healthy control"}
},
{
"Subject ID":"SU0005145",
"Sample ID":"S00016574",
"Factors":{"subject type":"Healthy control"}
},
{
"Subject ID":"SU0005145",
"Sample ID":"S00016575",
"Factors":{"subject type":"Healthy control"}
},
{
"Subject ID":"SU0005145",
"Sample ID":"S00016576",
"Factors":{"subject type":"Mild disease"}
},
{
"Subject ID":"SU0005145",
"Sample ID":"S00016577",
"Factors":{"subject type":"Mild disease"}
},
{
"Subject ID":"SU0005145",
"Sample ID":"S00016578",
"Factors":{"subject type":"Mild disease"}
},
{
"Subject ID":"SU0005145",
"Sample ID":"S00016579",
"Factors":{"subject type":"Mild disease"}
},
{
"Subject ID":"SU0005145",
"Sample ID":"S00016580",
"Factors":{"subject type":"Mild disease"}
},
{
"Subject ID":"SU0005145",
"Sample ID":"S00016581",
"Factors":{"subject type":"Mild disease"}
},
{
"Subject ID":"SU0005145",
"Sample ID":"S00016582",
"Factors":{"subject type":"Severe disease"}
},
{
"Subject ID":"SU0005145",
"Sample ID":"S00016583",
"Factors":{"subject type":"Severe disease"}
},
{
"Subject ID":"SU0005145",
"Sample ID":"S00016584",
"Factors":{"subject type":"Severe disease"}
},
{
"Subject ID":"SU0005145",
"Sample ID":"S00016585",
"Factors":{"subject type":"Severe disease"}
},
{
"Subject ID":"SU0005145",
"Sample ID":"S00016586",
"Factors":{"subject type":"Severe disease"}
},
{
"Subject ID":"SU0005145",
"Sample ID":"S00016587",
"Factors":{"subject type":"Severe disease"}
},
{
"Subject ID":"SU9999996",
"Sample ID":"S00017166",
"Factors":{"subject type":"POOLED"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"-"},

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

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

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

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

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

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

"Data":[{"Metabolite":"(2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"1850","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"3633","S00016586":"","S00016587":"2034"},{"Metabolite":"(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR L-MIMOSINE (CAS# 500-44-7); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"1404","S00016583":"2168","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"1-(4-HYDROXYPHENYL)-2-AMINOETHANOL (CAS# 104-14-3); (M+H)+[-H2O]","S00016570":"1817","S00016571":"1239","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"1124","S00016577":"2147","S00016578":"4683","S00016579":"1448","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8); (M+H)+","S00016570":"121633","S00016571":"128107","S00016572":"316881","S00016573":"345973","S00016574":"","S00016575":"","S00016576":"","S00016577":"279123","S00016578":"325294","S00016579":"291114","S00016580":"300513","S00016581":"","S00016582":"","S00016583":"311570","S00016584":"","S00016585":"279186","S00016586":"89288","S00016587":"312094"},{"Metabolite":"1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"4781","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"4518","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"1-METHYLNICOTINAMIDE (CAS# ); M+","S00016570":"4687913","S00016571":"4668854","S00016572":"4719759","S00016573":"6301557","S00016574":"5713565","S00016575":"4960675","S00016576":"3645924","S00016577":"3922537","S00016578":"4180879","S00016579":"2765227","S00016580":"2752228","S00016581":"2810806","S00016582":"5173599","S00016583":"5065990","S00016584":"4852532","S00016585":"2847744","S00016586":"3168369","S00016587":"3374349"},{"Metabolite":"1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O]","S00016570":"117575","S00016571":"9509","S00016572":"","S00016573":"135401","S00016574":"128085","S00016575":"140525","S00016576":"","S00016577":"11439","S00016578":"19920","S00016579":"","S00016580":"104514","S00016581":"77990","S00016582":"66862","S00016583":"202884","S00016584":"132572","S00016585":"7787","S00016586":"116963","S00016587":"10615"},{"Metabolite":"1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+","S00016570":"134914","S00016571":"97458","S00016572":"169981","S00016573":"101868","S00016574":"93540","S00016575":"76528","S00016576":"134023","S00016577":"24516","S00016578":"84694","S00016579":"81592","S00016580":"76344","S00016581":"78282","S00016582":"88469","S00016583":"140132","S00016584":"103252","S00016585":"170858","S00016586":"186812","S00016587":"129041"},{"Metabolite":"1-PHENYLETHANOL (CAS# 1445-91-6); (M+H)+[-H2O]","S00016570":"2972","S00016571":"5230","S00016572":"4473","S00016573":"2978","S00016574":"1953","S00016575":"","S00016576":"","S00016577":"4200","S00016578":"3816","S00016579":"3056","S00016580":"1840","S00016581":"","S00016582":"6452","S00016583":"7556","S00016584":"5518","S00016585":"3853","S00016586":"3204","S00016587":"4179"},{"Metabolite":"16:0 LYSO PC (CAS# 17364-16-8); (M+H)+","S00016570":"87474","S00016571":"105986","S00016572":"29147","S00016573":"64437","S00016574":"55122","S00016575":"58061","S00016576":"133266","S00016577":"133740","S00016578":"80055","S00016579":"56083","S00016580":"64704","S00016581":"67099","S00016582":"53639","S00016583":"152183","S00016584":"73040","S00016585":"102685","S00016586":"76816","S00016587":"81369"},{"Metabolite":"16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+","S00016570":"451703","S00016571":"876615","S00016572":"792311","S00016573":"403552","S00016574":"339959","S00016575":"347498","S00016576":"887303","S00016577":"709972","S00016578":"443596","S00016579":"325937","S00016580":"318263","S00016581":"334188","S00016582":"359997","S00016583":"1504770","S00016584":"531678","S00016585":"679373","S00016586":"597648","S00016587":"536746"},{"Metabolite":"16:0-18:0 PC (CAS# 59403-51-9); (M+H)+","S00016570":"6267","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"7563","S00016586":"","S00016587":""},{"Metabolite":"16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+","S00016570":"","S00016571":"45070","S00016572":"","S00016573":"","S00016574":"61541","S00016575":"176907","S00016576":"125580","S00016577":"168085","S00016578":"159995","S00016579":"","S00016580":"17723","S00016581":"","S00016582":"79854","S00016583":"52955","S00016584":"126808","S00016585":"107986","S00016586":"","S00016587":"26230"},{"Metabolite":"18:0 LYSO-PE (CAS# 69747-55-3); (2M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"1056","S00016579":"","S00016580":"1802","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"70410","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"37962","S00016586":"","S00016587":""},{"Metabolite":"18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+","S00016570":"37861","S00016571":"43023","S00016572":"32778","S00016573":"30422","S00016574":"","S00016575":"29237","S00016576":"33291","S00016577":"31993","S00016578":"","S00016579":"33460","S00016580":"30046","S00016581":"","S00016582":"29117","S00016583":"53964","S00016584":"29151","S00016585":"41338","S00016586":"28268","S00016587":"29858"},{"Metabolite":"2'-DEOXYINOSINE (CAS# 890-38-0); (2M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"5546","S00016574":"","S00016575":"1924","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"2'-DEOXYINOSINE (CAS# 890-38-0); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"1669","S00016576":"","S00016577":"","S00016578":"1495","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"2'-DEOXYINOSINE (CAS# 890-38-0); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"2396","S00016575":"","S00016576":"","S00016577":"","S00016578":"5035","S00016579":"","S00016580":"2195","S00016581":"1757","S00016582":"","S00016583":"","S00016584":"","S00016585":"2387","S00016586":"","S00016587":"2347"},{"Metabolite":"2-(DIPHENYLMETHOXY)-N-METHYLETHYLAMINE (CAS# 17471-10-2); (M+H)+","S00016570":"1795","S00016571":"","S00016572":"1401","S00016573":"","S00016574":"1879","S00016575":"1364","S00016576":"","S00016577":"","S00016578":"1160","S00016579":"","S00016580":"","S00016581":"","S00016582":"2595","S00016583":"","S00016584":"1443","S00016585":"2087","S00016586":"","S00016587":""},{"Metabolite":"2-HYDROXYPYRIDINE (CAS# 142-08-5); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"2400","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+","S00016570":"61467","S00016571":"55176","S00016572":"","S00016573":"","S00016574":"36887","S00016575":"32150","S00016576":"","S00016577":"","S00016578":"","S00016579":"57119","S00016580":"57749","S00016581":"69784","S00016582":"","S00016583":"","S00016584":"53708","S00016585":"","S00016586":"","S00016587":"59968"},{"Metabolite":"2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2O]","S00016570":"372467","S00016571":"347968","S00016572":"","S00016573":"","S00016574":"266862","S00016575":"226038","S00016576":"328696","S00016577":"358026","S00016578":"374782","S00016579":"234482","S00016580":"243194","S00016581":"227238","S00016582":"241091","S00016583":"226606","S00016584":"1781","S00016585":"395969","S00016586":"447961","S00016587":""},{"Metabolite":"20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+","S00016570":"","S00016571":"7419","S00016572":"","S00016573":"","S00016574":"19653","S00016575":"34258","S00016576":"","S00016577":"","S00016578":"26252","S00016579":"","S00016580":"27448","S00016581":"14422","S00016582":"10985","S00016583":"","S00016584":"47282","S00016585":"27012","S00016586":"31979","S00016587":""},{"Metabolite":"24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"18534","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"1337","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"624326","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"135347","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+H)+[-H2O]","S00016570":"","S00016571":"23621","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"8340","S00016577":"42854","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"33401","S00016584":"","S00016585":"2079","S00016586":"","S00016587":""},{"Metabolite":"25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":"1060"},{"Metabolite":"3'-CMP (CAS# 63-37-6); (M+H)+","S00016570":"32662","S00016571":"25697","S00016572":"31141","S00016573":"36874","S00016574":"30803","S00016575":"32673","S00016576":"","S00016577":"","S00016578":"32871","S00016579":"","S00016580":"5035","S00016581":"","S00016582":"35249","S00016583":"25125","S00016584":"25490","S00016585":"36044","S00016586":"33397","S00016587":"31155"},{"Metabolite":"3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+NA)+","S00016570":"1883","S00016571":"","S00016572":"3348","S00016573":"2039","S00016574":"","S00016575":"","S00016576":"2497","S00016577":"","S00016578":"2255","S00016579":"5387","S00016580":"1505","S00016581":"5456","S00016582":"1860","S00016583":"1017","S00016584":"1132","S00016585":"1143","S00016586":"","S00016587":"1666"},{"Metabolite":"3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"1448","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O]","S00016570":"3540","S00016571":"1689","S00016572":"2764","S00016573":"","S00016574":"","S00016575":"","S00016576":"4926","S00016577":"3837","S00016578":"","S00016579":"3343","S00016580":"3598","S00016581":"","S00016582":"1584","S00016583":"2867","S00016584":"","S00016585":"","S00016586":"2565","S00016587":"2344"},{"Metabolite":"3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)+","S00016570":"14870","S00016571":"","S00016572":"15499","S00016573":"11162","S00016574":"14456","S00016575":"8199","S00016576":"7556","S00016577":"3232","S00016578":"7083","S00016579":"11577","S00016580":"","S00016581":"10803","S00016582":"","S00016583":"4028","S00016584":"7329","S00016585":"15453","S00016586":"13727","S00016587":""},{"Metabolite":"3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O]","S00016570":"1390","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"1723","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"3-METHOXYTYROSINE (CAS# 4214-13-5); (M+H)+","S00016570":"","S00016571":"","S00016572":"6718","S00016573":"","S00016574":"","S00016575":"","S00016576":"4007","S00016577":"","S00016578":"","S00016579":"5376","S00016580":"","S00016581":"","S00016582":"","S00016583":"5325","S00016584":"","S00016585":"3766","S00016586":"","S00016587":""},{"Metabolite":"3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+","S00016570":"61467","S00016571":"55176","S00016572":"","S00016573":"","S00016574":"36887","S00016575":"32150","S00016576":"","S00016577":"","S00016578":"","S00016579":"57119","S00016580":"57749","S00016581":"71776","S00016582":"","S00016583":"","S00016584":"53708","S00016585":"","S00016586":"","S00016587":"59968"},{"Metabolite":"3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+","S00016570":"","S00016571":"","S00016572":"9756","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"10265","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"1232","S00016574":"","S00016575":"","S00016576":"","S00016577":"3259","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+","S00016570":"10829","S00016571":"9854","S00016572":"9552","S00016573":"16078","S00016574":"9462","S00016575":"8423","S00016576":"19662","S00016577":"21009","S00016578":"16491","S00016579":"","S00016580":"18514","S00016581":"21679","S00016582":"12185","S00016583":"14401","S00016584":"15287","S00016585":"10058","S00016586":"13373","S00016587":"19411"},{"Metabolite":"4-AMINOBENZOATE (CAS# 150-13-0); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"28539","S00016577":"","S00016578":"","S00016579":"8671","S00016580":"","S00016581":"2285","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"11209","S00016587":""},{"Metabolite":"4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 492-27-3); (M+H)+","S00016570":"","S00016571":"","S00016572":"2633","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"3046","S00016579":"1322","S00016580":"2009","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4); (M+H)+[-H2O]","S00016570":"","S00016571":"","S00016572":"","S00016573":"4348","S00016574":"1691","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"1013","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":"2023"},{"Metabolite":"4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"6471","S00016574":"5599","S00016575":"","S00016576":"3638","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"5187","S00016582":"3232","S00016583":"","S00016584":"5636","S00016585":"","S00016586":"7339","S00016587":""},{"Metabolite":"4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M+H)+","S00016570":"2981","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"7589","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"3509","S00016584":"","S00016585":"1915","S00016586":"2412","S00016587":""},{"Metabolite":"4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M+NA)+","S00016570":"2587","S00016571":"3477","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"7205","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"3472","S00016584":"","S00016585":"","S00016586":"","S00016587":"1275"},{"Metabolite":"5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+","S00016570":"1696777","S00016571":"1540600","S00016572":"1372918","S00016573":"1070453","S00016574":"1107048","S00016575":"722714","S00016576":"1195404","S00016577":"934512","S00016578":"926161","S00016579":"1246151","S00016580":"1315287","S00016581":"1299595","S00016582":"1056383","S00016583":"951861","S00016584":"675533","S00016585":"854727","S00016586":"649052","S00016587":"678036"},{"Metabolite":"5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+","S00016570":"273823","S00016571":"242358","S00016572":"271122","S00016573":"261117","S00016574":"269048","S00016575":"225600","S00016576":"278529","S00016577":"212508","S00016578":"231964","S00016579":"300903","S00016580":"301434","S00016581":"305924","S00016582":"237440","S00016583":"188021","S00016584":"179847","S00016585":"186696","S00016586":"175410","S00016587":"177330"},{"Metabolite":"5-AMINOLEVULINATE (CAS# 106-60-5); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"6471","S00016574":"","S00016575":"","S00016576":"1763","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"5187","S00016582":"2005","S00016583":"","S00016584":"3652","S00016585":"","S00016586":"5210","S00016587":""},{"Metabolite":"5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+","S00016570":"249983","S00016571":"210385","S00016572":"232838","S00016573":"280961","S00016574":"266698","S00016575":"205949","S00016576":"5298733","S00016577":"267965","S00016578":"279811","S00016579":"4037160","S00016580":"252452","S00016581":"324873","S00016582":"98492","S00016583":"4222910","S00016584":"4600254","S00016585":"4514548","S00016586":"897401","S00016587":"255396"},{"Metabolite":"5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+H)+","S00016570":"6351","S00016571":"","S00016572":"","S00016573":"4150","S00016574":"","S00016575":"","S00016576":"2186","S00016577":"","S00016578":"","S00016579":"5837","S00016580":"6814","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"9788","S00016586":"7304","S00016587":""},{"Metabolite":"5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M+H)+","S00016570":"178129","S00016571":"194571","S00016572":"146141","S00016573":"","S00016574":"","S00016575":"","S00016576":"130102","S00016577":"132062","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"1729","S00016586":"1763","S00016587":""},{"Metabolite":"5-OXOPROLINE (CAS# 4042-36-8); (M+H)+","S00016570":"1892034","S00016571":"1726695","S00016572":"1906195","S00016573":"1791962","S00016574":"1887240","S00016575":"1329792","S00016576":"2159470","S00016577":"2164382","S00016578":"2122369","S00016579":"1654027","S00016580":"2033233","S00016581":"1846439","S00016582":"1990048","S00016583":"1787949","S00016584":"","S00016585":"2051504","S00016586":"1503557","S00016587":"1599363"},{"Metabolite":"5-OXOPROLINE (CAS# 4042-36-8); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"208037","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)+[-H2O]","S00016570":"86436","S00016571":"301462","S00016572":"310631","S00016573":"134027","S00016574":"102507","S00016575":"130985","S00016576":"333069","S00016577":"250915","S00016578":"162051","S00016579":"108200","S00016580":"160683","S00016581":"158569","S00016582":"74633","S00016583":"429478","S00016584":"199368","S00016585":"","S00016586":"253056","S00016587":"234550"},{"Metabolite":"6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+","S00016570":"","S00016571":"","S00016572":"9756","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"8819","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"ABRINE (CAS# 526-31-8); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"1930","S00016586":"","S00016587":"2244"},{"Metabolite":"ACETYLCHOLINE (CAS# 51-84-3); M+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"6626","S00016578":"","S00016579":"6966","S00016580":"","S00016581":"4753","S00016582":"","S00016583":"9558","S00016584":"7274","S00016585":"","S00016586":"4760","S00016587":"2864"},{"Metabolite":"ADENINE (CAS# 73-24-5); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"2197","S00016574":"1942","S00016575":"","S00016576":"116228","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"91329","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"1304","S00016587":""},{"Metabolite":"ADENOSINE 5'-DIPHOSPHATE (CAS# 58-64-0); (M+H)+","S00016570":"222737","S00016571":"95866","S00016572":"234081","S00016573":"329265","S00016574":"103024","S00016575":"39880","S00016576":"119277","S00016577":"506052","S00016578":"405488","S00016579":"87884","S00016580":"167012","S00016581":"117883","S00016582":"200424","S00016583":"124355","S00016584":"445380","S00016585":"503833","S00016586":"263034","S00016587":"226551"},{"Metabolite":"ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+","S00016570":"97203","S00016571":"116033","S00016572":"148647","S00016573":"160441","S00016574":"144666","S00016575":"125711","S00016576":"181916","S00016577":"193043","S00016578":"163604","S00016579":"172338","S00016580":"133863","S00016581":"137321","S00016582":"95337","S00016583":"155537","S00016584":"198351","S00016585":"211424","S00016586":"174086","S00016587":"127083"},{"Metabolite":"ADENOSINE 5'-PHOSPHOSULFATE (CAS# 485-84-7); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"4038","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"2943","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+","S00016570":"61467","S00016571":"53364","S00016572":"","S00016573":"","S00016574":"36887","S00016575":"32150","S00016576":"","S00016577":"","S00016578":"","S00016579":"57119","S00016580":"57749","S00016581":"71776","S00016582":"","S00016583":"","S00016584":"53708","S00016585":"","S00016586":"","S00016587":"59968"},{"Metabolite":"ADP-RIBOSE (CAS# ); (M+H)+","S00016570":"","S00016571":"","S00016572":"1208","S00016573":"","S00016574":"","S00016575":"5049","S00016576":"","S00016577":"7929","S00016578":"11014","S00016579":"4574","S00016580":"3962","S00016581":"4502","S00016582":"","S00016583":"4319","S00016584":"","S00016585":"6670","S00016586":"3058","S00016587":"7631"},{"Metabolite":"ADP-RIBOSE (CAS# ); (M+H)+[-H2O]","S00016570":"12921","S00016571":"75055","S00016572":"78424","S00016573":"16304","S00016574":"92547","S00016575":"63508","S00016576":"94689","S00016577":"96507","S00016578":"97424","S00016579":"85637","S00016580":"82565","S00016581":"88437","S00016582":"77346","S00016583":"79481","S00016584":"82425","S00016585":"96843","S00016586":"15839","S00016587":"96253"},{"Metabolite":"ADPGLUCOSE (CAS# ); (M+H)+","S00016570":"4484","S00016571":"3741","S00016572":"","S00016573":"4104","S00016574":"4485","S00016575":"2871","S00016576":"4782","S00016577":"3798","S00016578":"3252","S00016579":"","S00016580":"2724","S00016581":"1931","S00016582":"4331","S00016583":"1865","S00016584":"3367","S00016585":"3604","S00016586":"4215","S00016587":"3731"},{"Metabolite":"AHBA (CAS# 76045-71-1); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"1448","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"ALANINE (CAS# 56-41-7); (2M+H)+[-H2O]","S00016570":"","S00016571":"","S00016572":"","S00016573":"156410","S00016574":"144363","S00016575":"116120","S00016576":"","S00016577":"","S00016578":"115445","S00016579":"95690","S00016580":"86975","S00016581":"92507","S00016582":"74525","S00016583":"86392","S00016584":"72269","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"ALANINE (CAS# 56-41-7); (M+H)+","S00016570":"","S00016571":"","S00016572":"4837","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"ALLOSE (CAS# 2595-97-3); (M+H)+[-H2O]","S00016570":"14870","S00016571":"","S00016572":"15499","S00016573":"11162","S00016574":"14456","S00016575":"8199","S00016576":"7556","S00016577":"3232","S00016578":"7083","S00016579":"11577","S00016580":"","S00016581":"10803","S00016582":"","S00016583":"4028","S00016584":"7329","S00016585":"15453","S00016586":"13727","S00016587":"15823"},{"Metabolite":"ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"1817","S00016574":"","S00016575":"2612","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M+H)+[-H2O]","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"14254","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+","S00016570":"37033","S00016571":"","S00016572":"22373","S00016573":"63395","S00016574":"61999","S00016575":"7148","S00016576":"11836","S00016577":"21875","S00016578":"19302","S00016579":"","S00016580":"10351","S00016581":"53713","S00016582":"6791","S00016583":"27485","S00016584":"11852","S00016585":"22170","S00016586":"41590","S00016587":"10520"},{"Metabolite":"ANDROSTERONE (CAS# 53-41-8); (M+NA)+","S00016570":"","S00016571":"","S00016572":"4668","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"28358","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"ANTHRANILATE (CAS# 118-92-3); (M+H)+","S00016570":"4232","S00016571":"3989","S00016572":"4080","S00016573":"","S00016574":"","S00016575":"","S00016576":"20391","S00016577":"23743","S00016578":"6541","S00016579":"14435","S00016580":"7547","S00016581":"","S00016582":"5614","S00016583":"","S00016584":"5460","S00016585":"6570","S00016586":"10054","S00016587":"3935"},{"Metabolite":"ARACHIDIC ACID (CAS# 506-30-9); (M+NA)+","S00016570":"","S00016571":"2158","S00016572":"3546","S00016573":"4443","S00016574":"1749","S00016575":"","S00016576":"","S00016577":"","S00016578":"4682","S00016579":"4161","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"3599","S00016585":"","S00016586":"1804","S00016587":"3410"},{"Metabolite":"ASCORBATE (CAS# 50-81-7); (M+H)+[-H2O]","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"16023","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"ASPARTATE (CAS# 56-84-8); (M+H)+","S00016570":"54224","S00016571":"46518","S00016572":"54919","S00016573":"59722","S00016574":"61604","S00016575":"57874","S00016576":"18076","S00016577":"19659","S00016578":"24989","S00016579":"32746","S00016580":"","S00016581":"36429","S00016582":"56061","S00016583":"40645","S00016584":"51785","S00016585":"21551","S00016586":"38478","S00016587":"41322"},{"Metabolite":"ASPARTATE (CAS# 56-84-8); (M+NA)+","S00016570":"","S00016571":"","S00016572":"1914","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"AZELAIC ACID (CAS# 123-99-9); (M+NA)+","S00016570":"85565","S00016571":"48861","S00016572":"60435","S00016573":"79586","S00016574":"38234","S00016575":"57707","S00016576":"42594","S00016577":"91532","S00016578":"67264","S00016579":"79175","S00016580":"53681","S00016581":"83932","S00016582":"","S00016583":"72703","S00016584":"66138","S00016585":"52583","S00016586":"57787","S00016587":"59850"},{"Metabolite":"BENZOIN (CAS# 119-53-9); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"1185","S00016577":"","S00016578":"1689","S00016579":"1670","S00016580":"","S00016581":"","S00016582":"5291","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"BETA-ALANINE (CAS# 107-95-9); (M+H)+","S00016570":"118301","S00016571":"121334","S00016572":"119151","S00016573":"145186","S00016574":"135526","S00016575":"116623","S00016576":"82821","S00016577":"80950","S00016578":"96690","S00016579":"119783","S00016580":"124469","S00016581":"","S00016582":"124100","S00016583":"","S00016584":"","S00016585":"98959","S00016586":"105846","S00016587":"83808"},{"Metabolite":"BETA-MALTOSE (CAS# 69-79-4); (M+NA)+","S00016570":"4708","S00016571":"1753","S00016572":"4513","S00016573":"","S00016574":"6866","S00016575":"","S00016576":"39307","S00016577":"6781","S00016578":"8621","S00016579":"","S00016580":"8059","S00016581":"8637","S00016582":"20852","S00016583":"","S00016584":"20476","S00016585":"6664","S00016586":"4426","S00016587":"7918"},{"Metabolite":"BETAINE (CAS# 107-43-7); (M+H)+","S00016570":"249521","S00016571":"210623","S00016572":"231192","S00016573":"280585","S00016574":"266682","S00016575":"206152","S00016576":"5282602","S00016577":"263044","S00016578":"286407","S00016579":"1863","S00016580":"245636","S00016581":"324445","S00016582":"4221","S00016583":"4202649","S00016584":"7265","S00016585":"4496184","S00016586":"226171","S00016587":"245231"},{"Metabolite":"BETAINE (CAS# 107-43-7); (M+NA)+","S00016570":"1989","S00016571":"","S00016572":"1842","S00016573":"17359","S00016574":"16568","S00016575":"14596","S00016576":"","S00016577":"2538","S00016578":"3086","S00016579":"2148","S00016580":"28609","S00016581":"","S00016582":"2389","S00016583":"11826","S00016584":"17371","S00016585":"6083","S00016586":"3017","S00016587":"3205"},{"Metabolite":"BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)+","S00016570":"2237570","S00016571":"441451","S00016572":"1984009","S00016573":"2464989","S00016574":"1975711","S00016575":"1865694","S00016576":"2811364","S00016577":"283452","S00016578":"2566326","S00016579":"2229265","S00016580":"2288880","S00016581":"2233371","S00016582":"1897689","S00016583":"1713314","S00016584":"2705427","S00016585":"1007544","S00016586":"3354172","S00016587":"2923218"},{"Metabolite":"BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"2112","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"BIURET (CAS# 108-19-0); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"1217","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"1490","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"BOC-ALA-OH (CAS# 15761-38-3); (M+NA)+","S00016570":"","S00016571":"11829","S00016572":"8460","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"15081","S00016581":"20286","S00016582":"14439","S00016583":"15874","S00016584":"10779","S00016585":"","S00016586":"","S00016587":"12433"},{"Metabolite":"CAFFEINE (CAS# 58-08-2); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"22397","S00016576":"","S00016577":"","S00016578":"","S00016579":"13522","S00016580":"","S00016581":"16340","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"CAFFEINE (CAS# 58-08-2); (M+NA)+","S00016570":"6184","S00016571":"3833","S00016572":"4956","S00016573":"3980","S00016574":"2382","S00016575":"","S00016576":"8588","S00016577":"8010","S00016578":"6732","S00016579":"4760","S00016580":"6642","S00016581":"7283","S00016582":"5992","S00016583":"5865","S00016584":"5297","S00016585":"","S00016586":"2139","S00016587":""},{"Metabolite":"CALCIDIOL (CAS# 19356-17-3); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"9564","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"41099","S00016581":"","S00016582":"39443","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":"25804"},{"Metabolite":"CARNOSINE (CAS# 305-84-0); (M+H)+","S00016570":"","S00016571":"2683","S00016572":"","S00016573":"5458","S00016574":"5137","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"5233","S00016586":"","S00016587":"2876"},{"Metabolite":"CELLOBIOSE (CAS# 528-50-7); (M+NA)+","S00016570":"4708","S00016571":"1753","S00016572":"4513","S00016573":"","S00016574":"6866","S00016575":"","S00016576":"39307","S00016577":"6781","S00016578":"8621","S00016579":"","S00016580":"8059","S00016581":"8637","S00016582":"20852","S00016583":"","S00016584":"20476","S00016585":"6664","S00016586":"3358","S00016587":"7918"},{"Metabolite":"CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]","S00016570":"86436","S00016571":"305095","S00016572":"310631","S00016573":"133851","S00016574":"102507","S00016575":"131139","S00016576":"332984","S00016577":"250872","S00016578":"162051","S00016579":"108200","S00016580":"161290","S00016581":"158600","S00016582":"74633","S00016583":"429800","S00016584":"199368","S00016585":"","S00016586":"253098","S00016587":"234550"},{"Metabolite":"CHOLINE (CAS# 62-49-7); M+","S00016570":"82972","S00016571":"70754","S00016572":"60625","S00016573":"57715","S00016574":"46054","S00016575":"48346","S00016576":"67113","S00016577":"66549","S00016578":"66392","S00016579":"81676","S00016580":"81951","S00016581":"69824","S00016582":"77744","S00016583":"75346","S00016584":"71144","S00016585":"128775","S00016586":"110089","S00016587":"106890"},{"Metabolite":"CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+","S00016570":"394882","S00016571":"377990","S00016572":"361248","S00016573":"2259272","S00016574":"868799","S00016575":"2150800","S00016576":"2072973","S00016577":"1658009","S00016578":"2187652","S00016579":"522313","S00016580":"1590957","S00016581":"1669187","S00016582":"1800092","S00016583":"1481664","S00016584":"1508813","S00016585":"1468695","S00016586":"1563416","S00016587":"633294"},{"Metabolite":"CHOLINE PHOSPHATE (CAS# 107-73-3); (M+NA)+","S00016570":"48256","S00016571":"53982","S00016572":"49032","S00016573":"118802","S00016574":"123401","S00016575":"108519","S00016576":"155883","S00016577":"154129","S00016578":"146525","S00016579":"116367","S00016580":"134879","S00016581":"121654","S00016582":"121177","S00016583":"95169","S00016584":"110152","S00016585":"89174","S00016586":"74530","S00016587":"106494"},{"Metabolite":"CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"1046","S00016586":"","S00016587":""},{"Metabolite":"CIS-ZEATIN (CAS# 1637-39-4); (M+H)+","S00016570":"6181644","S00016571":"6914733","S00016572":"6921603","S00016573":"8946568","S00016574":"8101013","S00016575":"7108769","S00016576":"8299033","S00016577":"8473119","S00016578":"7687230","S00016579":"6705049","S00016580":"7567983","S00016581":"7854297","S00016582":"6426546","S00016583":"9092691","S00016584":"6536291","S00016585":"8782437","S00016586":"6884435","S00016587":"7881635"},{"Metabolite":"CITRATE (CAS# 77-92-9); (M+H)+[-H2O]","S00016570":"","S00016571":"","S00016572":"","S00016573":"1167","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"CITRATE (CAS# 77-92-9); (M+NA)+","S00016570":"51761","S00016571":"52070","S00016572":"84363","S00016573":"57536","S00016574":"85343","S00016575":"58952","S00016576":"109114","S00016577":"95680","S00016578":"86101","S00016579":"37850","S00016580":"95318","S00016581":"48633","S00016582":"34585","S00016583":"26264","S00016584":"31914","S00016585":"100626","S00016586":"88232","S00016587":"98214"},{"Metabolite":"CITRULLINE (CAS# 372-75-8); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"1418","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"CMP (CAS# 63-37-6); (M+H)+","S00016570":"32662","S00016571":"25697","S00016572":"31141","S00016573":"36874","S00016574":"30803","S00016575":"32673","S00016576":"","S00016577":"","S00016578":"32871","S00016579":"","S00016580":"5035","S00016581":"","S00016582":"35249","S00016583":"25125","S00016584":"25490","S00016585":"36044","S00016586":"33397","S00016587":"31155"},{"Metabolite":"CORTISONE (CAS# 53-06-5); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"17058","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"CREATINE (CAS# 57-00-1); (M+H)+","S00016570":"4808988","S00016571":"4690122","S00016572":"4412933","S00016573":"5754997","S00016574":"","S00016575":"4867121","S00016576":"3090903","S00016577":"3129028","S00016578":"3624713","S00016579":"4813795","S00016580":"4752385","S00016581":"4661465","S00016582":"5086490","S00016583":"","S00016584":"4484599","S00016585":"3989066","S00016586":"4252581","S00016587":"3795100"},{"Metabolite":"CREATININE (CAS# 60-27-5); (M+H)+","S00016570":"141908","S00016571":"180564","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+H)+","S00016570":"","S00016571":"1766","S00016572":"2661","S00016573":"","S00016574":"12595","S00016575":"","S00016576":"","S00016577":"","S00016578":"8281","S00016579":"4799","S00016580":"","S00016581":"6572","S00016582":"","S00016583":"","S00016584":"5100","S00016585":"3181","S00016586":"","S00016587":""},{"Metabolite":"CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+H)+","S00016570":"4890","S00016571":"2722","S00016572":"2654","S00016573":"","S00016574":"","S00016575":"","S00016576":"1101","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"1414","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+K)+","S00016570":"2369","S00016571":"1478","S00016572":"1227","S00016573":"","S00016574":"2009","S00016575":"1362","S00016576":"","S00016577":"","S00016578":"","S00016579":"1048","S00016580":"","S00016581":"","S00016582":"4473","S00016583":"2283","S00016584":"1047","S00016585":"1421","S00016586":"1592","S00016587":""},{"Metabolite":"CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"3558","S00016583":"","S00016584":"","S00016585":"","S00016586":"1124","S00016587":""},{"Metabolite":"CYTOSINE (CAS# 71-30-7); (M+H)+","S00016570":"8163","S00016571":"6047","S00016572":"5908","S00016573":"","S00016574":"2560","S00016575":"","S00016576":"","S00016577":"2006","S00016578":"9141","S00016579":"18629","S00016580":"12925","S00016581":"20468","S00016582":"10638","S00016583":"2385","S00016584":"7847","S00016585":"3075","S00016586":"3443","S00016587":"4118"},{"Metabolite":"CYTOSINE (CAS# 71-30-7); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"131672","S00016577":"156238","S00016578":"192337","S00016579":"","S00016580":"","S00016581":"102434","S00016582":"","S00016583":"","S00016584":"","S00016585":"98540","S00016586":"133980","S00016587":"156385"},{"Metabolite":"D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+[-H2O]","S00016570":"7875","S00016571":"","S00016572":"11390","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"10071","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+K)+","S00016570":"8047","S00016571":"5386","S00016572":"1823","S00016573":"","S00016574":"3911","S00016575":"5891","S00016576":"","S00016577":"4047","S00016578":"","S00016579":"3287","S00016580":"","S00016581":"1579","S00016582":"","S00016583":"2329","S00016584":"2183","S00016585":"","S00016586":"","S00016587":"2856"},{"Metabolite":"D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"1817","S00016574":"","S00016575":"1127","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+[-H2O]","S00016570":"7875","S00016571":"","S00016572":"11390","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"10071","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"D-ORNITHINE (CAS# 348-66-3); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"2754","S00016578":"","S00016579":"","S00016580":"2816","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"D-ORNITHINE (CAS# 348-66-3); (M+H)+[-H2O]","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"1652","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O]","S00016570":"4708","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"39307","S00016577":"6781","S00016578":"","S00016579":"","S00016580":"8059","S00016581":"8637","S00016582":"27910","S00016583":"","S00016584":"","S00016585":"6664","S00016586":"","S00016587":""},{"Metabolite":"DEBRISOQUIN (CAS# 581-88-4); (M+H)+","S00016570":"134887","S00016571":"","S00016572":"26580","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"7200","S00016581":"5014","S00016582":"","S00016583":"","S00016584":"415305","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"DECANOATE (CAS# 334-48-5); (2M+NA)+","S00016570":"30200","S00016571":"","S00016572":"10005","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"4328","S00016578":"38977","S00016579":"43944","S00016580":"41360","S00016581":"","S00016582":"36400","S00016583":"19002","S00016584":"42243","S00016585":"11594","S00016586":"50633","S00016587":"6827"},{"Metabolite":"DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"1100","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+[-H2O]","S00016570":"","S00016571":"6602","S00016572":"","S00016573":"7766","S00016574":"5614","S00016575":"","S00016576":"7698","S00016577":"4019","S00016578":"4140","S00016579":"","S00016580":"","S00016581":"9187","S00016582":"4610","S00016583":"","S00016584":"5251","S00016585":"7517","S00016586":"4832","S00016587":"11388"},{"Metabolite":"DEOXYCHOLIC ACID (CAS# 83-44-3); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"6414","S00016586":"","S00016587":""},{"Metabolite":"DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"17145","S00016582":"","S00016583":"2719","S00016584":"","S00016585":"21552","S00016586":"","S00016587":""},{"Metabolite":"DEOXYCYTIDINE (CAS# 951-77-9); (M+H)+","S00016570":"4584","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"5857","S00016579":"","S00016580":"","S00016581":"","S00016582":"8978","S00016583":"1628","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"DEPHOSPHO-COA (CAS# 3633-59-8); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"2451","S00016579":"","S00016580":"","S00016581":"3274","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"DGMP (CAS# 902-04-5); (M+H)+","S00016570":"100330","S00016571":"74941","S00016572":"96347","S00016573":"105060","S00016574":"89322","S00016575":"44936","S00016576":"173697","S00016577":"164040","S00016578":"163604","S00016579":"172338","S00016580":"86432","S00016581":"121497","S00016582":"94165","S00016583":"92728","S00016584":"198351","S00016585":"211424","S00016586":"104870","S00016587":"101574"},{"Metabolite":"DUMP (CAS# 964-26-1); (2M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"1436","S00016575":"","S00016576":"4150","S00016577":"4206","S00016578":"2272","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"2545","S00016584":"","S00016585":"","S00016586":"3141","S00016587":"3546"},{"Metabolite":"ELAIDIC ACID (CAS# 112-79-8); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"1046","S00016586":"","S00016587":""},{"Metabolite":"ELAIDIC ACID (CAS# 112-79-8); (M+NA)+","S00016570":"32787","S00016571":"","S00016572":"21228","S00016573":"68797","S00016574":"","S00016575":"2897","S00016576":"76690","S00016577":"36635","S00016578":"28685","S00016579":"","S00016580":"","S00016581":"5779","S00016582":"6439","S00016583":"41290","S00016584":"13031","S00016585":"","S00016586":"5815","S00016587":""},{"Metabolite":"ERUCIC ACID (CAS# 112-86-7); (M+NA)+","S00016570":"14528","S00016571":"10034","S00016572":"","S00016573":"9680","S00016574":"2882","S00016575":"10904","S00016576":"","S00016577":"","S00016578":"10259","S00016579":"","S00016580":"12966","S00016581":"11092","S00016582":"9751","S00016583":"","S00016584":"9840","S00016585":"10383","S00016586":"","S00016587":""},{"Metabolite":"ERYTHRITOL (CAS# 149-32-6); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"1036","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"1996","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"ESTRONE (CAS# 53-16-7); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"12228","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"2105","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M+H)+","S00016570":"9426","S00016571":"20453","S00016572":"20681","S00016573":"21063","S00016574":"13237","S00016575":"7132","S00016576":"16684","S00016577":"21955","S00016578":"13003","S00016579":"17784","S00016580":"24907","S00016581":"27112","S00016582":"17359","S00016583":"27922","S00016584":"16287","S00016585":"24118","S00016586":"25120","S00016587":"21705"},{"Metabolite":"FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M+NA)+","S00016570":"6747","S00016571":"12393","S00016572":"17217","S00016573":"11272","S00016574":"9973","S00016575":"3117","S00016576":"10171","S00016577":"15788","S00016578":"11663","S00016579":"11277","S00016580":"12230","S00016581":"10734","S00016582":"11504","S00016583":"18200","S00016584":"10422","S00016585":"18354","S00016586":"12119","S00016587":"10446"},{"Metabolite":"FOLIC ACID (CAS# 59-30-3); (M+H)+","S00016570":"27415","S00016571":"22718","S00016572":"24622","S00016573":"18658","S00016574":"16653","S00016575":"12154","S00016576":"37761","S00016577":"40279","S00016578":"35632","S00016579":"35956","S00016580":"48437","S00016581":"49988","S00016582":"38143","S00016583":"43724","S00016584":"35645","S00016585":"33283","S00016586":"20260","S00016587":"25865"},{"Metabolite":"FOLIC ACID (CAS# 59-30-3); (M+NA)+","S00016570":"14395","S00016571":"15063","S00016572":"13017","S00016573":"7565","S00016574":"7151","S00016575":"4273","S00016576":"19544","S00016577":"21474","S00016578":"18351","S00016579":"17135","S00016580":"23220","S00016581":"21855","S00016582":"18234","S00016583":"20973","S00016584":"18616","S00016585":"19128","S00016586":"9934","S00016587":"11786"},{"Metabolite":"FRUCTOSE (CAS# 57-48-7); (M+NA)+","S00016570":"106615","S00016571":"71303","S00016572":"99126","S00016573":"69393","S00016574":"98541","S00016575":"61936","S00016576":"331657","S00016577":"314364","S00016578":"303154","S00016579":"168949","S00016580":"328239","S00016581":"265993","S00016582":"273936","S00016583":"171869","S00016584":"263653","S00016585":"","S00016586":"82065","S00016587":"197269"},{"Metabolite":"GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"1336","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"26461","S00016587":""},{"Metabolite":"GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)+[-H2O]","S00016570":"140702","S00016571":"194689","S00016572":"130857","S00016573":"141451","S00016574":"143736","S00016575":"72944","S00016576":"","S00016577":"104778","S00016578":"132998","S00016579":"262812","S00016580":"189515","S00016581":"241293","S00016582":"288742","S00016583":"320468","S00016584":"30485","S00016585":"173794","S00016586":"189159","S00016587":"203913"},{"Metabolite":"GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+","S00016570":"37033","S00016571":"","S00016572":"22373","S00016573":"63395","S00016574":"61999","S00016575":"7148","S00016576":"11836","S00016577":"21875","S00016578":"19302","S00016579":"","S00016580":"10351","S00016581":"53713","S00016582":"6791","S00016583":"27485","S00016584":"11852","S00016585":"22170","S00016586":"41590","S00016587":"10520"},{"Metabolite":"GDPMANNOSE (CAS# ); (M+H)+","S00016570":"","S00016571":"2479","S00016572":"","S00016573":"","S00016574":"3586","S00016575":"2622","S00016576":"","S00016577":"","S00016578":"","S00016579":"6126","S00016580":"","S00016581":"3616","S00016582":"","S00016583":"1354","S00016584":"4865","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"GDPMANNOSE (CAS# ); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"2099","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"1020","S00016580":"","S00016581":"","S00016582":"2901","S00016583":"2057","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"1464","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+","S00016570":"140890","S00016571":"132984","S00016572":"111582","S00016573":"140374","S00016574":"131049","S00016575":"110581","S00016576":"132802","S00016577":"125238","S00016578":"122896","S00016579":"137124","S00016580":"125762","S00016581":"140255","S00016582":"149712","S00016583":"190576","S00016584":"122756","S00016585":"155434","S00016586":"106653","S00016587":"120691"},{"Metabolite":"GLUCOSAMINATE (CAS# 3646-68-2); (M+H)+","S00016570":"","S00016571":"1218","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"1464","S00016585":"","S00016586":"1454","S00016587":"2344"},{"Metabolite":"GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M+H)+","S00016570":"8045","S00016571":"5525","S00016572":"3663","S00016573":"","S00016574":"","S00016575":"","S00016576":"2119","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"1597","S00016582":"2009","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O]","S00016570":"4708","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"39307","S00016577":"6781","S00016578":"","S00016579":"","S00016580":"8059","S00016581":"8637","S00016582":"","S00016583":"","S00016584":"","S00016585":"6664","S00016586":"","S00016587":""},{"Metabolite":"GLUCOSE (CAS# 50-99-7); (M+NA)+","S00016570":"106615","S00016571":"71303","S00016572":"99126","S00016573":"69393","S00016574":"98541","S00016575":"61936","S00016576":"331657","S00016577":"314364","S00016578":"303154","S00016579":"168949","S00016580":"328239","S00016581":"265993","S00016582":"273936","S00016583":"171869","S00016584":"263653","S00016585":"","S00016586":"82065","S00016587":"197269"},{"Metabolite":"GLUTAMATE (CAS# 56-86-0); (M+H)+","S00016570":"4290510","S00016571":"3817550","S00016572":"4031289","S00016573":"","S00016574":"3559021","S00016575":"","S00016576":"","S00016577":"","S00016578":"3924050","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"4171377","S00016587":"4130776"},{"Metabolite":"GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O]","S00016570":"2994520","S00016571":"3021052","S00016572":"3048622","S00016573":"3469758","S00016574":"2991984","S00016575":"2771249","S00016576":"2572919","S00016577":"2624215","S00016578":"3062815","S00016579":"2502511","S00016580":"2490755","S00016581":"2509284","S00016582":"2940877","S00016583":"2832526","S00016584":"2906739","S00016585":"2395752","S00016586":"2746661","S00016587":"2869424"},{"Metabolite":"GLUTAMINE (CAS# 56-85-9); (M+NA)+","S00016570":"","S00016571":"100718","S00016572":"","S00016573":"","S00016574":"","S00016575":"81753","S00016576":"140707","S00016577":"141246","S00016578":"144295","S00016579":"","S00016580":"","S00016581":"109404","S00016582":"135179","S00016583":"","S00016584":"","S00016585":"81642","S00016586":"","S00016587":""},{"Metabolite":"GLUTARATE (CAS# 110-94-1); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"3797","S00016574":"3382","S00016575":"","S00016576":"","S00016577":"4195","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"GLUTATHIONE (CAS# 27025-41-8); (M+H)+","S00016570":"9320334","S00016571":"8942590","S00016572":"9604090","S00016573":"6807364","S00016574":"4742931","S00016575":"6046585","S00016576":"5621963","S00016577":"5213739","S00016578":"4663463","S00016579":"6294461","S00016580":"7580469","S00016581":"7459175","S00016582":"6957153","S00016583":"7778479","S00016584":"8203404","S00016585":"8022557","S00016586":"6852382","S00016587":"6799456"},{"Metabolite":"GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2","S00016570":"14200000","S00016571":"14200000","S00016572":"15700000","S00016573":"13000000","S00016574":"9239662","S00016575":"10600000","S00016576":"9657752","S00016577":"9063916","S00016578":"8569482","S00016579":"9997338","S00016580":"11900000","S00016581":"12300000","S00016582":"12200000","S00016583":"13100000","S00016584":"14200000","S00016585":"13000000","S00016586":"12700000","S00016587":"12700000"},{"Metabolite":"GLYCERALDEHYDE (CAS# 367-47-5); (2M+H)+[-H2O]","S00016570":"","S00016571":"","S00016572":"15499","S00016573":"","S00016574":"14456","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"GLYCINE (CAS# 56-40-6); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"5255","S00016576":"6688","S00016577":"8268","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"6080","S00016585":"4151","S00016586":"","S00016587":""},{"Metabolite":"GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+[-H2O]","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"1038","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+","S00016570":"10561","S00016571":"13232","S00016572":"10907","S00016573":"","S00016574":"5306","S00016575":"","S00016576":"9597","S00016577":"","S00016578":"12927","S00016579":"8208","S00016580":"11173","S00016581":"","S00016582":"6538","S00016583":"","S00016584":"12900","S00016585":"10404","S00016586":"","S00016587":""},{"Metabolite":"GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+","S00016570":"4638","S00016571":"259852","S00016572":"219234","S00016573":"255190","S00016574":"186597","S00016575":"318562","S00016576":"297745","S00016577":"204782","S00016578":"286070","S00016579":"213598","S00016580":"266438","S00016581":"284929","S00016582":"214898","S00016583":"284801","S00016584":"213652","S00016585":"392268","S00016586":"249349","S00016587":"295868"},{"Metabolite":"GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+","S00016570":"6656","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"2973","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"1312","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+[-H2O]","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"2217","S00016582":"6876","S00016583":"17785","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"GUANINE (CAS# 73-40-5); (M+H)+","S00016570":"474463","S00016571":"413360","S00016572":"390862","S00016573":"346844","S00016574":"306540","S00016575":"243048","S00016576":"245974","S00016577":"260740","S00016578":"","S00016579":"368783","S00016580":"308890","S00016581":"290975","S00016582":"326671","S00016583":"357798","S00016584":"315791","S00016585":"244569","S00016586":"221825","S00016587":""},{"Metabolite":"GUANOSINE (CAS# 118-00-3); (M+H)+","S00016570":"1053002","S00016571":"414172","S00016572":"361139","S00016573":"295523","S00016574":"313603","S00016575":"191450","S00016576":"288749","S00016577":"219663","S00016578":"283946","S00016579":"639233","S00016580":"584284","S00016581":"420400","S00016582":"542570","S00016583":"204363","S00016584":"318686","S00016585":"342685","S00016586":"214601","S00016587":"200840"},{"Metabolite":"GUANOSINE (CAS# 118-00-3); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"19155","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"18224","S00016587":""},{"Metabolite":"GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M+H)+","S00016570":"4484","S00016571":"3741","S00016572":"","S00016573":"4104","S00016574":"4485","S00016575":"2871","S00016576":"4782","S00016577":"3798","S00016578":"3252","S00016579":"","S00016580":"2724","S00016581":"1931","S00016582":"4331","S00016583":"1865","S00016584":"3367","S00016585":"3604","S00016586":"4215","S00016587":"3731"},{"Metabolite":"GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (2M+NA)+[-H2O]","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"1010","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M+H)+","S00016570":"2919","S00016571":"","S00016572":"","S00016573":"8636","S00016574":"8715","S00016575":"3700","S00016576":"","S00016577":"","S00016578":"10354","S00016579":"","S00016580":"","S00016581":"6591","S00016582":"","S00016583":"9449","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"HOMOSERINE (CAS# 672-15-1); (M+H)+","S00016570":"401888","S00016571":"398845","S00016572":"394711","S00016573":"483259","S00016574":"428787","S00016575":"","S00016576":"330438","S00016577":"338273","S00016578":"427576","S00016579":"308104","S00016580":"312505","S00016581":"298375","S00016582":"390912","S00016583":"92408","S00016584":"378752","S00016585":"302721","S00016586":"367357","S00016587":"389461"},{"Metabolite":"HOMOSERINE (CAS# 672-15-1); (M+NA)+","S00016570":"6966","S00016571":"","S00016572":"3547","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"8150","S00016579":"6818","S00016580":"8021","S00016581":"8097","S00016582":"","S00016583":"","S00016584":"","S00016585":"7739","S00016586":"","S00016587":""},{"Metabolite":"HOMOVANILLATE (CAS# 306-08-1); (M+H)+","S00016570":"14703","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"5878","S00016577":"","S00016578":"10265","S00016579":"","S00016580":"","S00016581":"10701","S00016582":"7880","S00016583":"","S00016584":"6944","S00016585":"","S00016586":"9405","S00016587":"9545"},{"Metabolite":"HYPOXANTHINE (CAS# 68-94-0); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"2106","S00016582":"31075","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"INDOLE (CAS# 120-72-9); (2M+NA)+","S00016570":"","S00016571":"1569","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+","S00016570":"70204","S00016571":"120435","S00016572":"128775","S00016573":"71610","S00016574":"61053","S00016575":"55688","S00016576":"94005","S00016577":"84146","S00016578":"89902","S00016579":"49830","S00016580":"40351","S00016581":"37591","S00016582":"96778","S00016583":"130749","S00016584":"103574","S00016585":"97652","S00016586":"95790","S00016587":"102519"},{"Metabolite":"INOSINE (CAS# 58-63-9); (M+H)+","S00016570":"1415120","S00016571":"","S00016572":"784738","S00016573":"646467","S00016574":"664707","S00016575":"463455","S00016576":"57794","S00016577":"10605","S00016578":"517339","S00016579":"720470","S00016580":"857588","S00016581":"661900","S00016582":"1083664","S00016583":"505880","S00016584":"608837","S00016585":"782218","S00016586":"545116","S00016587":"448742"},{"Metabolite":"INOSINE (CAS# 58-63-9); (M+NA)+","S00016570":"391483","S00016571":"173817","S00016572":"293232","S00016573":"375095","S00016574":"398914","S00016575":"421511","S00016576":"222833","S00016577":"172728","S00016578":"259513","S00016579":"214440","S00016580":"416839","S00016581":"369450","S00016582":"454994","S00016583":"","S00016584":"285628","S00016585":"258347","S00016586":"341352","S00016587":"296824"},{"Metabolite":"ISOLEUCINE (CAS# 73-32-5); (M+H)+","S00016570":"34900000","S00016571":"36900000","S00016572":"35300000","S00016573":"35000000","S00016574":"31600000","S00016575":"25800000","S00016576":"29300000","S00016577":"26800000","S00016578":"28700000","S00016579":"29500000","S00016580":"28700000","S00016581":"28400000","S00016582":"35000000","S00016583":"32700000","S00016584":"27000000","S00016585":"26600000","S00016586":"32000000","S00016587":"32400000"},{"Metabolite":"ISOLEUCINE (CAS# 73-32-5); (M+NA)+","S00016570":"182351","S00016571":"172912","S00016572":"","S00016573":"","S00016574":"182504","S00016575":"173322","S00016576":"189096","S00016577":"","S00016578":"187850","S00016579":"","S00016580":"172167","S00016581":"","S00016582":"190679","S00016583":"151045","S00016584":"9542","S00016585":"","S00016586":"","S00016587":"187965"},{"Metabolite":"JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+H)+","S00016570":"269289","S00016571":"237675","S00016572":"","S00016573":"308020","S00016574":"247094","S00016575":"241463","S00016576":"","S00016577":"274577","S00016578":"228365","S00016579":"263575","S00016580":"250546","S00016581":"298497","S00016582":"275370","S00016583":"355382","S00016584":"288717","S00016585":"309414","S00016586":"217446","S00016587":"253846"},{"Metabolite":"JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+","S00016570":"1271707","S00016571":"1154838","S00016572":"1066498","S00016573":"1460315","S00016574":"1210106","S00016575":"1089439","S00016576":"1291058","S00016577":"1249238","S00016578":"1206459","S00016579":"1270769","S00016580":"1222009","S00016581":"1377917","S00016582":"1367821","S00016583":"1670787","S00016584":"1312757","S00016585":"1478875","S00016586":"1015194","S00016587":"1168042"},{"Metabolite":"KYNURENINE (CAS# 343-65-7); (M+H)+","S00016570":"708261","S00016571":"802959","S00016572":"595908","S00016573":"337433","S00016574":"265966","S00016575":"200910","S00016576":"713329","S00016577":"792422","S00016578":"587475","S00016579":"1199766","S00016580":"1065215","S00016581":"815935","S00016582":"92390","S00016583":"97928","S00016584":"86727","S00016585":"425547","S00016586":"333642","S00016587":"323031"},{"Metabolite":"KYNURENINE (CAS# 343-65-7); (M+NA)+","S00016570":"14561","S00016571":"7865","S00016572":"12022","S00016573":"10095","S00016574":"4310","S00016575":"6574","S00016576":"17461","S00016577":"17355","S00016578":"13806","S00016579":"27617","S00016580":"21651","S00016581":"17502","S00016582":"","S00016583":"5584","S00016584":"","S00016585":"","S00016586":"9171","S00016587":"8950"},{"Metabolite":"L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+","S00016570":"401888","S00016571":"398845","S00016572":"394711","S00016573":"483259","S00016574":"428787","S00016575":"","S00016576":"330438","S00016577":"338273","S00016578":"427576","S00016579":"308104","S00016580":"312505","S00016581":"299961","S00016582":"390912","S00016583":"92408","S00016584":"374074","S00016585":"302721","S00016586":"367357","S00016587":"389461"},{"Metabolite":"L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O]","S00016570":"205556","S00016571":"","S00016572":"316881","S00016573":"345973","S00016574":"","S00016575":"","S00016576":"","S00016577":"279123","S00016578":"325294","S00016579":"291114","S00016580":"300513","S00016581":"","S00016582":"","S00016583":"311570","S00016584":"209628","S00016585":"279186","S00016586":"","S00016587":"312094"},{"Metabolite":"L-ARGININE (CAS# 74-79-3); (M+NA)+","S00016570":"3772","S00016571":"","S00016572":"","S00016573":"4430","S00016574":"5975","S00016575":"3472","S00016576":"6569","S00016577":"7047","S00016578":"","S00016579":"","S00016580":"5761","S00016581":"5443","S00016582":"5393","S00016583":"4447","S00016584":"6726","S00016585":"3343","S00016586":"","S00016587":"4816"},{"Metabolite":"L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (M+H)+","S00016570":"28438","S00016571":"35217","S00016572":"39956","S00016573":"54737","S00016574":"46302","S00016575":"52381","S00016576":"31515","S00016577":"53999","S00016578":"66947","S00016579":"","S00016580":"47222","S00016581":"56930","S00016582":"57804","S00016583":"48961","S00016584":"25348","S00016585":"44022","S00016586":"90405","S00016587":"62372"},{"Metabolite":"L-CARNITINE (CAS# 541-15-1); (M+H)+","S00016570":"1131513","S00016571":"1159931","S00016572":"1149819","S00016573":"911857","S00016574":"780769","S00016575":"679991","S00016576":"1126430","S00016577":"1240711","S00016578":"1316373","S00016579":"730778","S00016580":"728051","S00016581":"687199","S00016582":"470556","S00016583":"386757","S00016584":"446291","S00016585":"1116688","S00016586":"1226549","S00016587":"1280953"},{"Metabolite":"L-HISTIDINE (CAS# 71-00-1); (M+H)+","S00016570":"54810","S00016571":"","S00016572":"61966","S00016573":"54084","S00016574":"","S00016575":"","S00016576":"45031","S00016577":"","S00016578":"46539","S00016579":"48891","S00016580":"","S00016581":"","S00016582":"38144","S00016583":"47522","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"L-HISTIDINE (CAS# 71-00-1); (M+NA)+","S00016570":"","S00016571":"3955","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"2589","S00016577":"","S00016578":"2589","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"2032","S00016587":""},{"Metabolite":"L-ORNITHINE (CAS# 70-26-8); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"2754","S00016578":"","S00016579":"","S00016580":"2816","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+","S00016570":"1023618","S00016571":"1101239","S00016572":"953319","S00016573":"1242041","S00016574":"1105841","S00016575":"915236","S00016576":"1118544","S00016577":"1091305","S00016578":"1029597","S00016579":"1131220","S00016580":"1108540","S00016581":"1122212","S00016582":"1273456","S00016583":"1457715","S00016584":"1107633","S00016585":"1347266","S00016586":"991853","S00016587":"1147843"},{"Metabolite":"L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"1415130","S00016584":"","S00016585":"1345417","S00016586":"","S00016587":""},{"Metabolite":"LACTOSE (CAS# 63-42-3); (M+K)+","S00016570":"","S00016571":"13067","S00016572":"12151","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"14618","S00016578":"17934","S00016579":"17587","S00016580":"15601","S00016581":"19116","S00016582":"","S00016583":"","S00016584":"47582","S00016585":"2834","S00016586":"","S00016587":""},{"Metabolite":"LACTOSE (CAS# 63-42-3); (M+NA)+","S00016570":"3626","S00016571":"1753","S00016572":"4513","S00016573":"","S00016574":"6908","S00016575":"","S00016576":"39307","S00016577":"6781","S00016578":"8621","S00016579":"","S00016580":"8059","S00016581":"8637","S00016582":"27910","S00016583":"","S00016584":"20476","S00016585":"6664","S00016586":"3493","S00016587":"6840"},{"Metabolite":"LANOSTEROL (CAS# 79-63-0); (M+NA)+","S00016570":"","S00016571":"3653","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+","S00016570":"10005","S00016571":"9089","S00016572":"7022","S00016573":"6742","S00016574":"5030","S00016575":"4289","S00016576":"3695","S00016577":"5355","S00016578":"4824","S00016579":"5096","S00016580":"5765","S00016581":"5732","S00016582":"4335","S00016583":"5348","S00016584":"3893","S00016585":"7269","S00016586":"3801","S00016587":"3894"},{"Metabolite":"LAUROYLCARNITINE (CAS# 25518-54-1); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"2479","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"3095","S00016581":"","S00016582":"1498","S00016583":"","S00016584":"1623","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"LEUCINE (CAS# 328-39-2); (M+H)+","S00016570":"34900000","S00016571":"37200000","S00016572":"35400000","S00016573":"35000000","S00016574":"31600000","S00016575":"25800000","S00016576":"29300000","S00016577":"26800000","S00016578":"29200000","S00016579":"29500000","S00016580":"28900000","S00016581":"28400000","S00016582":"35000000","S00016583":"32900000","S00016584":"27400000","S00016585":"26600000","S00016586":"31900000","S00016587":"32600000"},{"Metabolite":"LEUCINE (CAS# 328-39-2); (M+NA)+","S00016570":"182351","S00016571":"172912","S00016572":"","S00016573":"","S00016574":"182504","S00016575":"173322","S00016576":"189096","S00016577":"","S00016578":"187850","S00016579":"","S00016580":"172167","S00016581":"","S00016582":"190679","S00016583":"151045","S00016584":"9542","S00016585":"","S00016586":"","S00016587":"187965"},{"Metabolite":"LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+","S00016570":"2470","S00016571":"10170","S00016572":"","S00016573":"33552","S00016574":"3052","S00016575":"","S00016576":"4099","S00016577":"2752","S00016578":"80545","S00016579":"","S00016580":"9937","S00016581":"","S00016582":"28369","S00016583":"","S00016584":"","S00016585":"6240","S00016586":"","S00016587":""},{"Metabolite":"LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O]","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"1011","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+","S00016570":"","S00016571":"","S00016572":"1485","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"LINOLEATE (CAS# 60-33-3); (M+NA)+","S00016570":"","S00016571":"1781","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"15917","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"16642","S00016586":"","S00016587":""},{"Metabolite":"LOPERAMIDE (CAS# 34552-83-5); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"3020","S00016586":"","S00016587":""},{"Metabolite":"LUMICHROME (CAS# 1086-80-2); (M+H)+","S00016570":"23415","S00016571":"22295","S00016572":"12649","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"14847","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"LUMICHROME (CAS# 1086-80-2); (M+NA)+","S00016570":"120923","S00016571":"106594","S00016572":"78582","S00016573":"46311","S00016574":"28146","S00016575":"25460","S00016576":"26173","S00016577":"23195","S00016578":"21298","S00016579":"71692","S00016580":"78432","S00016581":"69082","S00016582":"79180","S00016583":"78883","S00016584":"57108","S00016585":"33481","S00016586":"21107","S00016587":"22452"},{"Metabolite":"LYSINE (CAS# 56-87-1); (M+H)+","S00016570":"131021","S00016571":"120498","S00016572":"","S00016573":"154241","S00016574":"146622","S00016575":"119397","S00016576":"","S00016577":"","S00016578":"77010","S00016579":"61708","S00016580":"68782","S00016581":"60987","S00016582":"123808","S00016583":"","S00016584":"111916","S00016585":"51915","S00016586":"","S00016587":""},{"Metabolite":"LYSINE (CAS# 56-87-1); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"7299","S00016583":"","S00016584":"","S00016585":"2994","S00016586":"","S00016587":""},{"Metabolite":"M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (M+NA)+[-H2O]","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"1311","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"MALATE (CAS# 636-61-3); (M+NA)+","S00016570":"8208","S00016571":"6879","S00016572":"","S00016573":"","S00016574":"6212","S00016575":"3866","S00016576":"8271","S00016577":"4019","S00016578":"","S00016579":"10559","S00016580":"","S00016581":"10208","S00016582":"","S00016583":"2374","S00016584":"","S00016585":"1523","S00016586":"","S00016587":""},{"Metabolite":"MALEAMATE (CAS# 557-24-4); (M+H)+","S00016570":"20282","S00016571":"38581","S00016572":"8474","S00016573":"14619","S00016574":"39374","S00016575":"38943","S00016576":"3117","S00016577":"4373","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"22597","S00016583":"","S00016584":"","S00016585":"","S00016586":"6495","S00016587":"6521"},{"Metabolite":"MALTOSE (CAS# 69-79-4); (M+NA)+","S00016570":"3685","S00016571":"1753","S00016572":"4513","S00016573":"","S00016574":"6866","S00016575":"","S00016576":"39307","S00016577":"6781","S00016578":"8621","S00016579":"","S00016580":"8059","S00016581":"8637","S00016582":"27910","S00016583":"","S00016584":"20476","S00016585":"6664","S00016586":"4426","S00016587":"7918"},{"Metabolite":"MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"1817","S00016574":"","S00016575":"1127","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"MELIBIOSE (CAS# 585-99-9); (M+K)+","S00016570":"","S00016571":"13067","S00016572":"12151","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"14618","S00016578":"17934","S00016579":"17587","S00016580":"15601","S00016581":"19116","S00016582":"","S00016583":"","S00016584":"47582","S00016585":"2834","S00016586":"","S00016587":""},{"Metabolite":"MELIBIOSE (CAS# 585-99-9); (M+NA)+","S00016570":"4708","S00016571":"1753","S00016572":"4513","S00016573":"","S00016574":"6866","S00016575":"","S00016576":"39307","S00016577":"6781","S00016578":"8621","S00016579":"","S00016580":"8059","S00016581":"8637","S00016582":"20852","S00016583":"","S00016584":"20476","S00016585":"6664","S00016586":"4426","S00016587":"7918"},{"Metabolite":"MENAQUINONE (CAS# 11032-49-8); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"1842","S00016586":"","S00016587":""},{"Metabolite":"METHIONINE (CAS# 63-68-3); (M+H)+","S00016570":"7473447","S00016571":"7653896","S00016572":"7590589","S00016573":"6937580","S00016574":"6369410","S00016575":"5162308","S00016576":"5333129","S00016577":"5723145","S00016578":"5859764","S00016579":"5868067","S00016580":"6259922","S00016581":"5988413","S00016582":"6472745","S00016583":"6643274","S00016584":"6497305","S00016585":"4802631","S00016586":"4740906","S00016587":"5083400"},{"Metabolite":"METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)+","S00016570":"5212","S00016571":"6211","S00016572":"9389","S00016573":"16450","S00016574":"17671","S00016575":"12176","S00016576":"","S00016577":"27616","S00016578":"","S00016579":"4682","S00016580":"3535","S00016581":"7301","S00016582":"","S00016583":"","S00016584":"","S00016585":"6475","S00016586":"1851","S00016587":"6345"},{"Metabolite":"METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+","S00016570":"101750","S00016571":"151906","S00016572":"139606","S00016573":"115458","S00016574":"135080","S00016575":"119710","S00016576":"153233","S00016577":"143813","S00016578":"134691","S00016579":"91039","S00016580":"118796","S00016581":"98513","S00016582":"46619","S00016583":"159632","S00016584":"138626","S00016585":"140765","S00016586":"127948","S00016587":"132140"},{"Metabolite":"MEVALONIC ACID (CAS# 674-26-0); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"9825","S00016575":"4835","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"MEVALONIC ACID (CAS# 674-26-0); (M+NA)+[-H2O]","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"1360","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+","S00016570":"61467","S00016571":"55176","S00016572":"","S00016573":"","S00016574":"36887","S00016575":"32150","S00016576":"","S00016577":"","S00016578":"","S00016579":"57119","S00016580":"57749","S00016581":"71776","S00016582":"","S00016583":"","S00016584":"53708","S00016585":"","S00016586":"","S00016587":"59968"},{"Metabolite":"MYO-INOSITOL (CAS# 87-89-8); (M+NA)+","S00016570":"106615","S00016571":"71303","S00016572":"99126","S00016573":"69393","S00016574":"98541","S00016575":"61936","S00016576":"331657","S00016577":"314364","S00016578":"303154","S00016579":"168949","S00016580":"328239","S00016581":"265993","S00016582":"273936","S00016583":"171869","S00016584":"263653","S00016585":"","S00016586":"82065","S00016587":"197269"},{"Metabolite":"N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+","S00016570":"","S00016571":"3926","S00016572":"","S00016573":"","S00016574":"","S00016575":"3399","S00016576":"","S00016577":"4176","S00016578":"6259","S00016579":"3840","S00016580":"","S00016581":"3648","S00016582":"2495","S00016583":"3156","S00016584":"3842","S00016585":"2336","S00016586":"5084","S00016587":"4762"},{"Metabolite":"N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+","S00016570":"","S00016571":"1774","S00016572":"","S00016573":"","S00016574":"5027","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+H)+","S00016570":"","S00016571":"1774","S00016572":"","S00016573":"","S00016574":"3835","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+","S00016570":"6601","S00016571":"9104","S00016572":"7575","S00016573":"4150","S00016574":"3331","S00016575":"","S00016576":"1949","S00016577":"2110","S00016578":"","S00016579":"5673","S00016580":"5389","S00016581":"","S00016582":"4907","S00016583":"5372","S00016584":"","S00016585":"8071","S00016586":"6804","S00016587":"5469"},{"Metabolite":"N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+","S00016570":"44891","S00016571":"51373","S00016572":"41511","S00016573":"21909","S00016574":"17826","S00016575":"15209","S00016576":"20452","S00016577":"23481","S00016578":"18728","S00016579":"33307","S00016580":"33210","S00016581":"28567","S00016582":"27197","S00016583":"30561","S00016584":"21752","S00016585":"47794","S00016586":"35222","S00016587":"30994"},{"Metabolite":"N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+","S00016570":"4297391","S00016571":"3810848","S00016572":"3344941","S00016573":"","S00016574":"3588372","S00016575":"","S00016576":"","S00016577":"","S00016578":"3924050","S00016579":"747483","S00016580":"790538","S00016581":"524113","S00016582":"","S00016583":"616646","S00016584":"694925","S00016585":"833626","S00016586":"719209","S00016587":"4158112"},{"Metabolite":"N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O]","S00016570":"2946037","S00016571":"3017361","S00016572":"2995932","S00016573":"3462768","S00016574":"2994657","S00016575":"2820206","S00016576":"2575011","S00016577":"2697840","S00016578":"3120835","S00016579":"2496155","S00016580":"2500635","S00016581":"2460313","S00016582":"2931954","S00016583":"2762625","S00016584":"2974278","S00016585":"2398253","S00016586":"2698913","S00016587":"2881654"},{"Metabolite":"N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+","S00016570":"67117","S00016571":"53871","S00016572":"","S00016573":"49025","S00016574":"65234","S00016575":"44433","S00016576":"75034","S00016577":"79374","S00016578":"77018","S00016579":"","S00016580":"88853","S00016581":"80750","S00016582":"81908","S00016583":"","S00016584":"78761","S00016585":"59815","S00016586":"53860","S00016587":"65216"},{"Metabolite":"N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"2374","S00016574":"","S00016575":"2451","S00016576":"","S00016577":"3099","S00016578":"","S00016579":"","S00016580":"","S00016581":"4378","S00016582":"","S00016583":"","S00016584":"1781","S00016585":"3191","S00016586":"","S00016587":"3372"},{"Metabolite":"N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+","S00016570":"2344","S00016571":"3151","S00016572":"","S00016573":"","S00016574":"2461","S00016575":"","S00016576":"1418","S00016577":"3637","S00016578":"","S00016579":"","S00016580":"2447","S00016581":"2454","S00016582":"","S00016583":"1591","S00016584":"","S00016585":"","S00016586":"2348","S00016587":"1506"},{"Metabolite":"N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+H)+","S00016570":"","S00016571":"2466","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"1522","S00016574":"2106","S00016575":"","S00016576":"5192","S00016577":"4523","S00016578":"3333","S00016579":"","S00016580":"4424","S00016581":"5581","S00016582":"","S00016583":"","S00016584":"","S00016585":"2557","S00016586":"","S00016587":"1726"},{"Metabolite":"N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+","S00016570":"","S00016571":"1774","S00016572":"","S00016573":"","S00016574":"5027","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+H)+","S00016570":"44108","S00016571":"25110","S00016572":"50577","S00016573":"39967","S00016574":"36544","S00016575":"23581","S00016576":"215079","S00016577":"194924","S00016578":"235272","S00016579":"44917","S00016580":"79476","S00016581":"67774","S00016582":"55684","S00016583":"44239","S00016584":"76093","S00016585":"46159","S00016586":"55519","S00016587":"76960"},{"Metabolite":"N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+","S00016570":"3623","S00016571":"1195","S00016572":"4096","S00016573":"","S00016574":"","S00016575":"","S00016576":"9272","S00016577":"","S00016578":"","S00016579":"6197","S00016580":"10286","S00016581":"6626","S00016582":"9466","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":"8493"},{"Metabolite":"N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+","S00016570":"","S00016571":"3840","S00016572":"","S00016573":"","S00016574":"","S00016575":"1555","S00016576":"12744","S00016577":"8916","S00016578":"","S00016579":"","S00016580":"5129","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+","S00016570":"1820","S00016571":"3995","S00016572":"","S00016573":"","S00016574":"","S00016575":"1661","S00016576":"","S00016577":"","S00016578":"1676","S00016579":"2867","S00016580":"","S00016581":"5895","S00016582":"6364","S00016583":"2913","S00016584":"","S00016585":"3209","S00016586":"","S00016587":""},{"Metabolite":"N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+","S00016570":"20141","S00016571":"18299","S00016572":"41832","S00016573":"19731","S00016574":"","S00016575":"21453","S00016576":"42203","S00016577":"28637","S00016578":"17362","S00016579":"16774","S00016580":"21597","S00016581":"14996","S00016582":"22569","S00016583":"21221","S00016584":"25024","S00016585":"23223","S00016586":"38077","S00016587":"23389"},{"Metabolite":"N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+","S00016570":"4285005","S00016571":"3815079","S00016572":"4039945","S00016573":"","S00016574":"3565460","S00016575":"","S00016576":"","S00016577":"","S00016578":"3924050","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"3889579","S00016587":"4136452"},{"Metabolite":"N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+","S00016570":"62463","S00016571":"54299","S00016572":"","S00016573":"54121","S00016574":"65234","S00016575":"44433","S00016576":"75034","S00016577":"79374","S00016578":"77018","S00016579":"","S00016580":"88853","S00016581":"80750","S00016582":"88589","S00016583":"","S00016584":"78761","S00016585":"59815","S00016586":"53860","S00016587":"65216"},{"Metabolite":"N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+H)+[-H2O]","S00016570":"10564","S00016571":"24659","S00016572":"8711","S00016573":"4127","S00016574":"5122","S00016575":"6533","S00016576":"8459","S00016577":"25697","S00016578":"9713","S00016579":"6962","S00016580":"6679","S00016581":"9365","S00016582":"16966","S00016583":"10180","S00016584":"","S00016585":"5137","S00016586":"9354","S00016587":"6107"},{"Metabolite":"N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+","S00016570":"","S00016571":"26586","S00016572":"40049","S00016573":"43073","S00016574":"","S00016575":"","S00016576":"30682","S00016577":"","S00016578":"42431","S00016579":"","S00016580":"14292","S00016581":"","S00016582":"","S00016583":"34998","S00016584":"","S00016585":"","S00016586":"","S00016587":"41063"},{"Metabolite":"N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"4736","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"2350","S00016585":"","S00016586":"7225","S00016587":""},{"Metabolite":"NAD (CAS# 53-84-9); (M+2H)+2","S00016570":"332690","S00016571":"367319","S00016572":"384689","S00016573":"530597","S00016574":"470307","S00016575":"469088","S00016576":"505814","S00016577":"482143","S00016578":"474484","S00016579":"312566","S00016580":"394711","S00016581":"389074","S00016582":"375722","S00016583":"368507","S00016584":"389993","S00016585":"473802","S00016586":"497038","S00016587":"492215"},{"Metabolite":"NAD (CAS# 53-84-9); (M+H)+","S00016570":"1324265","S00016571":"1419643","S00016572":"1272194","S00016573":"1440657","S00016574":"1292862","S00016575":"1249775","S00016576":"1321854","S00016577":"1365848","S00016578":"1246896","S00016579":"1710731","S00016580":"1419488","S00016581":"1516997","S00016582":"1414184","S00016583":"1580312","S00016584":"1325036","S00016585":"1681934","S00016586":"1337532","S00016587":"1353690"},{"Metabolite":"NAD (CAS# 53-84-9); (M+NA)+","S00016570":"20047","S00016571":"20701","S00016572":"27958","S00016573":"26479","S00016574":"28929","S00016575":"29906","S00016576":"41766","S00016577":"41214","S00016578":"33019","S00016579":"31038","S00016580":"30734","S00016581":"33221","S00016582":"24264","S00016583":"22035","S00016584":"28434","S00016585":"35047","S00016586":"26505","S00016587":"22399"},{"Metabolite":"NICOTINAMIDE (CAS# 98-92-0); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"544529","S00016575":"498269","S00016576":"345985","S00016577":"338502","S00016578":"346930","S00016579":"","S00016580":"","S00016581":"287016","S00016582":"","S00016583":"280043","S00016584":"252310","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"10761","S00016577":"9872","S00016578":"15136","S00016579":"","S00016580":"","S00016581":"","S00016582":"30240","S00016583":"","S00016584":"","S00016585":"13919","S00016586":"3450","S00016587":"14787"},{"Metabolite":"NICOTINATE (CAS# 59-67-6); (M+H)+","S00016570":"656073","S00016571":"473379","S00016572":"515796","S00016573":"337898","S00016574":"287284","S00016575":"","S00016576":"636248","S00016577":"607746","S00016578":"734022","S00016579":"484956","S00016580":"532405","S00016581":"537842","S00016582":"665188","S00016583":"557345","S00016584":"588770","S00016585":"498611","S00016586":"420588","S00016587":"553720"},{"Metabolite":"NONANOATE (CAS# 112-05-0); (M+NA)+","S00016570":"","S00016571":"5923","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"NORADRENALINE (CAS# 51-41-2); (M+H)+","S00016570":"122308","S00016571":"97977","S00016572":"120636","S00016573":"117888","S00016574":"118328","S00016575":"94953","S00016576":"171800","S00016577":"181694","S00016578":"165909","S00016579":"122180","S00016580":"161258","S00016581":"145566","S00016582":"139092","S00016583":"109023","S00016584":"136109","S00016585":"108804","S00016586":"124377","S00016587":"145503"},{"Metabolite":"NORADRENALINE (CAS# 51-41-2); (M+H)+[-H2O]","S00016570":"","S00016571":"","S00016572":"","S00016573":"26940","S00016574":"","S00016575":"23300","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":"28457"},{"Metabolite":"NORLEUCINE (CAS# 327-57-1); (M+H)+","S00016570":"34900000","S00016571":"37200000","S00016572":"35400000","S00016573":"35000000","S00016574":"31600000","S00016575":"25800000","S00016576":"29300000","S00016577":"26800000","S00016578":"28700000","S00016579":"29500000","S00016580":"28900000","S00016581":"28400000","S00016582":"35000000","S00016583":"32900000","S00016584":"27400000","S00016585":"26600000","S00016586":"31900000","S00016587":"32600000"},{"Metabolite":"NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O]","S00016570":"26900000","S00016571":"28900000","S00016572":"26100000","S00016573":"23500000","S00016574":"21400000","S00016575":"17000000","S00016576":"23800000","S00016577":"25700000","S00016578":"23900000","S00016579":"22200000","S00016580":"22300000","S00016581":"21100000","S00016582":"25300000","S00016583":"25100000","S00016584":"23900000","S00016585":"23400000","S00016586":"20900000","S00016587":"21500000"},{"Metabolite":"NORVALINE (CAS# 6600-40-4); (M+H)+","S00016570":"5280767","S00016571":"5240591","S00016572":"5211652","S00016573":"4746906","S00016574":"3368606","S00016575":"2658825","S00016576":"5307277","S00016577":"5251789","S00016578":"5383002","S00016579":"4037160","S00016580":"4149834","S00016581":"4135418","S00016582":"4615452","S00016583":"4222910","S00016584":"4603416","S00016585":"4685595","S00016586":"3651026","S00016587":"3995546"},{"Metabolite":"NORVALINE (CAS# 6600-40-4); M+[-CO2H]","S00016570":"3185333","S00016571":"3127173","S00016572":"3085064","S00016573":"2838933","S00016574":"2503292","S00016575":"2080606","S00016576":"2961512","S00016577":"3008413","S00016578":"3176640","S00016579":"2189363","S00016580":"2383313","S00016581":"2427020","S00016582":"2639883","S00016583":"2488752","S00016584":"2502277","S00016585":"2596447","S00016586":"2665952","S00016587":"2904787"},{"Metabolite":"O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+","S00016570":"3144290","S00016571":"3340244","S00016572":"2794556","S00016573":"2387488","S00016574":"2136250","S00016575":"1815497","S00016576":"1735137","S00016577":"1660538","S00016578":"1428688","S00016579":"1830553","S00016580":"1847462","S00016581":"1882784","S00016582":"1410128","S00016583":"1856145","S00016584":"1350001","S00016585":"2181542","S00016586":"1606532","S00016587":"1506225"},{"Metabolite":"O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+H)+","S00016570":"1425","S00016571":"","S00016572":"","S00016573":"","S00016574":"1264","S00016575":"","S00016576":"","S00016577":"1558","S00016578":"1999","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"2438","S00016577":"2569","S00016578":"","S00016579":"","S00016580":"4385","S00016581":"3475","S00016582":"","S00016583":"","S00016584":"","S00016585":"4382","S00016586":"","S00016587":""},{"Metabolite":"O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M+H)+","S00016570":"67106","S00016571":"","S00016572":"","S00016573":"64714","S00016574":"56472","S00016575":"83896","S00016576":"65009","S00016577":"","S00016578":"71744","S00016579":"","S00016580":"55793","S00016581":"57951","S00016582":"","S00016583":"","S00016584":"74029","S00016585":"79704","S00016586":"71908","S00016587":"72436"},{"Metabolite":"O-PHOSPHOSERINE (CAS# 407-41-0); (M+H)+","S00016570":"67106","S00016571":"","S00016572":"","S00016573":"64714","S00016574":"56472","S00016575":"82462","S00016576":"65009","S00016577":"","S00016578":"71744","S00016579":"","S00016580":"55793","S00016581":"57951","S00016582":"","S00016583":"","S00016584":"74029","S00016585":"79704","S00016586":"71908","S00016587":"72436"},{"Metabolite":"O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"12936","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"1824","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"OLEAMIDE (CAS# 301-02-0); (M+H)+","S00016570":"","S00016571":"","S00016572":"1142","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"1706","S00016587":""},{"Metabolite":"OLEIC ACID (CAS# 112-80-1); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"1046","S00016586":"","S00016587":""},{"Metabolite":"OLEIC ACID (CAS# 112-80-1); (M+NA)+","S00016570":"601224","S00016571":"316736","S00016572":"481524","S00016573":"541207","S00016574":"371199","S00016575":"630789","S00016576":"52450","S00016577":"449723","S00016578":"486022","S00016579":"581420","S00016580":"784217","S00016581":"27713","S00016582":"19620","S00016583":"502242","S00016584":"389288","S00016585":"633925","S00016586":"388997","S00016587":"539823"},{"Metabolite":"OMEPRAZOLE (CAS# 73590-58-6); (M+H)+","S00016570":"35457","S00016571":"3250","S00016572":"6428","S00016573":"2103","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+","S00016570":"2887035","S00016571":"2713325","S00016572":"2464889","S00016573":"4343737","S00016574":"3992502","S00016575":"3126652","S00016576":"2972006","S00016577":"3050050","S00016578":"2966253","S00016579":"2561799","S00016580":"2337760","S00016581":"2541085","S00016582":"1894912","S00016583":"2261067","S00016584":"1850830","S00016585":"1411800","S00016586":"1264636","S00016587":"1264409"},{"Metabolite":"OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2","S00016570":"14200000","S00016571":"14200000","S00016572":"15700000","S00016573":"13000000","S00016574":"9239662","S00016575":"10600000","S00016576":"9661936","S00016577":"9063916","S00016578":"8569482","S00016579":"9997338","S00016580":"11900000","S00016581":"12300000","S00016582":"12200000","S00016583":"13100000","S00016584":"14200000","S00016585":"13000000","S00016586":"12600000","S00016587":"12700000"},{"Metabolite":"OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+","S00016570":"9320334","S00016571":"8942590","S00016572":"9604090","S00016573":"6806620","S00016574":"4742931","S00016575":"6046585","S00016576":"5621963","S00016577":"5213739","S00016578":"4663463","S00016579":"6293702","S00016580":"7579914","S00016581":"7459175","S00016582":"6957153","S00016583":"7777564","S00016584":"8203404","S00016585":"8022557","S00016586":"6847254","S00016587":"6798811"},{"Metabolite":"PALATINOSE (CAS# 343336-76-5); (M+NA)+","S00016570":"3716","S00016571":"1753","S00016572":"4513","S00016573":"","S00016574":"6866","S00016575":"","S00016576":"39307","S00016577":"6781","S00016578":"8621","S00016579":"","S00016580":"8059","S00016581":"8637","S00016582":"20852","S00016583":"","S00016584":"20476","S00016585":"6664","S00016586":"4426","S00016587":"7918"},{"Metabolite":"PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+","S00016570":"184087","S00016571":"238488","S00016572":"225629","S00016573":"347461","S00016574":"292172","S00016575":"321981","S00016576":"103251","S00016577":"106393","S00016578":"74725","S00016579":"222729","S00016580":"219414","S00016581":"209485","S00016582":"431358","S00016583":"1183013","S00016584":"596493","S00016585":"145050","S00016586":"107064","S00016587":"106504"},{"Metabolite":"PALMITOYLCARNITINE (CAS# 2364-67-2); (M+NA)+","S00016570":"131400","S00016571":"185674","S00016572":"164887","S00016573":"264572","S00016574":"221399","S00016575":"235226","S00016576":"80642","S00016577":"81120","S00016578":"55551","S00016579":"156700","S00016580":"156233","S00016581":"137332","S00016582":"342137","S00016583":"908086","S00016584":"454597","S00016585":"105006","S00016586":"78824","S00016587":"77985"},{"Metabolite":"PANTOTHENATE (CAS# 79-83-4); (M+H)+","S00016570":"1996725","S00016571":"2199977","S00016572":"1832680","S00016573":"1904087","S00016574":"1698148","S00016575":"1368352","S00016576":"2892279","S00016577":"2888271","S00016578":"2447548","S00016579":"2359889","S00016580":"2393905","S00016581":"2160920","S00016582":"2021767","S00016583":"2286167","S00016584":"1834218","S00016585":"3324324","S00016586":"2677690","S00016587":"2627192"},{"Metabolite":"PANTOTHENATE (CAS# 79-83-4); (M+NA)+","S00016570":"3167181","S00016571":"3517048","S00016572":"2958532","S00016573":"2951726","S00016574":"2647409","S00016575":"2017443","S00016576":"4271198","S00016577":"4374818","S00016578":"3729456","S00016579":"3513903","S00016580":"3643104","S00016581":"3255185","S00016582":"3187138","S00016583":"3554849","S00016584":"2898059","S00016585":"4829596","S00016586":"4066488","S00016587":"3954507"},{"Metabolite":"PARAXANTHINE (CAS# 611-59-6); (M+NA)+","S00016570":"23955","S00016571":"22149","S00016572":"22931","S00016573":"29886","S00016574":"","S00016575":"","S00016576":"54064","S00016577":"","S00016578":"45037","S00016579":"","S00016580":"36357","S00016581":"26848","S00016582":"45815","S00016583":"38398","S00016584":"","S00016585":"12881","S00016586":"34179","S00016587":""},{"Metabolite":"PHENETHYLAMINE (CAS# 64-04-0); (M+H)+","S00016570":"7913","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"15753","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"PHENYLALANINE (CAS# 63-91-2); (M+H)+","S00016570":"26900000","S00016571":"28900000","S00016572":"26100000","S00016573":"23500000","S00016574":"21400000","S00016575":"17000000","S00016576":"23800000","S00016577":"25700000","S00016578":"23900000","S00016579":"22200000","S00016580":"22300000","S00016581":"21100000","S00016582":"25300000","S00016583":"25100000","S00016584":"23900000","S00016585":"23400000","S00016586":"20900000","S00016587":"21500000"},{"Metabolite":"PHENYLALANINE (CAS# 63-91-2); (M+NA)+","S00016570":"411314","S00016571":"368344","S00016572":"413537","S00016573":"387245","S00016574":"363790","S00016575":"336009","S00016576":"422391","S00016577":"410206","S00016578":"423645","S00016579":"391141","S00016580":"392708","S00016581":"376267","S00016582":"377520","S00016583":"329551","S00016584":"419462","S00016585":"363725","S00016586":"355456","S00016587":"356493"},{"Metabolite":"PHOSPHOCREATINE (CAS# 67-07-2); (M+H)+","S00016570":"520012","S00016571":"431258","S00016572":"575759","S00016573":"741182","S00016574":"574854","S00016575":"965042","S00016576":"","S00016577":"","S00016578":"693831","S00016579":"656416","S00016580":"","S00016581":"433437","S00016582":"347974","S00016583":"339154","S00016584":"425540","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"PHTHALATE (CAS# 88-99-3); (M+NA)+","S00016570":"","S00016571":"","S00016572":"5693","S00016573":"","S00016574":"4159","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"11020","S00016580":"14121","S00016581":"6858","S00016582":"28258","S00016583":"18304","S00016584":"8406","S00016585":"1811","S00016586":"","S00016587":""},{"Metabolite":"PHYLLOQUINONE (CAS# 84-80-0); (M+H)+","S00016570":"","S00016571":"","S00016572":"11361","S00016573":"","S00016574":"9763","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"7554","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"53796","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"PICOLINIC ACID (CAS# 98-98-6); (M+H)+","S00016570":"75357","S00016571":"28726","S00016572":"515796","S00016573":"337898","S00016574":"287284","S00016575":"","S00016576":"636248","S00016577":"607746","S00016578":"734008","S00016579":"484956","S00016580":"532405","S00016581":"537842","S00016582":"2859","S00016583":"557465","S00016584":"588823","S00016585":"498611","S00016586":"420588","S00016587":"553720"},{"Metabolite":"PINITOL (CAS# 10284-63-6); (M+NA)+","S00016570":"5212","S00016571":"6211","S00016572":"14929","S00016573":"20479","S00016574":"17671","S00016575":"12176","S00016576":"","S00016577":"27616","S00016578":"","S00016579":"4682","S00016580":"3535","S00016581":"7301","S00016582":"","S00016583":"","S00016584":"","S00016585":"6475","S00016586":"2818","S00016587":"6345"},{"Metabolite":"PIPECOLATE (CAS# 535-75-1); (M+H)+","S00016570":"34867","S00016571":"35640","S00016572":"43305","S00016573":"53432","S00016574":"46465","S00016575":"41856","S00016576":"32902","S00016577":"29274","S00016578":"32729","S00016579":"27712","S00016580":"29828","S00016581":"27767","S00016582":"41105","S00016583":"32631","S00016584":"41566","S00016585":"25033","S00016586":"36168","S00016587":"33033"},{"Metabolite":"PIPECOLATE (CAS# 535-75-1); (M+NA)+","S00016570":"","S00016571":"30460","S00016572":"28184","S00016573":"32569","S00016574":"28728","S00016575":"23300","S00016576":"32743","S00016577":"34347","S00016578":"35501","S00016579":"","S00016580":"25504","S00016581":"36696","S00016582":"","S00016583":"21284","S00016584":"","S00016585":"18567","S00016586":"25735","S00016587":"33140"},{"Metabolite":"PORPHOBILINOGEN (CAS# 487-90-1); (M+NA)+","S00016570":"2107","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"2899","S00016586":"","S00016587":""},{"Metabolite":"PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M+H)+","S00016570":"2464","S00016571":"2330","S00016572":"2375","S00016573":"","S00016574":"","S00016575":"1925","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"1035","S00016584":"","S00016585":"","S00016586":"2000","S00016587":""},{"Metabolite":"PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M+NA)+","S00016570":"","S00016571":"2417","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"1842","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"PROGESTERONE (CAS# 57-83-0); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"1325","S00016575":"1388","S00016576":"1527","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"1123","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"PROLINE (CAS# 147-85-3); (M+H)+","S00016570":"2242767","S00016571":"2145231","S00016572":"1998373","S00016573":"1874565","S00016574":"1555260","S00016575":"1396040","S00016576":"2009663","S00016577":"2140959","S00016578":"2351755","S00016579":"1448865","S00016580":"1477894","S00016581":"1384638","S00016582":"1423355","S00016583":"1346006","S00016584":"1392056","S00016585":"2416235","S00016586":"2773607","S00016587":"2713753"},{"Metabolite":"PROLINE (CAS# 147-85-3); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"1715","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+","S00016570":"","S00016571":"4976","S00016572":"4493","S00016573":"3151","S00016574":"","S00016575":"2560","S00016576":"1366","S00016577":"1921","S00016578":"1702","S00016579":"4805","S00016580":"","S00016581":"","S00016582":"1007","S00016583":"5359","S00016584":"2874","S00016585":"4207","S00016586":"","S00016587":"2794"},{"Metabolite":"PTERIN (CAS# 2236-60-4); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"1783","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"2879","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"PURINE (CAS# 120-73-0); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"1289","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"PYRIDOXAL (CAS# 66-72-8); (M+H)+","S00016570":"","S00016571":"23934","S00016572":"","S00016573":"","S00016574":"20789","S00016575":"19122","S00016576":"22283","S00016577":"19585","S00016578":"24792","S00016579":"16391","S00016580":"23827","S00016581":"21560","S00016582":"","S00016583":"21729","S00016584":"","S00016585":"24980","S00016586":"24518","S00016587":"20250"},{"Metabolite":"PYRIDOXAL (CAS# 66-72-8); (M+H)+[-H2O]","S00016570":"","S00016571":"","S00016572":"","S00016573":"19198","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"30844","S00016585":"","S00016586":"12656","S00016587":"23677"},{"Metabolite":"PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (M+H)+","S00016570":"78330","S00016571":"77985","S00016572":"68719","S00016573":"54615","S00016574":"55733","S00016575":"36958","S00016576":"51647","S00016577":"51785","S00016578":"49199","S00016579":"56779","S00016580":"48611","S00016581":"54515","S00016582":"52322","S00016583":"66031","S00016584":"52396","S00016585":"54758","S00016586":"41849","S00016587":"41573"},{"Metabolite":"PYRIDOXINE (CAS# 65-23-6); (M+H)+","S00016570":"1028762","S00016571":"1037720","S00016572":"970041","S00016573":"807114","S00016574":"782607","S00016575":"578491","S00016576":"1087432","S00016577":"1097007","S00016578":"1029636","S00016579":"968030","S00016580":"1169572","S00016581":"1188525","S00016582":"1080399","S00016583":"1106228","S00016584":"1015094","S00016585":"926835","S00016586":"713384","S00016587":"849211"},{"Metabolite":"QUINATE (CAS# 77-95-2); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"1785","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"1988","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"1180","S00016587":""},{"Metabolite":"RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)+","S00016570":"52702","S00016571":"42135","S00016572":"64529","S00016573":"59250","S00016574":"49714","S00016575":"77923","S00016576":"50484","S00016577":"56085","S00016578":"54606","S00016579":"82480","S00016580":"54393","S00016581":"70162","S00016582":"71638","S00016583":"44526","S00016584":"","S00016585":"47078","S00016586":"52357","S00016587":"67826"},{"Metabolite":"RAFFINOSE (CAS# 512-69-6); (M+K)+","S00016570":"20408","S00016571":"19072","S00016572":"13420","S00016573":"16602","S00016574":"15716","S00016575":"13816","S00016576":"65909","S00016577":"41528","S00016578":"53151","S00016579":"21928","S00016580":"25066","S00016581":"18125","S00016582":"56264","S00016583":"39676","S00016584":"44752","S00016585":"39043","S00016586":"23722","S00016587":"24518"},{"Metabolite":"RAFFINOSE (CAS# 512-69-6); (M+NA)+","S00016570":"7538","S00016571":"7084","S00016572":"5084","S00016573":"","S00016574":"7518","S00016575":"3774","S00016576":"40338","S00016577":"","S00016578":"29976","S00016579":"","S00016580":"","S00016581":"","S00016582":"26515","S00016583":"16430","S00016584":"22623","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"RIBOFLAVIN (CAS# 83-88-5); (M+H)+","S00016570":"14908","S00016571":"8942","S00016572":"7001","S00016573":"5103","S00016574":"4210","S00016575":"3151","S00016576":"7804","S00016577":"7542","S00016578":"9206","S00016579":"10104","S00016580":"8131","S00016581":"8297","S00016582":"7918","S00016583":"9523","S00016584":"8365","S00016585":"9065","S00016586":"5151","S00016587":"6082"},{"Metabolite":"RIBOFLAVIN (CAS# 83-88-5); (M+NA)+","S00016570":"38471","S00016571":"22992","S00016572":"17856","S00016573":"11954","S00016574":"9166","S00016575":"8041","S00016576":"23904","S00016577":"22525","S00016578":"21082","S00016579":"24535","S00016580":"27513","S00016581":"25677","S00016582":"23065","S00016583":"25630","S00016584":"23936","S00016585":"25018","S00016586":"16176","S00016587":"17459"},{"Metabolite":"S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+","S00016570":"251067","S00016571":"244521","S00016572":"200345","S00016573":"","S00016574":"141504","S00016575":"100089","S00016576":"88249","S00016577":"90320","S00016578":"77723","S00016579":"237889","S00016580":"163566","S00016581":"172920","S00016582":"154709","S00016583":"184921","S00016584":"116187","S00016585":"","S00016586":"97806","S00016587":"99131"},{"Metabolite":"S-ADENOSYLMETHIONINE (CAS# 29908-03-0); (M+H)+","S00016570":"100303","S00016571":"115937","S00016572":"77852","S00016573":"78131","S00016574":"77474","S00016575":"211589","S00016576":"76955","S00016577":"41705","S00016578":"337285","S00016579":"128963","S00016580":"67374","S00016581":"92404","S00016582":"79505","S00016583":"52895","S00016584":"222832","S00016585":"50707","S00016586":"50226","S00016587":"56674"},{"Metabolite":"SALICYLAMIDE (CAS# 65-45-2); (M+H)+","S00016570":"","S00016571":"","S00016572":"3190","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"SARCOSINE (CAS# 107-97-1); (M+H)+","S00016570":"118301","S00016571":"127859","S00016572":"119151","S00016573":"150762","S00016574":"135526","S00016575":"116623","S00016576":"82821","S00016577":"69121","S00016578":"96690","S00016579":"119783","S00016580":"124469","S00016581":"","S00016582":"124100","S00016583":"","S00016584":"","S00016585":"103850","S00016586":"112517","S00016587":"83808"},{"Metabolite":"SEBACIC ACID (CAS# 111-20-6); (M+NA)+","S00016570":"","S00016571":"","S00016572":"4147","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"1443","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"SELENOCYSTAMINE (CAS# 2697-61-2); (M+H)+","S00016570":"2987","S00016571":"3612","S00016572":"","S00016573":"7272","S00016574":"5360","S00016575":"13583","S00016576":"2401","S00016577":"3667","S00016578":"2656","S00016579":"","S00016580":"1746","S00016581":"2308","S00016582":"","S00016583":"4922","S00016584":"8069","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"SERINE (CAS# 56-45-1); (M+H)+","S00016570":"30967","S00016571":"30302","S00016572":"30837","S00016573":"27082","S00016574":"23342","S00016575":"","S00016576":"18024","S00016577":"24315","S00016578":"24837","S00016579":"23894","S00016580":"23331","S00016581":"21106","S00016582":"24183","S00016583":"26178","S00016584":"24292","S00016585":"21070","S00016586":"22016","S00016587":"24993"},{"Metabolite":"SHIKIMATE (CAS# 138-59-0); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"1217","S00016586":"","S00016587":""},{"Metabolite":"SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+H)+","S00016570":"370609","S00016571":"458980","S00016572":"813500","S00016573":"694462","S00016574":"691262","S00016575":"647680","S00016576":"759423","S00016577":"825436","S00016578":"205463","S00016579":"338341","S00016580":"488808","S00016581":"572528","S00016582":"60684","S00016583":"114599","S00016584":"52643","S00016585":"184993","S00016586":"358756","S00016587":"397449"},{"Metabolite":"SPERMIDINE (CAS# 124-20-9); (M+H)+","S00016570":"338346","S00016571":"327516","S00016572":"262184","S00016573":"96327","S00016574":"75369","S00016575":"76669","S00016576":"342675","S00016577":"156077","S00016578":"260928","S00016579":"231424","S00016580":"168619","S00016581":"214579","S00016582":"123803","S00016583":"131343","S00016584":"49915","S00016585":"135242","S00016586":"103824","S00016587":"134322"},{"Metabolite":"SPERMINE (CAS# 71-44-3); (M+H)+","S00016570":"","S00016571":"3828","S00016572":"","S00016573":"2546","S00016574":"2817","S00016575":"","S00016576":"4039","S00016577":"4914","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"1983","S00016585":"1520","S00016586":"3330","S00016587":"5117"},{"Metabolite":"SPHINGANINE (CAS# 764-22-7); (M+H)+","S00016570":"5330","S00016571":"16653","S00016572":"18627","S00016573":"9264","S00016574":"5144","S00016575":"7306","S00016576":"17352","S00016577":"","S00016578":"44457","S00016579":"","S00016580":"4533","S00016581":"3982","S00016582":"4739","S00016583":"42227","S00016584":"17963","S00016585":"14722","S00016586":"12893","S00016587":"12337"},{"Metabolite":"SPHINGOSINE (CAS# 123-78-4); (M+H)+","S00016570":"12745","S00016571":"43524","S00016572":"43048","S00016573":"20821","S00016574":"15599","S00016575":"18415","S00016576":"60533","S00016577":"48290","S00016578":"23698","S00016579":"9305","S00016580":"15125","S00016581":"13374","S00016582":"11711","S00016583":"107400","S00016584":"37155","S00016585":"47893","S00016586":"37230","S00016587":"38108"},{"Metabolite":"SPHINGOSINE (CAS# 123-78-4); (M+H)+[-H2O]","S00016570":"","S00016571":"18686","S00016572":"18211","S00016573":"","S00016574":"7639","S00016575":"","S00016576":"25192","S00016577":"20456","S00016578":"","S00016579":"","S00016580":"5419","S00016581":"","S00016582":"","S00016583":"49235","S00016584":"16926","S00016585":"20582","S00016586":"","S00016587":"15887"},{"Metabolite":"SPHINGOSINE (CAS# 123-78-4); (M+NA)+","S00016570":"","S00016571":"149276","S00016572":"151772","S00016573":"75268","S00016574":"","S00016575":"","S00016576":"213517","S00016577":"157959","S00016578":"75793","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"385718","S00016584":"128576","S00016585":"176359","S00016586":"130006","S00016587":"133117"},{"Metabolite":"SQUALENE (CAS# 111-02-4); (M+K)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"1006","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"STACHYOSE (CAS# 54261-98-2); (M+K)+","S00016570":"15467","S00016571":"13811","S00016572":"9624","S00016573":"11389","S00016574":"10784","S00016575":"8320","S00016576":"35089","S00016577":"21075","S00016578":"30462","S00016579":"14045","S00016580":"10820","S00016581":"11293","S00016582":"24232","S00016583":"18786","S00016584":"22805","S00016585":"18275","S00016586":"12121","S00016587":"11866"},{"Metabolite":"STACHYOSE (CAS# 54261-98-2); (M+NA)+","S00016570":"6647","S00016571":"4287","S00016572":"","S00016573":"","S00016574":"1353","S00016575":"","S00016576":"34307","S00016577":"17302","S00016578":"21778","S00016579":"9197","S00016580":"10332","S00016581":"6954","S00016582":"21209","S00016583":"","S00016584":"17919","S00016585":"8796","S00016586":"6618","S00016587":"8050"},{"Metabolite":"SUBERIC ACID (CAS# 505-48-6); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"20051","S00016574":"","S00016575":"","S00016576":"","S00016577":"19750","S00016578":"","S00016579":"","S00016580":"","S00016581":"34839","S00016582":"22696","S00016583":"","S00016584":"21409","S00016585":"16107","S00016586":"19205","S00016587":""},{"Metabolite":"SUCROSE (CAS# 57-50-1); (M+NA)+","S00016570":"4708","S00016571":"1753","S00016572":"4513","S00016573":"","S00016574":"6866","S00016575":"","S00016576":"39307","S00016577":"6781","S00016578":"8621","S00016579":"","S00016580":"8059","S00016581":"8637","S00016582":"20852","S00016583":"","S00016584":"20476","S00016585":"6664","S00016586":"4426","S00016587":"7918"},{"Metabolite":"SULFADIMETHOXINE (CAS# 122-11-2); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"3293","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"TAURINE (CAS# 107-35-7); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"49409","S00016574":"","S00016575":"43879","S00016576":"","S00016577":"","S00016578":"","S00016579":"36409","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"69564","S00016586":"84767","S00016587":"75515"},{"Metabolite":"TAURINE (CAS# 107-35-7); (M+K)+","S00016570":"17127","S00016571":"20067","S00016572":"14651","S00016573":"13888","S00016574":"5073","S00016575":"","S00016576":"","S00016577":"3924","S00016578":"4466","S00016579":"","S00016580":"","S00016581":"8135","S00016582":"","S00016583":"","S00016584":"","S00016585":"23182","S00016586":"28712","S00016587":""},{"Metabolite":"TAURINE (CAS# 107-35-7); (M+NA)+","S00016570":"22578","S00016571":"16544","S00016572":"18505","S00016573":"12039","S00016574":"16938","S00016575":"8821","S00016576":"29935","S00016577":"33378","S00016578":"36142","S00016579":"14453","S00016580":"","S00016581":"17786","S00016582":"4912","S00016583":"","S00016584":"5339","S00016585":"30873","S00016586":"25727","S00016587":"33371"},{"Metabolite":"TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+","S00016570":"","S00016571":"","S00016572":"29370","S00016573":"","S00016574":"17069","S00016575":"32598","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"21056","S00016581":"","S00016582":"","S00016583":"16355","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+[-H2O]","S00016570":"44639","S00016571":"","S00016572":"53530","S00016573":"6232","S00016574":"","S00016575":"28615","S00016576":"","S00016577":"7109","S00016578":"19926","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"24598","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"THEOBROMINE (CAS# 83-67-0); (M+NA)+","S00016570":"21913","S00016571":"","S00016572":"26116","S00016573":"20447","S00016574":"20218","S00016575":"13788","S00016576":"33655","S00016577":"37349","S00016578":"36094","S00016579":"29482","S00016580":"40545","S00016581":"42886","S00016582":"41208","S00016583":"33659","S00016584":"44761","S00016585":"18923","S00016586":"19903","S00016587":"30663"},{"Metabolite":"THEOPHYLLINE (CAS# 58-55-9); (M+NA)+","S00016570":"23955","S00016571":"22327","S00016572":"22931","S00016573":"21010","S00016574":"30242","S00016575":"","S00016576":"54100","S00016577":"","S00016578":"44690","S00016579":"","S00016580":"35503","S00016581":"26848","S00016582":"41036","S00016583":"39263","S00016584":"45168","S00016585":"13051","S00016586":"31019","S00016587":""},{"Metabolite":"THIAMIN (CAS# 59-43-8); M+","S00016570":"340402","S00016571":"323038","S00016572":"338837","S00016573":"376647","S00016574":"347081","S00016575":"322788","S00016576":"340210","S00016577":"347362","S00016578":"357396","S00016579":"360633","S00016580":"382591","S00016581":"393740","S00016582":"381275","S00016583":"373453","S00016584":"388752","S00016585":"273603","S00016586":"266634","S00016587":"301082"},{"Metabolite":"THIAMIN (CAS# 59-43-8); M+[-C6H9NOS]","S00016570":"74191","S00016571":"73198","S00016572":"76169","S00016573":"81168","S00016574":"74322","S00016575":"64149","S00016576":"71861","S00016577":"78087","S00016578":"77786","S00016579":"65165","S00016580":"80814","S00016581":"84026","S00016582":"74983","S00016583":"79253","S00016584":"83494","S00016585":"52598","S00016586":"51374","S00016587":"66062"},{"Metabolite":"THREONINE (CAS# 72-19-5); (M+H)+[-H2O]","S00016570":"121633","S00016571":"128107","S00016572":"316881","S00016573":"345973","S00016574":"","S00016575":"","S00016576":"","S00016577":"279123","S00016578":"325294","S00016579":"291114","S00016580":"300513","S00016581":"","S00016582":"","S00016583":"311570","S00016584":"","S00016585":"279186","S00016586":"","S00016587":"312094"},{"Metabolite":"THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"3118","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"6471","S00016574":"5599","S00016575":"","S00016576":"3638","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"5187","S00016582":"3232","S00016583":"","S00016584":"3669","S00016585":"","S00016586":"7339","S00016587":""},{"Metabolite":"TRICARBALLYLIC ACID (CAS# 99-14-9); (M+H)+[-H2O]","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"16023","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"TRYPTAMINE (CAS# 61-54-1); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"1597","S00016582":"","S00016583":"4254","S00016584":"","S00016585":"","S00016586":"","S00016587":"2734"},{"Metabolite":"TRYPTOPHAN (CAS# 73-22-3); (M+H)+","S00016570":"5591797","S00016571":"6463139","S00016572":"5466346","S00016573":"","S00016574":"","S00016575":"","S00016576":"4712035","S00016577":"4799320","S00016578":"4205242","S00016579":"4162906","S00016580":"4734431","S00016581":"4173346","S00016582":"4769843","S00016583":"5211635","S00016584":"4284194","S00016585":"4859360","S00016586":"3594775","S00016587":"3738198"},{"Metabolite":"TRYPTOPHAN (CAS# 73-22-3); (M+NA)+","S00016570":"383867","S00016571":"396256","S00016572":"382559","S00016573":"","S00016574":"","S00016575":"229517","S00016576":"367431","S00016577":"353854","S00016578":"326687","S00016579":"330427","S00016580":"367230","S00016581":"326980","S00016582":"343556","S00016583":"332414","S00016584":"331227","S00016585":"349515","S00016586":"279621","S00016587":"292676"},{"Metabolite":"TRYPTOPHANAMIDE (CAS# 20696-57-5); (M+H)+","S00016570":"","S00016571":"","S00016572":"2955","S00016573":"","S00016574":"","S00016575":"7304","S00016576":"4113","S00016577":"","S00016578":"5310","S00016579":"1929","S00016580":"7745","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"TYROSINE (CAS# 60-18-4); (M+H)+","S00016570":"17200000","S00016571":"18300000","S00016572":"17000000","S00016573":"14400000","S00016574":"13900000","S00016575":"10400000","S00016576":"14800000","S00016577":"15300000","S00016578":"15300000","S00016579":"13000000","S00016580":"12400000","S00016581":"12700000","S00016582":"14900000","S00016583":"15600000","S00016584":"14200000","S00016585":"13400000","S00016586":"12500000","S00016587":"13000000"},{"Metabolite":"UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+H)+[-H2O]","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"2884","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+NA)+","S00016570":"10859","S00016571":"29008","S00016572":"31239","S00016573":"32007","S00016574":"37912","S00016575":"27708","S00016576":"23296","S00016577":"30319","S00016578":"21918","S00016579":"12608","S00016580":"21728","S00016581":"19880","S00016582":"24029","S00016583":"21899","S00016584":"28549","S00016585":"15021","S00016586":"20423","S00016587":"21305"},{"Metabolite":"URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"1037","S00016586":"","S00016587":""},{"Metabolite":"URATE (CAS# 69-93-2); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"53666","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"URIDINE (CAS# 58-96-8); (M+H)+","S00016570":"","S00016571":"22836","S00016572":"","S00016573":"","S00016574":"10137","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"2484","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"URIDINE (CAS# 58-96-8); (M+NA)+","S00016570":"147957","S00016571":"58515","S00016572":"42102","S00016573":"","S00016574":"26538","S00016575":"15409","S00016576":"31289","S00016577":"16762","S00016578":"37222","S00016579":"58906","S00016580":"48474","S00016581":"26108","S00016582":"38703","S00016583":"","S00016584":"27288","S00016585":"24219","S00016586":"18589","S00016587":""},{"Metabolite":"URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"1187","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"1085","S00016587":""},{"Metabolite":"UROCANATE (CAS# 104-98-3); (M+H)+","S00016570":"33045","S00016571":"8176","S00016572":"43344","S00016573":"5235","S00016574":"29961","S00016575":"","S00016576":"7087","S00016577":"","S00016578":"22623","S00016579":"28306","S00016580":"29313","S00016581":"37334","S00016582":"","S00016583":"26061","S00016584":"","S00016585":"33142","S00016586":"","S00016587":""},{"Metabolite":"URSODIOL (CAS# 128-13-2); (M+NA)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"17145","S00016582":"","S00016583":"2719","S00016584":"","S00016585":"21552","S00016586":"","S00016587":""},{"Metabolite":"VALINE (CAS# 72-18-4); (M+H)+","S00016570":"5341122","S00016571":"5242998","S00016572":"5211652","S00016573":"4814638","S00016574":"3368606","S00016575":"2658825","S00016576":"5307277","S00016577":"5251789","S00016578":"5594289","S00016579":"4037160","S00016580":"4149429","S00016581":"4164647","S00016582":"4612788","S00016583":"4222910","S00016584":"4603416","S00016585":"4519066","S00016586":"3651026","S00016587":"3995546"},{"Metabolite":"VALINE (CAS# 72-18-4); (M+NA)+","S00016570":"","S00016571":"","S00016572":"20826","S00016573":"17359","S00016574":"","S00016575":"14596","S00016576":"","S00016577":"32576","S00016578":"33386","S00016579":"","S00016580":"23083","S00016581":"","S00016582":"","S00016583":"11765","S00016584":"23270","S00016585":"9814","S00016586":"","S00016587":""},{"Metabolite":"XANTHINE (CAS# 69-89-6); (M+H)+","S00016570":"74389","S00016571":"46389","S00016572":"47466","S00016573":"48995","S00016574":"43002","S00016575":"30424","S00016576":"68685","S00016577":"61432","S00016578":"61059","S00016579":"","S00016580":"53423","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":"39400"},{"Metabolite":"XANTHOSINE (CAS# 146-80-5); (M+H)+","S00016570":"","S00016571":"41640","S00016572":"39367","S00016573":"14751","S00016574":"10543","S00016575":"8083","S00016576":"23490","S00016577":"23959","S00016578":"20788","S00016579":"32741","S00016580":"32546","S00016581":"28305","S00016582":"39539","S00016583":"39283","S00016584":"36965","S00016585":"20064","S00016586":"16959","S00016587":"16330"},{"Metabolite":"XANTHOSINE 5'-PHOSPHATE (CAS# 523-98-8); (2M+H)+","S00016570":"15148","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"","S00016578":"","S00016579":"","S00016580":"10173","S00016581":"","S00016582":"","S00016583":"6461","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"XANTHOSINE 5'-PHOSPHATE (CAS# 523-98-8); (M+H)+","S00016570":"","S00016571":"","S00016572":"","S00016573":"","S00016574":"","S00016575":"","S00016576":"","S00016577":"1380","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"","S00016584":"","S00016585":"","S00016586":"","S00016587":""},{"Metabolite":"XANTHURENIC ACID (CAS# 59-00-7); (M+H)+","S00016570":"8002","S00016571":"7426","S00016572":"4517","S00016573":"5679","S00016574":"4596","S00016575":"2578","S00016576":"6396","S00016577":"7701","S00016578":"5740","S00016579":"4806","S00016580":"4158","S00016581":"5601","S00016582":"7452","S00016583":"6543","S00016584":"4034","S00016585":"8110","S00016586":"6641","S00016587":"8039"},{"Metabolite":"XYLOSE (CAS# 58-86-6); (2M+NA)+[-H2O]","S00016570":"","S00016571":"","S00016572":"21646","S00016573":"","S00016574":"","S00016575":"","S00016576":"10329","S00016577":"","S00016578":"","S00016579":"","S00016580":"","S00016581":"","S00016582":"","S00016583":"6396","S00016584":"","S00016585":"36713","S00016586":"","S00016587":""},{"Metabolite":"ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+","S00016570":"6162313","S00016571":"6914733","S00016572":"6905322","S00016573":"8953278","S00016574":"8101013","S00016575":"7108769","S00016576":"8299518","S00016577":"8473119","S00016578":"7684097","S00016579":"6705049","S00016580":"7567983","S00016581":"7854297","S00016582":"6426546","S00016583":"9092691","S00016584":"6536291","S00016585":"8776292","S00016586":"6874302","S00016587":"7881635"}],

"Metabolites":[{"Metabolite":"(2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M+H)+","moverz_quant":"125.025","ri":"1.06","ri_type":"","pubchem_id":"339","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR L-MIMOSINE (CAS# 500-44-7); (M+H)+","moverz_quant":"198.0656","ri":"0.675","ri_type":"","pubchem_id":"440473","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"1-(4-HYDROXYPHENYL)-2-AMINOETHANOL (CAS# 104-14-3); (M+H)+[-H2O]","moverz_quant":"153.0781","ri":"0.51","ri_type":"","pubchem_id":"4581","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8); (M+H)+","moverz_quant":"101.0481","ri":"0.846","ri_type":"","pubchem_id":"5460234","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+","moverz_quant":"281.1127","ri":"3.059","ri_type":"","pubchem_id":"27476","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"1-METHYLNICOTINAMIDE (CAS# ); M+","moverz_quant":"137.0716","ri":"0.665","ri_type":"","pubchem_id":"457","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O]","moverz_quant":"356.2895","ri":"22.92","ri_type":"","pubchem_id":"5283468","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+","moverz_quant":"356.2942","ri":"22.738","ri_type":"","pubchem_id":"5283468","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"1-PHENYLETHANOL (CAS# 1445-91-6); (M+H)+[-H2O]","moverz_quant":"122.0732","ri":"2.923","ri_type":"","pubchem_id":"7409","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"16:0 LYSO PC (CAS# 17364-16-8); (M+H)+","moverz_quant":"495.3307","ri":"22.317","ri_type":"","pubchem_id":"460602","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+","moverz_quant":"495.3335","ri":"22.255","ri_type":"","pubchem_id":"460602","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"16:0-18:0 PC (CAS# 59403-51-9); (M+H)+","moverz_quant":"761.5873","ri":"25.316","ri_type":"","pubchem_id":"18631368","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+","moverz_quant":"761.5873","ri":"25.533","ri_type":"","pubchem_id":"18631368","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"18:0 LYSO-PE (CAS# 69747-55-3); (2M+H)+","moverz_quant":"481.317","ri":"22.966","ri_type":"","pubchem_id":"9547068","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+","moverz_quant":"481.3197","ri":"22.715","ri_type":"","pubchem_id":"9547068","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+","moverz_quant":"481.3201","ri":"22.442","ri_type":"","pubchem_id":"9547068","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2'-DEOXYINOSINE (CAS# 890-38-0); (2M+H)+","moverz_quant":"252.0875","ri":"2.096","ri_type":"","pubchem_id":"65058","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2'-DEOXYINOSINE (CAS# 890-38-0); (M+H)+","moverz_quant":"252.088","ri":"2.108","ri_type":"","pubchem_id":"65058","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2'-DEOXYINOSINE (CAS# 890-38-0); (M+NA)+","moverz_quant":"252.0869","ri":"2.101","ri_type":"","pubchem_id":"65058","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2-(DIPHENYLMETHOXY)-N-METHYLETHYLAMINE (CAS# 17471-10-2); (M+H)+","moverz_quant":"241.1464","ri":"10.841","ri_type":"","pubchem_id":"40791","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2-HYDROXYPYRIDINE (CAS# 142-08-5); (M+H)+","moverz_quant":"95.0373","ri":"1.728","ri_type":"","pubchem_id":"8871","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+","moverz_quant":"146.0588","ri":"3.584","ri_type":"","pubchem_id":"12046","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2O]","moverz_quant":"87.069","ri":"0.793","ri_type":"","pubchem_id":"9023","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+","moverz_quant":"551.3984","ri":"23.085","ri_type":"","pubchem_id":"24779473","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+H)+","moverz_quant":"814.6915","ri":"28.141","ri_type":"","pubchem_id":"44260127","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+","moverz_quant":"814.6904","ri":"28.028","ri_type":"","pubchem_id":"44260127","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+H)+[-H2O]","moverz_quant":"402.3476","ri":"22.913","ri_type":"","pubchem_id":"65094","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+NA)+","moverz_quant":"402.3507","ri":"22.658","ri_type":"","pubchem_id":"65094","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3'-CMP (CAS# 63-37-6); (M+H)+","moverz_quant":"323.0523","ri":"0.767","ri_type":"","pubchem_id":"66535","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+NA)+","moverz_quant":"182.0566","ri":"3.857","ri_type":"","pubchem_id":"9378","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M+H)+","moverz_quant":"153.0419","ri":"1.222","ri_type":"","pubchem_id":"65083","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O]","moverz_quant":"103.0635","ri":"1.839","ri_type":"","pubchem_id":"64956","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)+","moverz_quant":"162.0542","ri":"1.692","ri_type":"","pubchem_id":"1662","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O]","moverz_quant":"122.037","ri":"4.857","ri_type":"","pubchem_id":"101","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-METHOXYTYROSINE (CAS# 4214-13-5); (M+H)+","moverz_quant":"211.0835","ri":"2.037","ri_type":"","pubchem_id":"9307","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+","moverz_quant":"146.0588","ri":"3.583","ri_type":"","pubchem_id":"12284","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+","moverz_quant":"160.0747","ri":"5.76","ri_type":"","pubchem_id":"12292","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+NA)+","moverz_quant":"318.2556","ri":"20.803","ri_type":"","pubchem_id":"92787","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+","moverz_quant":"145.0739","ri":"1.845","ri_type":"","pubchem_id":"18189","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-AMINOBENZOATE (CAS# 150-13-0); (M+H)+","moverz_quant":"137.0474","ri":"2.864","ri_type":"","pubchem_id":"978","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 492-27-3); (M+H)+","moverz_quant":"189.0428","ri":"4.96","ri_type":"","pubchem_id":"3845","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4); (M+H)+[-H2O]","moverz_quant":"184.0735","ri":"2.189","ri_type":"","pubchem_id":"688030","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M+H)+","moverz_quant":"131.0586","ri":"0.647","ri_type":"","pubchem_id":"440015","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M+H)+","moverz_quant":"152.0461","ri":"4.668","ri_type":"","pubchem_id":"127","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M+NA)+","moverz_quant":"130.0639","ri":"4.682","ri_type":"","pubchem_id":"70","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+","moverz_quant":"297.0902","ri":"4.56","ri_type":"","pubchem_id":"439176","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+","moverz_quant":"297.09","ri":"4.563","ri_type":"","pubchem_id":"439176","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5-AMINOLEVULINATE (CAS# 106-60-5); (M+H)+","moverz_quant":"131.0586","ri":"0.647","ri_type":"","pubchem_id":"137","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+","moverz_quant":"117.0792","ri":"0.729","ri_type":"","pubchem_id":"138","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+H)+","moverz_quant":"191.06","ri":"4.107","ri_type":"","pubchem_id":"1826","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M+H)+","moverz_quant":"220.0864","ri":"1.819","ri_type":"","pubchem_id":"439280","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M+H)+","moverz_quant":"459.1866","ri":"3.702","ri_type":"","pubchem_id":"9825434","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5-OXOPROLINE (CAS# 4042-36-8); (M+H)+","moverz_quant":"129.0429","ri":"1.184","ri_type":"","pubchem_id":"7405","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5-OXOPROLINE (CAS# 4042-36-8); (M+NA)+","moverz_quant":"129.0434","ri":"1.204","ri_type":"","pubchem_id":"7405","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)+[-H2O]","moverz_quant":"386.3555","ri":"24.648","ri_type":"","pubchem_id":"65728","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+","moverz_quant":"160.0747","ri":"5.766","ri_type":"","pubchem_id":"385","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ABRINE (CAS# 526-31-8); (M+H)+","moverz_quant":"218.1071","ri":"3.595","ri_type":"","pubchem_id":"160511","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ACETYLCHOLINE (CAS# 51-84-3); M+","moverz_quant":"146.1168","ri":"3.923","ri_type":"","pubchem_id":"187","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ADENINE (CAS# 73-24-5); (M+H)+","moverz_quant":"135.0545","ri":"0.716","ri_type":"","pubchem_id":"190","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ADENOSINE 5'-DIPHOSPHATE (CAS# 58-64-0); (M+H)+","moverz_quant":"427.0301","ri":"1.036","ri_type":"","pubchem_id":"6022","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+","moverz_quant":"347.0646","ri":"1.095","ri_type":"","pubchem_id":"6083","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ADENOSINE 5'-PHOSPHOSULFATE (CAS# 485-84-7); (M+NA)+","moverz_quant":"427.0235","ri":"1.107","ri_type":"","pubchem_id":"10238","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+","moverz_quant":"146.0588","ri":"3.583","ri_type":"","pubchem_id":"196","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ADP-RIBOSE (CAS# ); (M+H)+","moverz_quant":"559.0714","ri":"0.935","ri_type":"","pubchem_id":"33576","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ADP-RIBOSE (CAS# ); (M+H)+[-H2O]","moverz_quant":"559.0727","ri":"1.01","ri_type":"","pubchem_id":"33576","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ADPGLUCOSE (CAS# ); (M+H)+","moverz_quant":"589.0836","ri":"0.99","ri_type":"","pubchem_id":"16500","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"AHBA (CAS# 76045-71-1); (M+H)+","moverz_quant":"153.0419","ri":"1.222","ri_type":"","pubchem_id":"127115","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ALANINE (CAS# 56-41-7); (2M+H)+[-H2O]","moverz_quant":"89.048","ri":"1.238","ri_type":"","pubchem_id":"5950","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ALANINE (CAS# 56-41-7); (M+H)+","moverz_quant":"89.0472","ri":"1.454","ri_type":"","pubchem_id":"5950","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ALLOSE (CAS# 2595-97-3); (M+H)+[-H2O]","moverz_quant":"180.0647","ri":"1.691","ri_type":"","pubchem_id":"439507","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M+NA)+","moverz_quant":"260.0287","ri":"0.651","ri_type":"","pubchem_id":"123912","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M+H)+[-H2O]","moverz_quant":"146.0206","ri":"0.967","ri_type":"","pubchem_id":"51","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+","moverz_quant":"278.2242","ri":"22.805","ri_type":"","pubchem_id":"5280934","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ANDROSTERONE (CAS# 53-41-8); (M+NA)+","moverz_quant":"290.2245","ri":"19.853","ri_type":"","pubchem_id":"5879","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ANTHRANILATE (CAS# 118-92-3); (M+H)+","moverz_quant":"137.0473","ri":"4.998","ri_type":"","pubchem_id":"227","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ARACHIDIC ACID (CAS# 506-30-9); (M+NA)+","moverz_quant":"312.3023","ri":"23.225","ri_type":"","pubchem_id":"10467","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ASCORBATE (CAS# 50-81-7); (M+H)+[-H2O]","moverz_quant":"176.0309","ri":"1.145","ri_type":"","pubchem_id":"54670067","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ASPARTATE (CAS# 56-84-8); (M+H)+","moverz_quant":"133.0374","ri":"0.69","ri_type":"","pubchem_id":"5960","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ASPARTATE (CAS# 56-84-8); (M+NA)+","moverz_quant":"133.0377","ri":"0.629","ri_type":"","pubchem_id":"5960","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"AZELAIC ACID (CAS# 123-99-9); (M+NA)+","moverz_quant":"188.106","ri":"10.821","ri_type":"","pubchem_id":"2266","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BENZOIN (CAS# 119-53-9); (M+NA)+","moverz_quant":"212.0854","ri":"13.183","ri_type":"","pubchem_id":"667422","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BETA-ALANINE (CAS# 107-95-9); (M+H)+","moverz_quant":"89.0481","ri":"0.696","ri_type":"","pubchem_id":"239","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BETA-MALTOSE (CAS# 69-79-4); (M+NA)+","moverz_quant":"342.1186","ri":"0.714","ri_type":"","pubchem_id":"439186","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BETAINE (CAS# 107-43-7); (M+H)+","moverz_quant":"117.0792","ri":"0.693","ri_type":"","pubchem_id":"247","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BETAINE (CAS# 107-43-7); (M+NA)+","moverz_quant":"117.0787","ri":"0.692","ri_type":"","pubchem_id":"247","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)+","moverz_quant":"390.2784","ri":"23.134","ri_type":"","pubchem_id":"8343","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M+H)+","moverz_quant":"498.109","ri":"0.707","ri_type":"","pubchem_id":"90657696","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BIURET (CAS# 108-19-0); (M+NA)+","moverz_quant":"103.0374","ri":"0.847","ri_type":"","pubchem_id":"7913","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BOC-ALA-OH (CAS# 15761-38-3); (M+NA)+","moverz_quant":"189.1007","ri":"9.518","ri_type":"","pubchem_id":"85082","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CAFFEINE (CAS# 58-08-2); (M+H)+","moverz_quant":"194.0809","ri":"5.977","ri_type":"","pubchem_id":"2519","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CAFFEINE (CAS# 58-08-2); (M+NA)+","moverz_quant":"194.0807","ri":"5.776","ri_type":"","pubchem_id":"2519","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CALCIDIOL (CAS# 19356-17-3); (M+NA)+","moverz_quant":"400.3326","ri":"22.742","ri_type":"","pubchem_id":"5283731","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CARNOSINE (CAS# 305-84-0); (M+H)+","moverz_quant":"226.1082","ri":"0.603","ri_type":"","pubchem_id":"439224","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CELLOBIOSE (CAS# 528-50-7); (M+NA)+","moverz_quant":"342.1186","ri":"0.714","ri_type":"","pubchem_id":"294","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]","moverz_quant":"386.3555","ri":"24.648","ri_type":"","pubchem_id":"5997","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CHOLINE (CAS# 62-49-7); M+","moverz_quant":"104.1074","ri":"0.665","ri_type":"","pubchem_id":"305","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+","moverz_quant":"183.0659","ri":"0.702","ri_type":"","pubchem_id":"1014","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CHOLINE PHOSPHATE (CAS# 107-73-3); (M+NA)+","moverz_quant":"183.0661","ri":"0.631","ri_type":"","pubchem_id":"1014","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+","moverz_quant":"282.2544","ri":"22.775","ri_type":"","pubchem_id":"5282761","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CIS-ZEATIN (CAS# 1637-39-4); (M+H)+","moverz_quant":"219.1124","ri":"3.96","ri_type":"","pubchem_id":"688597","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CITRATE (CAS# 77-92-9); (M+H)+[-H2O]","moverz_quant":"192.0289","ri":"0.679","ri_type":"","pubchem_id":"311","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CITRATE (CAS# 77-92-9); (M+NA)+","moverz_quant":"192.0275","ri":"1.056","ri_type":"","pubchem_id":"311","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CITRULLINE (CAS# 372-75-8); (M+NA)+","moverz_quant":"175.0963","ri":"0.723","ri_type":"","pubchem_id":"9750","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CMP (CAS# 63-37-6); (M+H)+","moverz_quant":"323.0523","ri":"0.767","ri_type":"","pubchem_id":"6131","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CORTISONE (CAS# 53-06-5); (M+NA)+","moverz_quant":"360.1952","ri":"13.478","ri_type":"","pubchem_id":"222786","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CREATINE (CAS# 57-00-1); (M+H)+","moverz_quant":"131.0697","ri":"0.692","ri_type":"","pubchem_id":"586","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CREATININE (CAS# 60-27-5); (M+H)+","moverz_quant":"113.0584","ri":"0.69","ri_type":"","pubchem_id":"588","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+H)+","moverz_quant":"114.0616","ri":"0.689","ri_type":"","pubchem_id":"71309782","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+H)+","moverz_quant":"488.1078","ri":"0.718","ri_type":"","pubchem_id":"13804","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+K)+","moverz_quant":"488.1059","ri":"0.705","ri_type":"","pubchem_id":"13804","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+NA)+","moverz_quant":"488.1078","ri":"0.703","ri_type":"","pubchem_id":"13804","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CYTOSINE (CAS# 71-30-7); (M+H)+","moverz_quant":"111.0434","ri":"0.754","ri_type":"","pubchem_id":"597","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CYTOSINE (CAS# 71-30-7); (M+NA)+","moverz_quant":"111.0435","ri":"0.73","ri_type":"","pubchem_id":"597","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+[-H2O]","moverz_quant":"179.0781","ri":"0.885","ri_type":"","pubchem_id":"3034366","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+K)+","moverz_quant":"260.0298","ri":"0.66","ri_type":"","pubchem_id":"5958","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+NA)+","moverz_quant":"260.0296","ri":"0.651","ri_type":"","pubchem_id":"5958","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+[-H2O]","moverz_quant":"179.0781","ri":"0.885","ri_type":"","pubchem_id":"3034366","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"D-ORNITHINE (CAS# 348-66-3); (M+H)+","moverz_quant":"132.0891","ri":"0.559","ri_type":"","pubchem_id":"6262","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"D-ORNITHINE (CAS# 348-66-3); (M+H)+[-H2O]","moverz_quant":"132.0896","ri":"0.554","ri_type":"","pubchem_id":"6262","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O]","moverz_quant":"180.0645","ri":"0.714","ri_type":"","pubchem_id":"90008","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DEBRISOQUIN (CAS# 581-88-4); (M+H)+","moverz_quant":"175.1109","ri":"5.197","ri_type":"","pubchem_id":"2966","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DECANOATE (CAS# 334-48-5); (2M+NA)+","moverz_quant":"172.1464","ri":"22.866","ri_type":"","pubchem_id":"2969","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+","moverz_quant":"174.0181","ri":"0.649","ri_type":"","pubchem_id":"210328","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+[-H2O]","moverz_quant":"174.015","ri":"0.827","ri_type":"","pubchem_id":"210328","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DEOXYCHOLIC ACID (CAS# 83-44-3); (M+H)+","moverz_quant":"392.2896","ri":"21.937","ri_type":"","pubchem_id":"222528","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+","moverz_quant":"392.2939","ri":"21.718","ri_type":"","pubchem_id":"222528","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DEOXYCYTIDINE (CAS# 951-77-9); (M+H)+","moverz_quant":"227.0927","ri":"1.241","ri_type":"","pubchem_id":"13711","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DEPHOSPHO-COA (CAS# 3633-59-8); (M+NA)+","moverz_quant":"687.1455","ri":"3.677","ri_type":"","pubchem_id":"444485","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DGMP (CAS# 902-04-5); (M+H)+","moverz_quant":"347.0646","ri":"1.411","ri_type":"","pubchem_id":"6994968","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DUMP (CAS# 964-26-1); (2M+NA)+","moverz_quant":"308.0397","ri":"0.879","ri_type":"","pubchem_id":"65063","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ELAIDIC ACID (CAS# 112-79-8); (M+H)+","moverz_quant":"282.2544","ri":"22.775","ri_type":"","pubchem_id":"637517","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ELAIDIC ACID (CAS# 112-79-8); (M+NA)+","moverz_quant":"282.2583","ri":"22.867","ri_type":"","pubchem_id":"637517","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ERUCIC ACID (CAS# 112-86-7); (M+NA)+","moverz_quant":"338.3215","ri":"23.523","ri_type":"","pubchem_id":"5281116","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ERYTHRITOL (CAS# 149-32-6); (M+NA)+","moverz_quant":"122.0576","ri":"0.615","ri_type":"","pubchem_id":"222285","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ESTRONE (CAS# 53-16-7); (M+H)+","moverz_quant":"270.1596","ri":"16.439","ri_type":"","pubchem_id":"5870","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M+H)+","moverz_quant":"141.0183","ri":"1.105","ri_type":"","pubchem_id":"1015","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M+H)+","moverz_quant":"785.1562","ri":"6.293","ri_type":"","pubchem_id":"643975","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M+NA)+","moverz_quant":"785.156","ri":"6.287","ri_type":"","pubchem_id":"643975","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"FOLIC ACID (CAS# 59-30-3); (M+H)+","moverz_quant":"441.1404","ri":"5.951","ri_type":"","pubchem_id":"6037","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"FOLIC ACID (CAS# 59-30-3); (M+NA)+","moverz_quant":"441.1418","ri":"5.949","ri_type":"","pubchem_id":"6037","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"FRUCTOSE (CAS# 57-48-7); (M+NA)+","moverz_quant":"180.0638","ri":"0.672","ri_type":"","pubchem_id":"5984","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+H)+","moverz_quant":"182.0794","ri":"0.515","ri_type":"","pubchem_id":"11850","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)+","moverz_quant":"250.061","ri":"1.004","ri_type":"","pubchem_id":"123938","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)+[-H2O]","moverz_quant":"250.0625","ri":"0.996","ri_type":"","pubchem_id":"123938","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+","moverz_quant":"278.2242","ri":"22.805","ri_type":"","pubchem_id":"5280933","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GDPMANNOSE (CAS# ); (M+H)+","moverz_quant":"605.0731","ri":"0.827","ri_type":"","pubchem_id":"18396","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GDPMANNOSE (CAS# ); (M+NA)+","moverz_quant":"605.0761","ri":"0.814","ri_type":"","pubchem_id":"18396","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M+NA)+","moverz_quant":"346.1389","ri":"8.576","ri_type":"","pubchem_id":"6466","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+","moverz_quant":"346.1424","ri":"8.58","ri_type":"","pubchem_id":"6466","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUCOSAMINATE (CAS# 3646-68-2); (M+H)+","moverz_quant":"195.0737","ri":"0.879","ri_type":"","pubchem_id":"73563","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M+H)+","moverz_quant":"259.0471","ri":"0.712","ri_type":"","pubchem_id":"439217","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O]","moverz_quant":"180.0645","ri":"0.715","ri_type":"","pubchem_id":"5793","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUCOSE (CAS# 50-99-7); (M+NA)+","moverz_quant":"180.0638","ri":"0.672","ri_type":"","pubchem_id":"5793","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUTAMATE (CAS# 56-86-0); (M+H)+","moverz_quant":"147.054","ri":"0.695","ri_type":"","pubchem_id":"33032","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O]","moverz_quant":"147.0535","ri":"0.67","ri_type":"","pubchem_id":"33032","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUTAMINE (CAS# 56-85-9); (M+NA)+","moverz_quant":"146.0685","ri":"0.631","ri_type":"","pubchem_id":"5961","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUTARATE (CAS# 110-94-1); (M+NA)+","moverz_quant":"132.0416","ri":"2.074","ri_type":"","pubchem_id":"743","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUTATHIONE (CAS# 27025-41-8); (M+H)+","moverz_quant":"612.1526","ri":"1.374","ri_type":"","pubchem_id":"124886","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2","moverz_quant":"612.1549","ri":"1.378","ri_type":"","pubchem_id":"124886","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCERALDEHYDE (CAS# 367-47-5); (2M+H)+[-H2O]","moverz_quant":"90.0325","ri":"1.677","ri_type":"","pubchem_id":"79014","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCINE (CAS# 56-40-6); (M+H)+","moverz_quant":"75.0321","ri":"0.676","ri_type":"","pubchem_id":"750","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+[-H2O]","moverz_quant":"449.311","ri":"20.351","ri_type":"","pubchem_id":"9548796","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+","moverz_quant":"449.3145","ri":"20.35","ri_type":"","pubchem_id":"9548796","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+","moverz_quant":"465.3114","ri":"18.643","ri_type":"","pubchem_id":"10140","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+","moverz_quant":"433.3181","ri":"21.644","ri_type":"","pubchem_id":"115245","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+[-H2O]","moverz_quant":"433.3171","ri":"21.508","ri_type":"","pubchem_id":"115245","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GUANINE (CAS# 73-40-5); (M+H)+","moverz_quant":"151.0498","ri":"1.015","ri_type":"","pubchem_id":"764","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GUANOSINE (CAS# 118-00-3); (M+H)+","moverz_quant":"283.0924","ri":"1.851","ri_type":"","pubchem_id":"6802","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GUANOSINE (CAS# 118-00-3); (M+NA)+","moverz_quant":"283.0925","ri":"1.82","ri_type":"","pubchem_id":"6802","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M+H)+","moverz_quant":"589.0836","ri":"0.99","ri_type":"","pubchem_id":"451","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (2M+NA)+[-H2O]","moverz_quant":"363.055","ri":"1.051","ri_type":"","pubchem_id":"6804","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M+H)+","moverz_quant":"363.0598","ri":"0.987","ri_type":"","pubchem_id":"6804","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HOMOSERINE (CAS# 672-15-1); (M+H)+","moverz_quant":"119.0587","ri":"0.703","ri_type":"","pubchem_id":"12647","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HOMOSERINE (CAS# 672-15-1); (M+NA)+","moverz_quant":"119.0574","ri":"0.571","ri_type":"","pubchem_id":"12647","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HOMOVANILLATE (CAS# 306-08-1); (M+H)+","moverz_quant":"182.0581","ri":"5.758","ri_type":"","pubchem_id":"1738","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HYPOXANTHINE (CAS# 68-94-0); (M+NA)+","moverz_quant":"136.0378","ri":"1.139","ri_type":"","pubchem_id":"790","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"INDOLE (CAS# 120-72-9); (2M+NA)+","moverz_quant":"117.0584","ri":"6.551","ri_type":"","pubchem_id":"798","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+","moverz_quant":"159.0684","ri":"1.854","ri_type":"","pubchem_id":"800","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"INOSINE (CAS# 58-63-9); (M+H)+","moverz_quant":"268.0827","ri":"1.833","ri_type":"","pubchem_id":"6021","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"INOSINE (CAS# 58-63-9); (M+NA)+","moverz_quant":"268.0819","ri":"1.798","ri_type":"","pubchem_id":"6021","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ISOLEUCINE (CAS# 73-32-5); (M+H)+","moverz_quant":"131.095","ri":"1.611","ri_type":"","pubchem_id":"6306","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ISOLEUCINE (CAS# 73-32-5); (M+NA)+","moverz_quant":"131.0937","ri":"1.598","ri_type":"","pubchem_id":"6306","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+H)+","moverz_quant":"210.1253","ri":"13.238","ri_type":"","pubchem_id":"5281166","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+","moverz_quant":"210.1261","ri":"13.238","ri_type":"","pubchem_id":"5281166","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"KYNURENINE (CAS# 343-65-7); (M+H)+","moverz_quant":"208.0851","ri":"2.237","ri_type":"","pubchem_id":"161166","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"KYNURENINE (CAS# 343-65-7); (M+NA)+","moverz_quant":"208.0858","ri":"2.227","ri_type":"","pubchem_id":"161166","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+","moverz_quant":"119.0587","ri":"0.703","ri_type":"","pubchem_id":"99289","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O]","moverz_quant":"119.0586","ri":"0.69","ri_type":"","pubchem_id":"99289","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-ARGININE (CAS# 74-79-3); (M+NA)+","moverz_quant":"174.1105","ri":"0.615","ri_type":"","pubchem_id":"6322","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (M+H)+","moverz_quant":"176.1063","ri":"0.645","ri_type":"","pubchem_id":"16217579","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-CARNITINE (CAS# 541-15-1); (M+H)+","moverz_quant":"161.105","ri":"0.667","ri_type":"","pubchem_id":"10917","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-HISTIDINE (CAS# 71-00-1); (M+H)+","moverz_quant":"155.068","ri":"0.706","ri_type":"","pubchem_id":"6274","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-HISTIDINE (CAS# 71-00-1); (M+NA)+","moverz_quant":"155.0703","ri":"0.62","ri_type":"","pubchem_id":"6274","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-ORNITHINE (CAS# 70-26-8); (M+H)+","moverz_quant":"132.0891","ri":"0.559","ri_type":"","pubchem_id":"6262","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+","moverz_quant":"206.0849","ri":"3.676","ri_type":"","pubchem_id":"16217285","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M+H)+","moverz_quant":"138.046","ri":"5.427","ri_type":"","pubchem_id":"227","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LACTOSE (CAS# 63-42-3); (M+K)+","moverz_quant":"342.1185","ri":"0.716","ri_type":"","pubchem_id":"440995","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LACTOSE (CAS# 63-42-3); (M+NA)+","moverz_quant":"342.1186","ri":"0.714","ri_type":"","pubchem_id":"440995","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LANOSTEROL (CAS# 79-63-0); (M+NA)+","moverz_quant":"426.3886","ri":"23.55","ri_type":"","pubchem_id":"246983","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+","moverz_quant":"343.2712","ri":"18.018","ri_type":"","pubchem_id":"168381","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LAUROYLCARNITINE (CAS# 25518-54-1); (M+NA)+","moverz_quant":"343.2691","ri":"17.961","ri_type":"","pubchem_id":"168381","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LEUCINE (CAS# 328-39-2); (M+H)+","moverz_quant":"131.095","ri":"1.629","ri_type":"","pubchem_id":"6106","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LEUCINE (CAS# 328-39-2); (M+NA)+","moverz_quant":"131.0947","ri":"1.63","ri_type":"","pubchem_id":"6106","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+","moverz_quant":"336.2275","ri":"20.73","ri_type":"","pubchem_id":"5280492","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O]","moverz_quant":"336.2297","ri":"20.773","ri_type":"","pubchem_id":"5280492","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+","moverz_quant":"336.2292","ri":"20.535","ri_type":"","pubchem_id":"5280492","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LINOLEATE (CAS# 60-33-3); (M+NA)+","moverz_quant":"280.2398","ri":"18.63","ri_type":"","pubchem_id":"5280450","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+","moverz_quant":"376.2982","ri":"22.337","ri_type":"","pubchem_id":"9903","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LOPERAMIDE (CAS# 34552-83-5); (M+H)+","moverz_quant":"476.2257","ri":"15.295","ri_type":"","pubchem_id":"3955","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LUMICHROME (CAS# 1086-80-2); (M+H)+","moverz_quant":"242.0827","ri":"11.006","ri_type":"","pubchem_id":"5326566","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LUMICHROME (CAS# 1086-80-2); (M+NA)+","moverz_quant":"242.0814","ri":"11.016","ri_type":"","pubchem_id":"5326566","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LYSINE (CAS# 56-87-1); (M+H)+","moverz_quant":"146.106","ri":"0.558","ri_type":"","pubchem_id":"5962","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LYSINE (CAS# 56-87-1); (M+NA)+","moverz_quant":"146.1058","ri":"0.572","ri_type":"","pubchem_id":"5962","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (M+NA)+[-H2O]","moverz_quant":"168.0427","ri":"1.901","ri_type":"","pubchem_id":"86957","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MALATE (CAS# 636-61-3); (M+NA)+","moverz_quant":"134.0214","ri":"0.83","ri_type":"","pubchem_id":"222656","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MALEAMATE (CAS# 557-24-4); (M+H)+","moverz_quant":"115.0263","ri":"0.718","ri_type":"","pubchem_id":"5280451","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MALTOSE (CAS# 69-79-4); (M+NA)+","moverz_quant":"342.1186","ri":"0.714","ri_type":"","pubchem_id":"439186","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+NA)+","moverz_quant":"260.0296","ri":"0.651","ri_type":"","pubchem_id":"439198","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MELIBIOSE (CAS# 585-99-9); (M+K)+","moverz_quant":"342.1185","ri":"0.716","ri_type":"","pubchem_id":"440658","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MELIBIOSE (CAS# 585-99-9); (M+NA)+","moverz_quant":"342.1186","ri":"0.714","ri_type":"","pubchem_id":"440658","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MENAQUINONE (CAS# 11032-49-8); (M+H)+","moverz_quant":"444.3018","ri":"24.403","ri_type":"","pubchem_id":"5280374","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"METHIONINE (CAS# 63-68-3); (M+H)+","moverz_quant":"149.0514","ri":"1.015","ri_type":"","pubchem_id":"6137","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)+","moverz_quant":"194.0793","ri":"0.888","ri_type":"","pubchem_id":"94214","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+","moverz_quant":"224.1408","ri":"16.054","ri_type":"","pubchem_id":"5281929","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MEVALONIC ACID (CAS# 674-26-0); (M+NA)+","moverz_quant":"148.0744","ri":"1.708","ri_type":"","pubchem_id":"439230","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MEVALONIC ACID (CAS# 674-26-0); (M+NA)+[-H2O]","moverz_quant":"148.0733","ri":"1.365","ri_type":"","pubchem_id":"439230","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+","moverz_quant":"146.0588","ri":"3.583","ri_type":"","pubchem_id":"73917","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MYO-INOSITOL (CAS# 87-89-8); (M+NA)+","moverz_quant":"180.0638","ri":"0.672","ri_type":"","pubchem_id":"892","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+","moverz_quant":"169.0841","ri":"0.67","ri_type":"","pubchem_id":"64969","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+","moverz_quant":"221.0918","ri":"0.718","ri_type":"","pubchem_id":"446101","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+H)+","moverz_quant":"221.0918","ri":"0.718","ri_type":"","pubchem_id":"53477792","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+","moverz_quant":"191.0601","ri":"4.111","ri_type":"","pubchem_id":"448580","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+","moverz_quant":"191.062","ri":"4.11","ri_type":"","pubchem_id":"448580","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+","moverz_quant":"147.0543","ri":"0.86","ri_type":"","pubchem_id":"65249","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O]","moverz_quant":"147.0535","ri":"0.758","ri_type":"","pubchem_id":"65249","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+","moverz_quant":"147.0525","ri":"0.675","ri_type":"","pubchem_id":"65249","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+","moverz_quant":"131.0581","ri":"1.448","ri_type":"","pubchem_id":"88064","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+","moverz_quant":"173.1068","ri":"7.154","ri_type":"","pubchem_id":"75619","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+H)+","moverz_quant":"207.088","ri":"7.812","ri_type":"","pubchem_id":"74839","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+","moverz_quant":"207.0904","ri":"7.785","ri_type":"","pubchem_id":"74839","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+","moverz_quant":"221.0914","ri":"0.718","ri_type":"","pubchem_id":"35717","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+H)+","moverz_quant":"309.1082","ri":"0.716","ri_type":"","pubchem_id":"439197","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+","moverz_quant":"309.1062","ri":"0.698","ri_type":"","pubchem_id":"439197","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+","moverz_quant":"188.1147","ri":"0.87","ri_type":"","pubchem_id":"92907","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+","moverz_quant":"127.0991","ri":"8.007","ri_type":"","pubchem_id":"13017","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+","moverz_quant":"127.0988","ri":"8","ri_type":"","pubchem_id":"13017","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+","moverz_quant":"147.054","ri":"0.7","ri_type":"","pubchem_id":"4376","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+","moverz_quant":"147.0525","ri":"0.675","ri_type":"","pubchem_id":"4376","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+H)+[-H2O]","moverz_quant":"161.069","ri":"2.025","ri_type":"","pubchem_id":"439377","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+","moverz_quant":"137.0465","ri":"0.507","ri_type":"","pubchem_id":"5570","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+H)+","moverz_quant":"339.2744","ri":"22.834","ri_type":"","pubchem_id":"6436908","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NAD (CAS# 53-84-9); (M+2H)+2","moverz_quant":"663.111","ri":"1.052","ri_type":"","pubchem_id":"5893","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NAD (CAS# 53-84-9); (M+H)+","moverz_quant":"663.1093","ri":"1.037","ri_type":"","pubchem_id":"5893","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NAD (CAS# 53-84-9); (M+NA)+","moverz_quant":"663.1081","ri":"1.022","ri_type":"","pubchem_id":"5893","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NICOTINAMIDE (CAS# 98-92-0); (M+H)+","moverz_quant":"122.0481","ri":"1.107","ri_type":"","pubchem_id":"936","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+H)+","moverz_quant":"334.0535","ri":"0.718","ri_type":"","pubchem_id":"14180","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NICOTINATE (CAS# 59-67-6); (M+H)+","moverz_quant":"123.0329","ri":"1.068","ri_type":"","pubchem_id":"938","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NONANOATE (CAS# 112-05-0); (M+NA)+","moverz_quant":"158.1296","ri":"13.385","ri_type":"","pubchem_id":"8158","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NORADRENALINE (CAS# 51-41-2); (M+H)+","moverz_quant":"169.0742","ri":"0.754","ri_type":"","pubchem_id":"951","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NORADRENALINE (CAS# 51-41-2); (M+H)+[-H2O]","moverz_quant":"169.0723","ri":"0.789","ri_type":"","pubchem_id":"951","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NORLEUCINE (CAS# 327-57-1); (M+H)+","moverz_quant":"131.0949","ri":"1.632","ri_type":"","pubchem_id":"21236","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O]","moverz_quant":"183.0897","ri":"2.549","ri_type":"","pubchem_id":"688100","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NORVALINE (CAS# 6600-40-4); (M+H)+","moverz_quant":"117.0794","ri":"0.909","ri_type":"","pubchem_id":"65098","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NORVALINE (CAS# 6600-40-4); M+[-CO2H]","moverz_quant":"117.0798","ri":"0.909","ri_type":"","pubchem_id":"65098","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+","moverz_quant":"203.1162","ri":"0.967","ri_type":"","pubchem_id":"18230","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+H)+","moverz_quant":"185.0106","ri":"0.623","ri_type":"","pubchem_id":"106","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+NA)+","moverz_quant":"185.0107","ri":"0.697","ri_type":"","pubchem_id":"106","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M+H)+","moverz_quant":"185.0098","ri":"0.697","ri_type":"","pubchem_id":"106","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"O-PHOSPHOSERINE (CAS# 407-41-0); (M+H)+","moverz_quant":"185.0098","ri":"0.668","ri_type":"","pubchem_id":"68841","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M+H)+","moverz_quant":"219.0746","ri":"0.746","ri_type":"","pubchem_id":"439406","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OLEAMIDE (CAS# 301-02-0); (M+H)+","moverz_quant":"281.2691","ri":"22.679","ri_type":"","pubchem_id":"5283387","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OLEIC ACID (CAS# 112-80-1); (M+H)+","moverz_quant":"282.2544","ri":"22.664","ri_type":"","pubchem_id":"445639","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OLEIC ACID (CAS# 112-80-1); (M+NA)+","moverz_quant":"282.2558","ri":"22.513","ri_type":"","pubchem_id":"445639","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OMEPRAZOLE (CAS# 73590-58-6); (M+H)+","moverz_quant":"345.1164","ri":"11.147","ri_type":"","pubchem_id":"4594","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+","moverz_quant":"289.1279","ri":"1.238","ri_type":"","pubchem_id":"7018721","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2","moverz_quant":"612.1549","ri":"1.378","ri_type":"","pubchem_id":"65359","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+","moverz_quant":"612.1526","ri":"1.374","ri_type":"","pubchem_id":"65359","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PALATINOSE (CAS# 343336-76-5); (M+NA)+","moverz_quant":"342.1186","ri":"0.714","ri_type":"","pubchem_id":"439559","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+","moverz_quant":"399.3356","ri":"21.401","ri_type":"","pubchem_id":"11953816","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PALMITOYLCARNITINE (CAS# 2364-67-2); (M+NA)+","moverz_quant":"399.3346","ri":"21.403","ri_type":"","pubchem_id":"11953816","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PANTOTHENATE (CAS# 79-83-4); (M+H)+","moverz_quant":"219.1111","ri":"3.3","ri_type":"","pubchem_id":"6613","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PANTOTHENATE (CAS# 79-83-4); (M+NA)+","moverz_quant":"219.1113","ri":"3.302","ri_type":"","pubchem_id":"6613","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PARAXANTHINE (CAS# 611-59-6); (M+NA)+","moverz_quant":"180.0647","ri":"4.37","ri_type":"","pubchem_id":"4687","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PHENETHYLAMINE (CAS# 64-04-0); (M+H)+","moverz_quant":"121.088","ri":"2.947","ri_type":"","pubchem_id":"1001","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PHENYLALANINE (CAS# 63-91-2); (M+H)+","moverz_quant":"165.0791","ri":"2.549","ri_type":"","pubchem_id":"6140","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PHENYLALANINE (CAS# 63-91-2); (M+NA)+","moverz_quant":"165.0792","ri":"2.551","ri_type":"","pubchem_id":"6140","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PHOSPHOCREATINE (CAS# 67-07-2); (M+H)+","moverz_quant":"211.0365","ri":"0.696","ri_type":"","pubchem_id":"9548602","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PHTHALATE (CAS# 88-99-3); (M+NA)+","moverz_quant":"166.0272","ri":"4.863","ri_type":"","pubchem_id":"1017","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PHYLLOQUINONE (CAS# 84-80-0); (M+H)+","moverz_quant":"450.3495","ri":"26.311","ri_type":"","pubchem_id":"4812","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PICOLINIC ACID (CAS# 98-98-6); (M+H)+","moverz_quant":"123.0332","ri":"1.038","ri_type":"","pubchem_id":"1018","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PINITOL (CAS# 10284-63-6); (M+NA)+","moverz_quant":"194.0793","ri":"0.888","ri_type":"","pubchem_id":"164619","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PIPECOLATE (CAS# 535-75-1); (M+H)+","moverz_quant":"129.0787","ri":"0.558","ri_type":"","pubchem_id":"849","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PIPECOLATE (CAS# 535-75-1); (M+NA)+","moverz_quant":"129.0777","ri":"0.749","ri_type":"","pubchem_id":"849","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PORPHOBILINOGEN (CAS# 487-90-1); (M+NA)+","moverz_quant":"226.0972","ri":"2.084","ri_type":"","pubchem_id":"1021","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M+H)+","moverz_quant":"162.1001","ri":"0.559","ri_type":"","pubchem_id":"83228","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M+NA)+","moverz_quant":"162.1","ri":"0.538","ri_type":"","pubchem_id":"83228","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PROGESTERONE (CAS# 57-83-0); (M+H)+","moverz_quant":"314.2275","ri":"19.896","ri_type":"","pubchem_id":"5994","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PROLINE (CAS# 147-85-3); (M+H)+","moverz_quant":"115.0635","ri":"0.71","ri_type":"","pubchem_id":"145742","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PROLINE (CAS# 147-85-3); (M+NA)+","moverz_quant":"115.0644","ri":"0.866","ri_type":"","pubchem_id":"145742","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+","moverz_quant":"352.2244","ri":"16.808","ri_type":"","pubchem_id":"5280360","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PTERIN (CAS# 2236-60-4); (M+H)+","moverz_quant":"163.0503","ri":"1.726","ri_type":"","pubchem_id":"73000","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PURINE (CAS# 120-73-0); (M+H)+","moverz_quant":"120.0425","ri":"1.122","ri_type":"","pubchem_id":"1044","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PYRIDOXAL (CAS# 66-72-8); (M+H)+","moverz_quant":"167.0588","ri":"1.09","ri_type":"","pubchem_id":"1050","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PYRIDOXAL (CAS# 66-72-8); (M+H)+[-H2O]","moverz_quant":"167.0598","ri":"2.059","ri_type":"","pubchem_id":"1050","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (M+H)+","moverz_quant":"247.0264","ri":"1.333","ri_type":"","pubchem_id":"1051","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PYRIDOXINE (CAS# 65-23-6); (M+H)+","moverz_quant":"169.0741","ri":"1.168","ri_type":"","pubchem_id":"1054","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"QUINATE (CAS# 77-95-2); (M+NA)+","moverz_quant":"192.0641","ri":"0.779","ri_type":"","pubchem_id":"6508","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+","moverz_quant":"145.0539","ri":"7.76","ri_type":"","pubchem_id":"6038","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)+","moverz_quant":"302.246","ri":"22.183","ri_type":"","pubchem_id":"79050","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"RAFFINOSE (CAS# 512-69-6); (M+K)+","moverz_quant":"504.1689","ri":"0.712","ri_type":"","pubchem_id":"439242","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"RAFFINOSE (CAS# 512-69-6); (M+NA)+","moverz_quant":"504.1714","ri":"0.716","ri_type":"","pubchem_id":"439242","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"RIBOFLAVIN (CAS# 83-88-5); (M+H)+","moverz_quant":"376.139","ri":"7.689","ri_type":"","pubchem_id":"493570","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"RIBOFLAVIN (CAS# 83-88-5); (M+NA)+","moverz_quant":"376.14","ri":"7.689","ri_type":"","pubchem_id":"493570","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+","moverz_quant":"384.1241","ri":"1.552","ri_type":"","pubchem_id":"439155","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"S-ADENOSYLMETHIONINE (CAS# 29908-03-0); (M+H)+","moverz_quant":"398.1371","ri":"0.668","ri_type":"","pubchem_id":"34755","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SALICYLAMIDE (CAS# 65-45-2); (M+H)+","moverz_quant":"137.0481","ri":"5.173","ri_type":"","pubchem_id":"5147","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SARCOSINE (CAS# 107-97-1); (M+H)+","moverz_quant":"89.0481","ri":"0.696","ri_type":"","pubchem_id":"1088","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SEBACIC ACID (CAS# 111-20-6); (M+NA)+","moverz_quant":"202.1224","ri":"13.032","ri_type":"","pubchem_id":"5192","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SELENOCYSTAMINE (CAS# 2697-61-2); (M+H)+","moverz_quant":"247.9343","ri":"0.548","ri_type":"","pubchem_id":"115119","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SERINE (CAS# 56-45-1); (M+H)+","moverz_quant":"105.042","ri":"1.019","ri_type":"","pubchem_id":"617","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SHIKIMATE (CAS# 138-59-0); (M+NA)+","moverz_quant":"174.0538","ri":"0.6","ri_type":"","pubchem_id":"8742","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+H)+","moverz_quant":"257.1032","ri":"0.714","ri_type":"","pubchem_id":"439285","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SPERMIDINE (CAS# 124-20-9); (M+H)+","moverz_quant":"145.1577","ri":"0.564","ri_type":"","pubchem_id":"1102","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SPERMINE (CAS# 71-44-3); (M+H)+","moverz_quant":"202.2146","ri":"0.582","ri_type":"","pubchem_id":"1103","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SPHINGANINE (CAS# 764-22-7); (M+H)+","moverz_quant":"301.2959","ri":"20.58","ri_type":"","pubchem_id":"644260","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SPHINGOSINE (CAS# 123-78-4); (M+H)+","moverz_quant":"299.2826","ri":"20.486","ri_type":"","pubchem_id":"5280335","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SPHINGOSINE (CAS# 123-78-4); (M+H)+[-H2O]","moverz_quant":"299.2809","ri":"20.485","ri_type":"","pubchem_id":"5280335","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SPHINGOSINE (CAS# 123-78-4); (M+NA)+","moverz_quant":"299.2814","ri":"20.485","ri_type":"","pubchem_id":"5280335","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SQUALENE (CAS# 111-02-4); (M+K)+","moverz_quant":"410.3936","ri":"24.373","ri_type":"","pubchem_id":"5280370","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"STACHYOSE (CAS# 54261-98-2); (M+K)+","moverz_quant":"666.2213","ri":"0.716","ri_type":"","pubchem_id":"439531","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"STACHYOSE (CAS# 54261-98-2); (M+NA)+","moverz_quant":"666.2228","ri":"0.72","ri_type":"","pubchem_id":"439531","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SUBERIC ACID (CAS# 505-48-6); (M+NA)+","moverz_quant":"174.0909","ri":"8.329","ri_type":"","pubchem_id":"10457","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SUCROSE (CAS# 57-50-1); (M+NA)+","moverz_quant":"342.1186","ri":"0.714","ri_type":"","pubchem_id":"5988","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SULFADIMETHOXINE (CAS# 122-11-2); (M+NA)+","moverz_quant":"310.076","ri":"9.444","ri_type":"","pubchem_id":"5323","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TAURINE (CAS# 107-35-7); (M+H)+","moverz_quant":"125.0155","ri":"0.809","ri_type":"","pubchem_id":"1123","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TAURINE (CAS# 107-35-7); (M+K)+","moverz_quant":"125.0156","ri":"0.623","ri_type":"","pubchem_id":"1123","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TAURINE (CAS# 107-35-7); (M+NA)+","moverz_quant":"125.0147","ri":"0.637","ri_type":"","pubchem_id":"1123","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+","moverz_quant":"483.3065","ri":"21.948","ri_type":"","pubchem_id":"439763","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+[-H2O]","moverz_quant":"483.3017","ri":"22.02","ri_type":"","pubchem_id":"439763","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THEOBROMINE (CAS# 83-67-0); (M+NA)+","moverz_quant":"180.0643","ri":"3.513","ri_type":"","pubchem_id":"5429","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THEOPHYLLINE (CAS# 58-55-9); (M+NA)+","moverz_quant":"180.0647","ri":"4.325","ri_type":"","pubchem_id":"2153","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THIAMIN (CAS# 59-43-8); M+","moverz_quant":"265.1131","ri":"0.667","ri_type":"","pubchem_id":"1130","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THIAMIN (CAS# 59-43-8); M+[-C6H9NOS]","moverz_quant":"265.1122","ri":"0.671","ri_type":"","pubchem_id":"1130","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THREONINE (CAS# 72-19-5); (M+H)+[-H2O]","moverz_quant":"119.0586","ri":"0.831","ri_type":"","pubchem_id":"6288","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (M+NA)+","moverz_quant":"362.1672","ri":"1.837","ri_type":"","pubchem_id":"638678","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M+H)+","moverz_quant":"131.0581","ri":"0.647","ri_type":"","pubchem_id":"5810","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TRICARBALLYLIC ACID (CAS# 99-14-9); (M+H)+[-H2O]","moverz_quant":"176.0309","ri":"1.145","ri_type":"","pubchem_id":"14925","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TRYPTAMINE (CAS# 61-54-1); (M+H)+","moverz_quant":"160.0992","ri":"3.879","ri_type":"","pubchem_id":"1150","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TRYPTOPHAN (CAS# 73-22-3); (M+H)+","moverz_quant":"204.088","ri":"3.675","ri_type":"","pubchem_id":"6305","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TRYPTOPHAN (CAS# 73-22-3); (M+NA)+","moverz_quant":"204.0893","ri":"3.674","ri_type":"","pubchem_id":"6305","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TRYPTOPHANAMIDE (CAS# 20696-57-5); (M+H)+","moverz_quant":"203.1071","ri":"2.715","ri_type":"","pubchem_id":"439356","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TYROSINE (CAS# 60-18-4); (M+H)+","moverz_quant":"181.0738","ri":"1.35","ri_type":"","pubchem_id":"6057","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+H)+[-H2O]","moverz_quant":"607.084","ri":"0.999","ri_type":"","pubchem_id":"23724461","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+NA)+","moverz_quant":"607.0815","ri":"0.754","ri_type":"","pubchem_id":"23724461","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M+H)+","moverz_quant":"156.0157","ri":"1.305","ri_type":"","pubchem_id":"6971263","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"URATE (CAS# 69-93-2); (M+H)+","moverz_quant":"168.0287","ri":"1.038","ri_type":"","pubchem_id":"1175","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"URIDINE (CAS# 58-96-8); (M+H)+","moverz_quant":"244.0689","ri":"1.369","ri_type":"","pubchem_id":"6029","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"URIDINE (CAS# 58-96-8); (M+NA)+","moverz_quant":"244.0699","ri":"1.377","ri_type":"","pubchem_id":"6029","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M+H)+","moverz_quant":"324.0381","ri":"0.906","ri_type":"","pubchem_id":"6030","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"UROCANATE (CAS# 104-98-3); (M+H)+","moverz_quant":"138.0425","ri":"1.119","ri_type":"","pubchem_id":"736715","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"URSODIOL (CAS# 128-13-2); (M+NA)+","moverz_quant":"392.2939","ri":"21.718","ri_type":"","pubchem_id":"31401","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"VALINE (CAS# 72-18-4); (M+H)+","moverz_quant":"117.0794","ri":"0.909","ri_type":"","pubchem_id":"6287","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"VALINE (CAS# 72-18-4); (M+NA)+","moverz_quant":"117.0784","ri":"0.894","ri_type":"","pubchem_id":"6287","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"XANTHINE (CAS# 69-89-6); (M+H)+","moverz_quant":"152.0339","ri":"1.234","ri_type":"","pubchem_id":"1188","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"XANTHOSINE (CAS# 146-80-5); (M+H)+","moverz_quant":"284.0772","ri":"2.323","ri_type":"","pubchem_id":"64959","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"XANTHOSINE 5'-PHOSPHATE (CAS# 523-98-8); (2M+H)+","moverz_quant":"364.0387","ri":"0.96","ri_type":"","pubchem_id":"73323","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"XANTHOSINE 5'-PHOSPHATE (CAS# 523-98-8); (M+H)+","moverz_quant":"364.0388","ri":"1.222","ri_type":"","pubchem_id":"73323","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"XANTHURENIC ACID (CAS# 59-00-7); (M+H)+","moverz_quant":"205.0377","ri":"4.682","ri_type":"","pubchem_id":"5699","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"XYLOSE (CAS# 58-86-6); (2M+NA)+[-H2O]","moverz_quant":"150.0526","ri":"2.004","ri_type":"","pubchem_id":"135191","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+","moverz_quant":"219.1123","ri":"3.96","ri_type":"","pubchem_id":"449093","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""}]
}

}