{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000725","ANALYSIS_ID":"AN001137","VERSION":"1","CREATED_ON":"July 2, 2017, 10:04 pm"},

"PROJECT":{"PROJECT_TITLE":"Metabolome, body composition, and muscle performance in children","PROJECT_TYPE":"MS analysis","PROJECT_SUMMARY":"Examining potential relationships between metabolome, body composition, and muscle performance in children","INSTITUTE":"University of Kansas","DEPARTMENT":"Health, Sport, and Exercise Sciences","LABORATORY":"Herda Lab","LAST_NAME":"Herda","FIRST_NAME":"Trent","ADDRESS":"Lawrence, KS","EMAIL":"t.herda@ku.edu","PHONE":"785-864-2224"},

"STUDY":{"STUDY_TITLE":"Metabolome, body composition, and muscle performance in children","STUDY_TYPE":"MS analysis","STUDY_SUMMARY":"The purpose of this study is to determine potential relationships between plasma metabolome patterns and body composition in addition to muscle quality and muscular performance in children. Children ages 8 to 10 will complete body composition testing including BMI and skin fold measurements. An ultrasound machine will be used to determine cross-sectional area and echo intensity in the vastus lateralis and rectus femoris muscles as a measure of muscle quality. Isokinetic leg extension strength, power, and fatigability will be determined from a series of maximal knee extensions using an isokinetic dynamometer. An untargeted metabolomics test will be used on a single plasma sample from each subject in order to examine plasma metabolome","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":"12","TOTAL_SUBJECTS":"11"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"SU0017646",
"Sample ID":"S00027740",
"Factors":{"gender":"Male"},
"Additional sample data":{"BMI":"22.67"}
},
{
"Subject ID":"SU0017647",
"Sample ID":"S00027741",
"Factors":{"gender":"Male"},
"Additional sample data":{"BMI":"15.94"}
},
{
"Subject ID":"SU0017648",
"Sample ID":"S00027742",
"Factors":{"gender":"Male"},
"Additional sample data":{"BMI":"16.53"}
},
{
"Subject ID":"SU0017649",
"Sample ID":"S00027743",
"Factors":{"gender":"Male"},
"Additional sample data":{"BMI":"16.09"}
},
{
"Subject ID":"SU0017650",
"Sample ID":"S00027744",
"Factors":{"gender":"Female"},
"Additional sample data":{"BMI":"16.61"}
},
{
"Subject ID":"SU0017651",
"Sample ID":"S00027745",
"Factors":{"gender":"Female"},
"Additional sample data":{"BMI":"25.56"}
},
{
"Subject ID":"SU0017652",
"Sample ID":"S00027746",
"Factors":{"gender":"Female"},
"Additional sample data":{"BMI":"17.82"}
},
{
"Subject ID":"SU0017653",
"Sample ID":"S00027747",
"Factors":{"gender":"Male"},
"Additional sample data":{"BMI":"15.51"}
},
{
"Subject ID":"SU0017654",
"Sample ID":"S00027748",
"Factors":{"gender":"Male"},
"Additional sample data":{"BMI":"16.09"}
},
{
"Subject ID":"SU0017655",
"Sample ID":"S00027749",
"Factors":{"gender":"Female"},
"Additional sample data":{"BMI":"18.14"}
},
{
"Subject ID":"SU0017656",
"Sample ID":"S00027750",
"Factors":{"gender":"Male"},
"Additional sample data":{"BMI":"15.35"}
}
],
"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":"1-METHYLADENOSINE (M+H)+","S00027740":"20125","S00027741":"14070","S00027742":"15488","S00027743":"9725","S00027744":"9460","S00027745":"15482","S00027746":"10312","S00027747":"10754","S00027748":"14558","S00027749":"11354","S00027750":"12047"},{"Metabolite":"1-METHYLXANTHINE (M+H)+","S00027740":"1899726","S00027741":"2080067","S00027742":"2157346","S00027743":"1893305","S00027744":"2069199","S00027745":"1899625","S00027746":"1966794","S00027747":"2417199","S00027748":"1755109","S00027749":"1848905","S00027750":"1860649"},{"Metabolite":"1-METHYLXANTHINE (M+NA)+","S00027740":"27750","S00027741":"30277","S00027742":"31392","S00027743":"26927","S00027744":"29581","S00027745":"27861","S00027746":"27077","S00027747":"35333","S00027748":"24442","S00027749":"23698","S00027750":"27202"},{"Metabolite":"16:0 LYSO PC (M+H)+","S00027740":"12700000","S00027741":"18100000","S00027742":"15700000","S00027743":"17600000","S00027744":"26500000","S00027745":"14400000","S00027746":"18500000","S00027747":"18800000","S00027748":"15700000","S00027749":"14300000","S00027750":"14700000"},{"Metabolite":"16:0 LYSO PC (M+NA)+","S00027740":"3603830","S00027741":"4080817","S00027742":"4054814","S00027743":"4037949","S00027744":"4446465","S00027745":"4005575","S00027746":"4419253","S00027747":"4081302","S00027748":"3804699","S00027749":"3879740","S00027750":"3835848"},{"Metabolite":"16:0-18:0 PC (M+H)+","S00027740":"178630","S00027741":"331554","S00027742":"186214","S00027743":"207066","S00027744":"407568","S00027745":"168144","S00027746":"229914","S00027747":"283165","S00027748":"157309","S00027749":"156733","S00027750":"183786"},{"Metabolite":"18:0 LYSO-PE (M+H)+","S00027740":"103281","S00027741":"138699","S00027742":"131736","S00027743":"140827","S00027744":"192607","S00027745":"94414","S00027746":"145294","S00027747":"109814","S00027748":"134112","S00027749":"96007","S00027750":"112967"},{"Metabolite":"18:0 LYSO-PE (M+NA)+","S00027740":"","S00027741":"32021","S00027742":"27559","S00027743":"35895","S00027744":"33894","S00027745":"","S00027746":"26525","S00027747":"","S00027748":"","S00027749":"","S00027750":""},{"Metabolite":"2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+H)+","S00027740":"","S00027741":"5583","S00027742":"5327","S00027743":"6561","S00027744":"5159","S00027745":"5228","S00027746":"5121","S00027747":"5723","S00027748":"4357","S00027749":"","S00027750":"5381"},{"Metabolite":"2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+NA)+","S00027740":"","S00027741":"7664","S00027742":"6190","S00027743":"","S00027744":"","S00027745":"","S00027746":"","S00027747":"","S00027748":"5210","S00027749":"","S00027750":"8313"},{"Metabolite":"2-DEOXY-D-GLUCOSE (M+NA)+","S00027740":"","S00027741":"14932","S00027742":"7948","S00027743":"10109","S00027744":"17102","S00027745":"17740","S00027746":"27780","S00027747":"16081","S00027748":"23838","S00027749":"9090","S00027750":"21760"},{"Metabolite":"2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M+H)+","S00027740":"","S00027741":"","S00027742":"","S00027743":"","S00027744":"","S00027745":"48500","S00027746":"","S00027747":"","S00027748":"87048","S00027749":"","S00027750":""},{"Metabolite":"20:0 LYSO PC (M+H)+","S00027740":"81964","S00027741":"131621","S00027742":"99800","S00027743":"60589","S00027744":"147961","S00027745":"52012","S00027746":"104822","S00027747":"111208","S00027748":"76653","S00027749":"68327","S00027750":"110966"},{"Metabolite":"24:0 SM (D18:1/24:0) (M+H)+","S00027740":"381085","S00027741":"587856","S00027742":"208208","S00027743":"367097","S00027744":"616103","S00027745":"355801","S00027746":"442707","S00027747":"471056","S00027748":"292787","S00027749":"367986","S00027750":"348684"},{"Metabolite":"24:0 SM (D18:1/24:0) (M+NA)+","S00027740":"419364","S00027741":"1387000","S00027742":"195090","S00027743":"412375","S00027744":"980589","S00027745":"228559","S00027746":"807594","S00027747":"581383","S00027748":"180772","S00027749":"522047","S00027750":"282430"},{"Metabolite":"25-HYDROXYCHOLESTEROL (M+H)+[-H2O]","S00027740":"","S00027741":"","S00027742":"6626","S00027743":"","S00027744":"","S00027745":"3495","S00027746":"","S00027747":"","S00027748":"","S00027749":"3697","S00027750":""},{"Metabolite":"3-AMINO-4-HYDROXYBENZOIC ACID (M+H)+","S00027740":"75393","S00027741":"92502","S00027742":"83829","S00027743":"66722","S00027744":"90551","S00027745":"52873","S00027746":"61187","S00027747":"62180","S00027748":"68619","S00027749":"74248","S00027750":"87529"},{"Metabolite":"3-DEHYDROSHIKIMIC ACID (M+H)+[-H2O]","S00027740":"7802","S00027741":"6022","S00027742":"9331","S00027743":"4886","S00027744":"9476","S00027745":"","S00027746":"9254","S00027747":"","S00027748":"5060","S00027749":"11027","S00027750":"24932"},{"Metabolite":"3-HYDROXYANTHRANILIC ACID (M+H)+","S00027740":"","S00027741":"4698","S00027742":"2477","S00027743":"","S00027744":"","S00027745":"1744","S00027746":"1517","S00027747":"3316","S00027748":"","S00027749":"","S00027750":""},{"Metabolite":"3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]","S00027740":"163929","S00027741":"76637","S00027742":"80434","S00027743":"45016","S00027744":"66267","S00027745":"40835","S00027746":"29258","S00027747":"24214","S00027748":"61390","S00027749":"87662","S00027750":"52157"},{"Metabolite":"3-METHOXYTYROSINE (M+H)+","S00027740":"32408","S00027741":"","S00027742":"29981","S00027743":"12644","S00027744":"28700","S00027745":"27419","S00027746":"27809","S00027747":"25625","S00027748":"","S00027749":"22239","S00027750":"37568"},{"Metabolite":"3-METHYLXANTHINE (M+H)+","S00027740":"18900000","S00027741":"20300000","S00027742":"20300000","S00027743":"18200000","S00027744":"19300000","S00027745":"18900000","S00027746":"18900000","S00027747":"23500000","S00027748":"16600000","S00027749":"17600000","S00027750":"18200000"},{"Metabolite":"4-HYDROXY-3-METHOXYPHENYLGLYCOL (M+H)+[-H2O]","S00027740":"56995","S00027741":"","S00027742":"","S00027743":"","S00027744":"41090","S00027745":"40904","S00027746":"","S00027747":"","S00027748":"","S00027749":"49291","S00027750":"33230"},{"Metabolite":"4-PYRIDOXIC ACID (M+NA)+","S00027740":"","S00027741":"2834","S00027742":"","S00027743":"","S00027744":"","S00027745":"","S00027746":"","S00027747":"6115","S00027748":"2385","S00027749":"5659","S00027750":"6020"},{"Metabolite":"4-QUINOLINECARBOXYLIC ACID #2 (M+H)+","S00027740":"17057","S00027741":"15074","S00027742":"17171","S00027743":"20850","S00027744":"","S00027745":"","S00027746":"","S00027747":"9494","S00027748":"14991","S00027749":"10022","S00027750":"7750"},{"Metabolite":"5'-METHYLTHIOADENOSINE (M+H)+","S00027740":"10860","S00027741":"14909","S00027742":"13359","S00027743":"8157","S00027744":"10977","S00027745":"11625","S00027746":"10727","S00027747":"10779","S00027748":"10109","S00027749":"8921","S00027750":"10345"},{"Metabolite":"5-AMINOPENTANOIC ACID (M+H)+","S00027740":"975145","S00027741":"1531312","S00027742":"4339511","S00027743":"929873","S00027744":"1709177","S00027745":"6039091","S00027746":"1221490","S00027747":"1083427","S00027748":"4001149","S00027749":"913656","S00027750":"1492974"},{"Metabolite":"5-HYDROXYTRYPTOPHAN (M+H)+","S00027740":"33438","S00027741":"44627","S00027742":"45025","S00027743":"16682","S00027744":"17125","S00027745":"31544","S00027746":"","S00027747":"36864","S00027748":"41342","S00027749":"","S00027750":"33586"},{"Metabolite":"5-OXOPROLINE (M+H)+","S00027740":"232638","S00027741":"158551","S00027742":"207524","S00027743":"206606","S00027744":"200417","S00027745":"207331","S00027746":"190362","S00027747":"189797","S00027748":"198609","S00027749":"247983","S00027750":"236279"},{"Metabolite":"ACETYLCARNITINE (M+H)+","S00027740":"153996","S00027741":"359642","S00027742":"708901","S00027743":"480385","S00027744":"781363","S00027745":"339530","S00027746":"308468","S00027747":"376939","S00027748":"200488","S00027749":"537152","S00027750":"367664"},{"Metabolite":"ADENOSINE (M+H)+","S00027740":"17317","S00027741":"48831","S00027742":"29271","S00027743":"6616","S00027744":"18081","S00027745":"12557","S00027746":"18072","S00027747":"10379","S00027748":"22320","S00027749":"9139","S00027750":"10811"},{"Metabolite":"ADENOSINE 5'-MONOPHOSPHATE (M+H)+","S00027740":"23993","S00027741":"","S00027742":"","S00027743":"14356","S00027744":"27389","S00027745":"18934","S00027746":"15750","S00027747":"","S00027748":"21789","S00027749":"","S00027750":"25827"},{"Metabolite":"ADIPIC ACID (M+NA)+","S00027740":"10713","S00027741":"4507","S00027742":"5490","S00027743":"","S00027744":"10491","S00027745":"22622","S00027746":"10812","S00027747":"14054","S00027748":"40261","S00027749":"","S00027750":"11930"},{"Metabolite":"ALANINE (M+H)+","S00027740":"20566","S00027741":"14659","S00027742":"","S00027743":"30902","S00027744":"","S00027745":"18475","S00027746":"","S00027747":"","S00027748":"19669","S00027749":"24674","S00027750":"10873"},{"Metabolite":"ALLANTOIN (M+H)+","S00027740":"","S00027741":"7533","S00027742":"","S00027743":"","S00027744":"","S00027745":"7924","S00027746":"8599","S00027747":"","S00027748":"","S00027749":"","S00027750":"5675"},{"Metabolite":"ALPHA-D-GALACTOSE 1-PHOSPHATE (M+NA)+","S00027740":"","S00027741":"","S00027742":"","S00027743":"","S00027744":"","S00027745":"","S00027746":"","S00027747":"","S00027748":"","S00027749":"3170","S00027750":""},{"Metabolite":"ALPHA-TOCOPHEROL (M+H)+","S00027740":"71238","S00027741":"63110","S00027742":"53884","S00027743":"67173","S00027744":"41800","S00027745":"66228","S00027746":"70749","S00027747":"54514","S00027748":"60801","S00027749":"71887","S00027750":"74693"},{"Metabolite":"ASPARAGINE (M+H)+","S00027740":"","S00027741":"23611","S00027742":"19806","S00027743":"25478","S00027744":"18124","S00027745":"18742","S00027746":"10724","S00027747":"21719","S00027748":"6521","S00027749":"13628","S00027750":"15559"},{"Metabolite":"ASPARTIC ACID (M+NA)+","S00027740":"","S00027741":"","S00027742":"","S00027743":"","S00027744":"","S00027745":"19604","S00027746":"","S00027747":"","S00027748":"","S00027749":"","S00027750":""},{"Metabolite":"AZELAIC ACID (M+H)+","S00027740":"","S00027741":"","S00027742":"","S00027743":"3516","S00027744":"1890","S00027745":"","S00027746":"","S00027747":"1890","S00027748":"","S00027749":"","S00027750":""},{"Metabolite":"AZELAIC ACID (M+H)+[-H2O]","S00027740":"18566","S00027741":"18799","S00027742":"15922","S00027743":"43249","S00027744":"20388","S00027745":"11822","S00027746":"19275","S00027747":"23792","S00027748":"17776","S00027749":"13315","S00027750":"17447"},{"Metabolite":"AZELAIC ACID (M+NA)+","S00027740":"52762","S00027741":"50675","S00027742":"43010","S00027743":"121028","S00027744":"54941","S00027745":"29460","S00027746":"52317","S00027747":"67197","S00027748":"46685","S00027749":"30816","S00027750":"44718"},{"Metabolite":"BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+H)+","S00027740":"2148","S00027741":"","S00027742":"","S00027743":"","S00027744":"","S00027745":"","S00027746":"","S00027747":"","S00027748":"","S00027749":"","S00027750":""},{"Metabolite":"BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+NA)+","S00027740":"1548","S00027741":"","S00027742":"2553","S00027743":"1714","S00027744":"","S00027745":"2133","S00027746":"","S00027747":"","S00027748":"1876","S00027749":"","S00027750":""},{"Metabolite":"BILIVERDIN (M+H)+","S00027740":"169658","S00027741":"67130","S00027742":"116580","S00027743":"79158","S00027744":"109420","S00027745":"70373","S00027746":"128211","S00027747":"132607","S00027748":"157571","S00027749":"110967","S00027750":"94512"},{"Metabolite":"BILIVERDIN (M+NA)+","S00027740":"13242","S00027741":"5327","S00027742":"8004","S00027743":"4973","S00027744":"8366","S00027745":"5010","S00027746":"9144","S00027747":"10399","S00027748":"11664","S00027749":"11054","S00027750":"6853"},{"Metabolite":"BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+","S00027740":"51228","S00027741":"105463","S00027742":"75497","S00027743":"85138","S00027744":"94445","S00027745":"98076","S00027746":"78562","S00027747":"74855","S00027748":"42018","S00027749":"90167","S00027750":"54250"},{"Metabolite":"BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+","S00027740":"577568","S00027741":"1661546","S00027742":"1247571","S00027743":"1180942","S00027744":"1300056","S00027745":"995698","S00027746":"981832","S00027747":"946775","S00027748":"398200","S00027749":"1143065","S00027750":"703441"},{"Metabolite":"BUTYRYLCARNITINE (*) (M+H)+","S00027740":"127153","S00027741":"132144","S00027742":"120104","S00027743":"126266","S00027744":"81300","S00027745":"154519","S00027746":"82725","S00027747":"159703","S00027748":"140030","S00027749":"77770","S00027750":"255520"},{"Metabolite":"CAFFEINE (M+H)+","S00027740":"682470","S00027741":"","S00027742":"","S00027743":"26077","S00027744":"7939","S00027745":"42003","S00027746":"57011","S00027747":"29454","S00027748":"41188","S00027749":"3332","S00027750":""},{"Metabolite":"CALCIDIOL (M+H)+[-H2O]","S00027740":"12571","S00027741":"22194","S00027742":"18028","S00027743":"35086","S00027744":"15112","S00027745":"17923","S00027746":"18799","S00027747":"16553","S00027748":"18400","S00027749":"16783","S00027750":"11458"},{"Metabolite":"CALCIDIOL (M+NA)+","S00027740":"13680","S00027741":"","S00027742":"","S00027743":"","S00027744":"2539","S00027745":"","S00027746":"","S00027747":"","S00027748":"12470","S00027749":"4235","S00027750":""},{"Metabolite":"CARNITINE (M+H)+","S00027740":"9481","S00027741":"26298","S00027742":"16846","S00027743":"495082","S00027744":"53686","S00027745":"5916","S00027746":"670295","S00027747":"34860","S00027748":"26001","S00027749":"363282","S00027750":"36492"},{"Metabolite":"CARNOSINE (M+NA)+","S00027740":"35547","S00027741":"18650","S00027742":"22911","S00027743":"34760","S00027744":"16706","S00027745":"17387","S00027746":"22246","S00027747":"","S00027748":"2642","S00027749":"24515","S00027750":""},{"Metabolite":"CHOLESTEROL (M+H)+[-H2O]","S00027740":"772643","S00027741":"649660","S00027742":"726187","S00027743":"674451","S00027744":"582923","S00027745":"862714","S00027746":"804684","S00027747":"697244","S00027748":"713259","S00027749":"778945","S00027750":"777802"},{"Metabolite":"CHOLESTEROL HYDROGEN SULFATE M+[-HSO4]","S00027740":"60098","S00027741":"","S00027742":"","S00027743":"","S00027744":"19907","S00027745":"35953","S00027746":"7268","S00027747":"24533","S00027748":"63496","S00027749":"32321","S00027750":"21553"},{"Metabolite":"CHOLINE PHOSPHATE (M+H)+","S00027740":"24985","S00027741":"25932","S00027742":"24833","S00027743":"16303","S00027744":"18551","S00027745":"22943","S00027746":"20528","S00027747":"25889","S00027748":"20781","S00027749":"15565","S00027750":"26544"},{"Metabolite":"CITRIC ACID (M+NA)+","S00027740":"354749","S00027741":"245936","S00027742":"323771","S00027743":"167028","S00027744":"293291","S00027745":"262582","S00027746":"340387","S00027747":"245604","S00027748":"311589","S00027749":"379619","S00027750":"356262"},{"Metabolite":"CORTICOSTERONE (M+H)+","S00027740":"5522","S00027741":"","S00027742":"","S00027743":"","S00027744":"10536","S00027745":"","S00027746":"5276","S00027747":"13438","S00027748":"","S00027749":"","S00027750":"4455"},{"Metabolite":"CORTICOSTERONE (M+NA)+","S00027740":"6964","S00027741":"3058","S00027742":"1974","S00027743":"5156","S00027744":"11663","S00027745":"","S00027746":"5331","S00027747":"14967","S00027748":"4140","S00027749":"","S00027750":"4756"},{"Metabolite":"CORTISOL (M+H)+","S00027740":"110824","S00027741":"108106","S00027742":"52064","S00027743":"164023","S00027744":"221651","S00027745":"107235","S00027746":"106009","S00027747":"196412","S00027748":"78352","S00027749":"74885","S00027750":"134117"},{"Metabolite":"CORTISOL (M+NA)+","S00027740":"150268","S00027741":"157964","S00027742":"81895","S00027743":"199283","S00027744":"259935","S00027745":"145933","S00027746":"154601","S00027747":"237890","S00027748":"114813","S00027749":"101157","S00027750":"168006"},{"Metabolite":"CORTISONE (M+H)+","S00027740":"34235","S00027741":"31456","S00027742":"25101","S00027743":"52281","S00027744":"51927","S00027745":"32530","S00027746":"34013","S00027747":"36906","S00027748":"26319","S00027749":"29917","S00027750":"42041"},{"Metabolite":"CORTISONE (M+NA)+","S00027740":"30312","S00027741":"29575","S00027742":"22242","S00027743":"44468","S00027744":"48666","S00027745":"29029","S00027746":"31840","S00027747":"33820","S00027748":"24792","S00027749":"26442","S00027750":"36812"},{"Metabolite":"CREATINE (M+H)+","S00027740":"","S00027741":"84760","S00027742":"","S00027743":"65880","S00027744":"143683","S00027745":"","S00027746":"43245","S00027747":"40494","S00027748":"","S00027749":"","S00027750":"73525"},{"Metabolite":"CREATININE (M+H)+","S00027740":"","S00027741":"","S00027742":"","S00027743":"4971","S00027744":"9214","S00027745":"","S00027746":"13736","S00027747":"14223","S00027748":"","S00027749":"","S00027750":"29065"},{"Metabolite":"CYSTATHIONINE (M+H)+","S00027740":"","S00027741":"18966","S00027742":"","S00027743":"","S00027744":"16826","S00027745":"15108","S00027746":"16225","S00027747":"17007","S00027748":"16129","S00027749":"14721","S00027750":"15291"},{"Metabolite":"CYSTEIC ACID (M+H)+","S00027740":"15332","S00027741":"18159","S00027742":"17886","S00027743":"19850","S00027744":"14464","S00027745":"15377","S00027746":"7512","S00027747":"19169","S00027748":"6851","S00027749":"8490","S00027750":"7908"},{"Metabolite":"CYSTINE (M+NA)+","S00027740":"","S00027741":"","S00027742":"1360","S00027743":"","S00027744":"2526","S00027745":"","S00027746":"","S00027747":"","S00027748":"","S00027749":"","S00027750":""},{"Metabolite":"CYTIDINE 5'-DIPHOSPHOCHOLINE (M+K)+","S00027740":"4247","S00027741":"7401","S00027742":"4959","S00027743":"4719","S00027744":"4016","S00027745":"","S00027746":"4475","S00027747":"1312","S00027748":"7245","S00027749":"5416","S00027750":"3522"},{"Metabolite":"CYTIDINE 5'-DIPHOSPHOCHOLINE (M+NA)+","S00027740":"","S00027741":"6791","S00027742":"9688","S00027743":"8729","S00027744":"","S00027745":"7254","S00027746":"9463","S00027747":"7325","S00027748":"","S00027749":"4934","S00027750":"9263"},{"Metabolite":"CYTOSINE (M+NA)+","S00027740":"","S00027741":"3064","S00027742":"","S00027743":"","S00027744":"","S00027745":"4353","S00027746":"","S00027747":"3692","S00027748":"5354","S00027749":"4815","S00027750":""},{"Metabolite":"DECENOYLCARNITINE (*) (M+H)+","S00027740":"390947","S00027741":"","S00027742":"41634","S00027743":"","S00027744":"","S00027745":"","S00027746":"","S00027747":"51339","S00027748":"","S00027749":"6782","S00027750":"30746"},{"Metabolite":"DEOXYCHOLIC ACID (2M+NA)+","S00027740":"64048","S00027741":"","S00027742":"","S00027743":"","S00027744":"17732","S00027745":"","S00027746":"","S00027747":"","S00027748":"","S00027749":"","S00027750":""},{"Metabolite":"DEOXYCHOLIC ACID (M+H)+[-H2O]","S00027740":"37192","S00027741":"","S00027742":"","S00027743":"6007","S00027744":"21033","S00027745":"","S00027746":"","S00027747":"6970","S00027748":"","S00027749":"","S00027750":""},{"Metabolite":"DEOXYCHOLIC ACID (M+NA)+","S00027740":"47539","S00027741":"","S00027742":"","S00027743":"","S00027744":"23078","S00027745":"","S00027746":"","S00027747":"8065","S00027748":"","S00027749":"","S00027750":""},{"Metabolite":"DESMOSTEROL (M+H)+[-H2O]","S00027740":"4847","S00027741":"10638","S00027742":"","S00027743":"","S00027744":"8251","S00027745":"10042","S00027746":"9066","S00027747":"10830","S00027748":"4977","S00027749":"","S00027750":""},{"Metabolite":"DIETHYLSTILBESTROL (M+NA)+","S00027740":"8661","S00027741":"","S00027742":"","S00027743":"","S00027744":"","S00027745":"","S00027746":"","S00027747":"","S00027748":"4246","S00027749":"","S00027750":""},{"Metabolite":"DIPALMITOYL-GLYCEROL (M+NA)+","S00027740":"51114","S00027741":"65148","S00027742":"96552","S00027743":"448743","S00027744":"147550","S00027745":"163253","S00027746":"84365","S00027747":"306447","S00027748":"102091","S00027749":"49414","S00027750":"56662"},{"Metabolite":"DODECENOYLCARNITINE (*) II M+","S00027740":"172221","S00027741":"91518","S00027742":"177748","S00027743":"63713","S00027744":"14379","S00027745":"44955","S00027746":"112028","S00027747":"159788","S00027748":"29805","S00027749":"19502","S00027750":"56777"},{"Metabolite":"DUMP (M+H)+","S00027740":"2726","S00027741":"3831","S00027742":"8501","S00027743":"13491","S00027744":"11195","S00027745":"","S00027746":"6659","S00027747":"","S00027748":"3748","S00027749":"6573","S00027750":"5375"},{"Metabolite":"EICOSADIENOYLCARNITINE (*) (M+H)+","S00027740":"5842","S00027741":"8330","S00027742":"5779","S00027743":"5000","S00027744":"14589","S00027745":"2881","S00027746":"5659","S00027747":"12637","S00027748":"5432","S00027749":"10975","S00027750":"12426"},{"Metabolite":"EICOSANOYLCARNITINE (*) (M+H)+","S00027740":"6381","S00027741":"9938","S00027742":"9442","S00027743":"6136","S00027744":"10942","S00027745":"5088","S00027746":"6674","S00027747":"8103","S00027748":"7206","S00027749":"5614","S00027750":"7861"},{"Metabolite":"EICOSENOYLCARNITINE (*) (M+H)+","S00027740":"","S00027741":"12151","S00027742":"","S00027743":"","S00027744":"27258","S00027745":"","S00027746":"10110","S00027747":"","S00027748":"10376","S00027749":"15002","S00027750":"16176"},{"Metabolite":"ELAIDIC ACID (M+H)+","S00027740":"78416","S00027741":"","S00027742":"45462","S00027743":"","S00027744":"","S00027745":"33083","S00027746":"72191","S00027747":"44436","S00027748":"","S00027749":"","S00027750":"53832"},{"Metabolite":"EPIBRASSINOLIDE [ISTD] (M+H)+","S00027740":"1750707","S00027741":"1976087","S00027742":"2019793","S00027743":"2028819","S00027744":"1953022","S00027745":"1999258","S00027746":"1962281","S00027747":"1993075","S00027748":"1896139","S00027749":"1943789","S00027750":"1835364"},{"Metabolite":"EPIBRASSINOLIDE [ISTD] (M+NA)+","S00027740":"1251023","S00027741":"1357583","S00027742":"1406103","S00027743":"1357374","S00027744":"1373868","S00027745":"1369432","S00027746":"1395768","S00027747":"1484371","S00027748":"1299735","S00027749":"1307154","S00027750":"1288969"},{"Metabolite":"ESTRONE (M+H)+","S00027740":"8761","S00027741":"6089","S00027742":"7563","S00027743":"","S00027744":"4608","S00027745":"8648","S00027746":"5662","S00027747":"","S00027748":"9045","S00027749":"6260","S00027750":"7693"},{"Metabolite":"GAMMA-LINOLENIC ACID (M+NA)+","S00027740":"38621","S00027741":"53137","S00027742":"50725","S00027743":"21382","S00027744":"48812","S00027745":"10828","S00027746":"51842","S00027747":"30057","S00027748":"","S00027749":"24726","S00027750":"27820"},{"Metabolite":"GENTISURIC ACID (M+H)+","S00027740":"3412","S00027741":"","S00027742":"2999","S00027743":"","S00027744":"5450","S00027745":"1957","S00027746":"2656","S00027747":"3863","S00027748":"1515","S00027749":"3377","S00027750":"3322"},{"Metabolite":"GLUCOSAMINIC ACID (M+NA)+","S00027740":"10746","S00027741":"9865","S00027742":"8972","S00027743":"15188","S00027744":"5952","S00027745":"11978","S00027746":"6457","S00027747":"10679","S00027748":"9409","S00027749":"9548","S00027750":"8441"},{"Metabolite":"GLUCOSE (M+NA)+","S00027740":"43385","S00027741":"64169","S00027742":"58146","S00027743":"","S00027744":"78436","S00027745":"","S00027746":"90611","S00027747":"33176","S00027748":"91075","S00027749":"47417","S00027750":"122123"},{"Metabolite":"GLUTATHIONE OXIDIZED (M+H)+","S00027740":"","S00027741":"","S00027742":"","S00027743":"","S00027744":"","S00027745":"","S00027746":"","S00027747":"","S00027748":"2044","S00027749":"1186","S00027750":""},{"Metabolite":"GLUTATHIONE OXIDIZED (M+H2)+2","S00027740":"","S00027741":"12229","S00027742":"10860","S00027743":"11954","S00027744":"22332","S00027745":"11609","S00027746":"11639","S00027747":"14941","S00027748":"19761","S00027749":"13325","S00027750":"22766"},{"Metabolite":"GLYCEROL MYRISTATE (M+H)+[-H2O]","S00027740":"4065","S00027741":"","S00027742":"2228","S00027743":"2937","S00027744":"","S00027745":"2317","S00027746":"2332","S00027747":"3069","S00027748":"","S00027749":"","S00027750":"2579"},{"Metabolite":"GLYCOCHENODEOXYCHOLIC ACID (M+H)+","S00027740":"17278","S00027741":"25514","S00027742":"","S00027743":"55549","S00027744":"15761","S00027745":"10665","S00027746":"29877","S00027747":"73865","S00027748":"6410","S00027749":"43139","S00027750":"7004"},{"Metabolite":"GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O]","S00027740":"295204","S00027741":"415621","S00027742":"17899","S00027743":"787529","S00027744":"254499","S00027745":"185302","S00027746":"449509","S00027747":"979520","S00027748":"112489","S00027749":"586297","S00027750":"115747"},{"Metabolite":"GLYCOCHENODEOXYCHOLIC ACID (M+NA)+","S00027740":"159538","S00027741":"223373","S00027742":"12060","S00027743":"438703","S00027744":"136327","S00027745":"105460","S00027746":"250464","S00027747":"571857","S00027748":"59638","S00027749":"335384","S00027750":"60400"},{"Metabolite":"GLYCOCHOLIC ACID (M+H)+","S00027740":"98811","S00027741":"142180","S00027742":"2864","S00027743":"206326","S00027744":"37677","S00027745":"40969","S00027746":"66735","S00027747":"208502","S00027748":"27205","S00027749":"86914","S00027750":"22633"},{"Metabolite":"GLYCOCHOLIC ACID (M+H)+[-H2O]","S00027740":"53643","S00027741":"24253","S00027742":"","S00027743":"21006","S00027744":"20099","S00027745":"8914","S00027746":"10550","S00027747":"104281","S00027748":"15817","S00027749":"52270","S00027750":"11854"},{"Metabolite":"GLYCOCHOLIC ACID (M+NA)+","S00027740":"53917","S00027741":"77096","S00027742":"1805","S00027743":"111433","S00027744":"19795","S00027745":"22989","S00027746":"35167","S00027747":"108159","S00027748":"15901","S00027749":"47916","S00027750":"12764"},{"Metabolite":"GUANINE (M+H)+","S00027740":"","S00027741":"22133","S00027742":"21107","S00027743":"21726","S00027744":"88394","S00027745":"20451","S00027746":"25758","S00027747":"33659","S00027748":"17244","S00027749":"22986","S00027750":"21162"},{"Metabolite":"GUANOSINE (M+H)+","S00027740":"","S00027741":"3800","S00027742":"4981","S00027743":"","S00027744":"5498","S00027745":"","S00027746":"","S00027747":"","S00027748":"3046","S00027749":"","S00027750":""},{"Metabolite":"HEXANOYLCARNITINE (*) M+","S00027740":"106483","S00027741":"94583","S00027742":"182408","S00027743":"63359","S00027744":"101558","S00027745":"101014","S00027746":"151221","S00027747":"170832","S00027748":"66053","S00027749":"107594","S00027750":"178202"},{"Metabolite":"HIPPURIC ACID (M+H)+","S00027740":"368713","S00027741":"178727","S00027742":"178847","S00027743":"92977","S00027744":"153301","S00027745":"88999","S00027746":"65790","S00027747":"53829","S00027748":"132923","S00027749":"195888","S00027750":"116759"},{"Metabolite":"HIPPURIC ACID (M+NA)+","S00027740":"455395","S00027741":"219730","S00027742":"231208","S00027743":"110898","S00027744":"203294","S00027745":"114562","S00027746":"87082","S00027747":"70910","S00027748":"172263","S00027749":"233066","S00027750":"156469"},{"Metabolite":"HISTAMINE (M+NA)+","S00027740":"","S00027741":"","S00027742":"1604","S00027743":"","S00027744":"2643","S00027745":"","S00027746":"","S00027747":"","S00027748":"","S00027749":"","S00027750":"1278"},{"Metabolite":"HOMOGENTISIC ACID (M+H)+","S00027740":"","S00027741":"9900","S00027742":"59786","S00027743":"23131","S00027744":"56840","S00027745":"15663","S00027746":"","S00027747":"","S00027748":"19960","S00027749":"98698","S00027750":"132842"},{"Metabolite":"HOMOSERINE (M+NA)+","S00027740":"","S00027741":"1384","S00027742":"","S00027743":"","S00027744":"1600","S00027745":"","S00027746":"","S00027747":"1699","S00027748":"","S00027749":"","S00027750":""},{"Metabolite":"HYODEOXYCHOLIC ACID (M+NA)+","S00027740":"11471","S00027741":"9392","S00027742":"","S00027743":"","S00027744":"","S00027745":"","S00027746":"","S00027747":"","S00027748":"","S00027749":"","S00027750":""},{"Metabolite":"HYPOXANTHINE (M+H)+","S00027740":"216898","S00027741":"102664","S00027742":"180297","S00027743":"367311","S00027744":"540952","S00027745":"132906","S00027746":"97033","S00027747":"181060","S00027748":"121161","S00027749":"437412","S00027750":"200233"},{"Metabolite":"HYPOXANTHINE (M+NA)+","S00027740":"","S00027741":"21269","S00027742":"","S00027743":"","S00027744":"116220","S00027745":"","S00027746":"","S00027747":"","S00027748":"","S00027749":"","S00027750":""},{"Metabolite":"INDOLE-3-ACETALDEHYDE (M+H)+","S00027740":"372956","S00027741":"585261","S00027742":"556316","S00027743":"202402","S00027744":"404415","S00027745":"330284","S00027746":"162072","S00027747":"359742","S00027748":"657931","S00027749":"252815","S00027750":"436099"},{"Metabolite":"INDOLE-3-ACETIC ACID (M+H)+","S00027740":"201843","S00027741":"195042","S00027742":"157150","S00027743":"154579","S00027744":"89472","S00027745":"322176","S00027746":"124531","S00027747":"142164","S00027748":"160441","S00027749":"208143","S00027750":"208302"},{"Metabolite":"INDOLE-3-ACETIC ACID (M+NA)+","S00027740":"53954","S00027741":"53720","S00027742":"43678","S00027743":"41594","S00027744":"24873","S00027745":"86307","S00027746":"23960","S00027747":"38209","S00027748":"44018","S00027749":"50527","S00027750":"54971"},{"Metabolite":"INOSINE 5'-PHOSPHATE (M+H)+","S00027740":"14847","S00027741":"17032","S00027742":"16070","S00027743":"5074","S00027744":"13267","S00027745":"12230","S00027746":"8170","S00027747":"5345","S00027748":"8777","S00027749":"9336","S00027750":"14388"},{"Metabolite":"ISO-BUTYRYLCARNITINE (*) (M+H)+","S00027740":"267695","S00027741":"591612","S00027742":"226122","S00027743":"389289","S00027744":"156894","S00027745":"253728","S00027746":"154965","S00027747":"286619","S00027748":"140030","S00027749":"168789","S00027750":"255520"},{"Metabolite":"ISOLEUCINE (M+H)+","S00027740":"33200000","S00027741":"22700000","S00027742":"19100000","S00027743":"21800000","S00027744":"22300000","S00027745":"24700000","S00027746":"21200000","S00027747":"28300000","S00027748":"19400000","S00027749":"30800000","S00027750":"18100000"},{"Metabolite":"ISOLEUCINE (M+NA)+","S00027740":"233744","S00027741":"288960","S00027742":"258221","S00027743":"245156","S00027744":"291250","S00027745":"294295","S00027746":"265369","S00027747":"356979","S00027748":"236347","S00027749":"244311","S00027750":"274458"},{"Metabolite":"ISOVALERYLCARNITINE (*) (M+H)+","S00027740":"280039","S00027741":"293303","S00027742":"205671","S00027743":"182864","S00027744":"248429","S00027745":"135265","S00027746":"217129","S00027747":"277607","S00027748":"99714","S00027749":"185048","S00027750":"162818"},{"Metabolite":"KYNURENIC ACID (M+H)+","S00027740":"27862","S00027741":"35345","S00027742":"25269","S00027743":"38716","S00027744":"23752","S00027745":"22751","S00027746":"18927","S00027747":"29632","S00027748":"","S00027749":"15595","S00027750":"19148"},{"Metabolite":"KYNURENINE (M+H)+","S00027740":"545492","S00027741":"763816","S00027742":"786848","S00027743":"780358","S00027744":"450407","S00027745":"663136","S00027746":"448639","S00027747":"502068","S00027748":"591017","S00027749":"336967","S00027750":"452904"},{"Metabolite":"KYNURENINE (M+NA)+","S00027740":"14063","S00027741":"21998","S00027742":"20131","S00027743":"23063","S00027744":"13981","S00027745":"19010","S00027746":"11865","S00027747":"14629","S00027748":"18832","S00027749":"10801","S00027750":"12604"},{"Metabolite":"L-ARGININE (M+H)+","S00027740":"4662","S00027741":"7685","S00027742":"6856","S00027743":"5981","S00027744":"9125","S00027745":"5078","S00027746":"8925","S00027747":"7806","S00027748":"7316","S00027749":"7011","S00027750":"8337"},{"Metabolite":"L-ARGININE (M+NA)+","S00027740":"4447","S00027741":"5548","S00027742":"5145","S00027743":"4006","S00027744":"","S00027745":"4215","S00027746":"6785","S00027747":"5414","S00027748":"6533","S00027749":"6999","S00027750":""},{"Metabolite":"L-HISTIDINE (M+H)+","S00027740":"1745","S00027741":"4952","S00027742":"5543","S00027743":"3781","S00027744":"1875","S00027745":"4517","S00027746":"","S00027747":"","S00027748":"","S00027749":"4936","S00027750":""},{"Metabolite":"L-HISTIDINOL (M+H)+","S00027740":"","S00027741":"","S00027742":"1276","S00027743":"","S00027744":"","S00027745":"1493","S00027746":"","S00027747":"","S00027748":"","S00027749":"","S00027750":"1943"},{"Metabolite":"L-TRYPTOPHAN-15N2 [ISTD] (M+H)+","S00027740":"4691699","S00027741":"4999097","S00027742":"5007349","S00027743":"5192274","S00027744":"5056218","S00027745":"5169351","S00027746":"5013883","S00027747":"4932750","S00027748":"5098856","S00027749":"5204661","S00027750":"5060355"},{"Metabolite":"LAUROYLCARNITINE (M+H)+","S00027740":"44291","S00027741":"39355","S00027742":"41654","S00027743":"11581","S00027744":"14770","S00027745":"68206","S00027746":"41738","S00027747":"89375","S00027748":"16996","S00027749":"20690","S00027750":"18137"},{"Metabolite":"LITHOCHOLIC ACID (M+NA)+","S00027740":"12395","S00027741":"","S00027742":"","S00027743":"4965","S00027744":"","S00027745":"","S00027746":"","S00027747":"","S00027748":"","S00027749":"9606","S00027750":""},{"Metabolite":"LYSINE (M+H)+","S00027740":"35980","S00027741":"43159","S00027742":"31370","S00027743":"36196","S00027744":"39331","S00027745":"41954","S00027746":"44214","S00027747":"46816","S00027748":"31901","S00027749":"42443","S00027750":"37199"},{"Metabolite":"LYSINE (M+NA)+","S00027740":"6647","S00027741":"8095","S00027742":"6778","S00027743":"","S00027744":"8445","S00027745":"8503","S00027746":"","S00027747":"","S00027748":"6733","S00027749":"9209","S00027750":"8222"},{"Metabolite":"M-HYDROXYMANDELIC ACID (M+H)+[-H2O]","S00027740":"","S00027741":"","S00027742":"","S00027743":"","S00027744":"1661","S00027745":"","S00027746":"","S00027747":"","S00027748":"1352","S00027749":"","S00027750":""},{"Metabolite":"METHIONINE (M+H)+","S00027740":"2047847","S00027741":"2517690","S00027742":"2417968","S00027743":"2582719","S00027744":"2682467","S00027745":"2414608","S00027746":"2860374","S00027747":"3679453","S00027748":"1999845","S00027749":"2733329","S00027750":"2655738"},{"Metabolite":"METHYL BETA-D-GALACTOSIDE (M+NA)+","S00027740":"135229","S00027741":"106359","S00027742":"110259","S00027743":"200161","S00027744":"110768","S00027745":"129211","S00027746":"109681","S00027747":"141178","S00027748":"90772","S00027749":"158526","S00027750":"83453"},{"Metabolite":"METHYL INDOLE-3-ACETATE (M+H)+","S00027740":"19502","S00027741":"","S00027742":"","S00027743":"10006","S00027744":"9129","S00027745":"","S00027746":"6739","S00027747":"8733","S00027748":"","S00027749":"","S00027750":""},{"Metabolite":"METHYL JASMONATE (M+NA)+","S00027740":"24254","S00027741":"42684","S00027742":"27957","S00027743":"33973","S00027744":"19609","S00027745":"24078","S00027746":"26027","S00027747":"28381","S00027748":"15861","S00027749":"24511","S00027750":"23747"},{"Metabolite":"N-ACETYL-D-TRYPTOPHAN (M+H)+","S00027740":"","S00027741":"","S00027742":"","S00027743":"3784","S00027744":"2037","S00027745":"2323","S00027746":"1191","S00027747":"","S00027748":"","S00027749":"","S00027750":""},{"Metabolite":"N-ACETYL-DL-METHIONINE (M+H)+","S00027740":"","S00027741":"","S00027742":"","S00027743":"","S00027744":"","S00027745":"4471","S00027746":"","S00027747":"","S00027748":"","S00027749":"","S00027750":"1783"},{"Metabolite":"N-ACETYL-DL-SERINE (M+H)+[-H2O]","S00027740":"172217","S00027741":"111889","S00027742":"146539","S00027743":"179055","S00027744":"141440","S00027745":"143074","S00027746":"141185","S00027747":"110114","S00027748":"154854","S00027749":"243298","S00027750":"233744"},{"Metabolite":"N-ACETYL-L-ALANINE (M+NA)+","S00027740":"","S00027741":"3080","S00027742":"11323","S00027743":"7822","S00027744":"","S00027745":"","S00027746":"5225","S00027747":"","S00027748":"","S00027749":"2649","S00027750":""},{"Metabolite":"N-ACETYL-L-LEUCINE (M+H)+","S00027740":"","S00027741":"","S00027742":"","S00027743":"","S00027744":"","S00027745":"","S00027746":"","S00027747":"","S00027748":"1308","S00027749":"","S00027750":"1418"},{"Metabolite":"N-ACETYL-L-PHENYLALANINE (M+NA)+","S00027740":"2783","S00027741":"","S00027742":"","S00027743":"","S00027744":"","S00027745":"1090","S00027746":"","S00027747":"","S00027748":"","S00027749":"","S00027750":""},{"Metabolite":"N-ACETYLGLYCINE (M+NA)+","S00027740":"2349","S00027741":"","S00027742":"13795","S00027743":"","S00027744":"1581","S00027745":"1935","S00027746":"5965","S00027747":"2951","S00027748":"3707","S00027749":"","S00027750":"3161"},{"Metabolite":"N-ACETYLNEURAMINIC ACID (M+H)+","S00027740":"5904","S00027741":"5377","S00027742":"4678","S00027743":"","S00027744":"4848","S00027745":"4457","S00027746":"5137","S00027747":"4576","S00027748":"4108","S00027749":"4385","S00027750":"4067"},{"Metabolite":"N-ACETYLSEROTONIN (M+NA)+","S00027740":"","S00027741":"","S00027742":"2002","S00027743":"","S00027744":"","S00027745":"","S00027746":"1625","S00027747":"","S00027748":"","S00027749":"","S00027750":"2194"},{"Metabolite":"N-CYCLOHEXYLFORMAMIDE (M+H)+","S00027740":"6569","S00027741":"6095","S00027742":"5525","S00027743":"8157","S00027744":"7382","S00027745":"5206","S00027746":"6431","S00027747":"7471","S00027748":"8340","S00027749":"10019","S00027750":"5959"},{"Metabolite":"N-CYCLOHEXYLFORMAMIDE (M+NA)+","S00027740":"","S00027741":"","S00027742":"2012","S00027743":"5052","S00027744":"3964","S00027745":"4654","S00027746":"4943","S00027747":"5276","S00027748":"5547","S00027749":"","S00027750":"4341"},{"Metabolite":"NAD (M+H)+","S00027740":"","S00027741":"3057","S00027742":"","S00027743":"","S00027744":"4653","S00027745":"","S00027746":"","S00027747":"2913","S00027748":"2572","S00027749":"3359","S00027750":"5918"},{"Metabolite":"NICOTINAMIDE (M+H)+","S00027740":"114757","S00027741":"116098","S00027742":"116991","S00027743":"29100","S00027744":"93241","S00027745":"89472","S00027746":"59969","S00027747":"69561","S00027748":"95628","S00027749":"50064","S00027750":"78516"},{"Metabolite":"NICOTINAMIDE MONONUCLEOTIDE (M+NA)+","S00027740":"","S00027741":"","S00027742":"1776","S00027743":"","S00027744":"","S00027745":"","S00027746":"","S00027747":"","S00027748":"","S00027749":"","S00027750":""},{"Metabolite":"NONANOIC ACID (M+NA)+","S00027740":"2402","S00027741":"","S00027742":"3415","S00027743":"4310","S00027744":"2726","S00027745":"4529","S00027746":"","S00027747":"4793","S00027748":"4912","S00027749":"2656","S00027750":""},{"Metabolite":"OCTANOYLCARNITINE (*) (M+H)+","S00027740":"393656","S00027741":"413358","S00027742":"904037","S00027743":"352079","S00027744":"304143","S00027745":"605644","S00027746":"859207","S00027747":"565697","S00027748":"401318","S00027749":"404869","S00027750":"740320"},{"Metabolite":"OCTENOYLCARNITINE (*) M+","S00027740":"571376","S00027741":"240729","S00027742":"149848","S00027743":"38233","S00027744":"82969","S00027745":"103238","S00027746":"404418","S00027747":"151085","S00027748":"102754","S00027749":"260031","S00027750":"179394"},{"Metabolite":"OLEAMIDE (M+H)+","S00027740":"391566","S00027741":"474165","S00027742":"480793","S00027743":"432250","S00027744":"419592","S00027745":"442978","S00027746":"471327","S00027747":"530112","S00027748":"405942","S00027749":"476546","S00027750":"351897"},{"Metabolite":"OLEAMIDE (M+NA)+","S00027740":"296148","S00027741":"406840","S00027742":"432653","S00027743":"363794","S00027744":"290577","S00027745":"","S00027746":"455877","S00027747":"356469","S00027748":"","S00027749":"321463","S00027750":"269461"},{"Metabolite":"OLEIC ACID (M+H)+","S00027740":"","S00027741":"20667","S00027742":"14009","S00027743":"10175","S00027744":"17658","S00027745":"28293","S00027746":"18475","S00027747":"23972","S00027748":"12974","S00027749":"11621","S00027750":"23788"},{"Metabolite":"OLEIC ACID (M+NA)+","S00027740":"124524","S00027741":"157025","S00027742":"169088","S00027743":"155480","S00027744":"119802","S00027745":"145779","S00027746":"155757","S00027747":"78191","S00027748":"","S00027749":"137491","S00027750":"118995"},{"Metabolite":"OLEOYL-GLYCEROL (M+NA)+","S00027740":"90101","S00027741":"101209","S00027742":"107889","S00027743":"93635","S00027744":"88826","S00027745":"60035","S00027746":"113581","S00027747":"81106","S00027748":"57264","S00027749":"75438","S00027750":"68182"},{"Metabolite":"OLEOYLCARNITINE (*) (M+H)+","S00027740":"454804","S00027741":"370922","S00027742":"397921","S00027743":"283993","S00027744":"741563","S00027745":"226440","S00027746":"407185","S00027747":"487797","S00027748":"384541","S00027749":"557015","S00027750":"655048"},{"Metabolite":"ORNITHINE (M+H)+","S00027740":"12023","S00027741":"7680","S00027742":"8324","S00027743":"10897","S00027744":"11890","S00027745":"14441","S00027746":"10677","S00027747":"13436","S00027748":"8044","S00027749":"15619","S00027750":"17265"},{"Metabolite":"PANTOTHENIC ACID (M+H)+","S00027740":"63805","S00027741":"36984","S00027742":"36021","S00027743":"28137","S00027744":"46385","S00027745":"27811","S00027746":"28118","S00027747":"38416","S00027748":"39169","S00027749":"28079","S00027750":"24820"},{"Metabolite":"PANTOTHENIC ACID (M+NA)+","S00027740":"33896","S00027741":"23138","S00027742":"18116","S00027743":"18267","S00027744":"25936","S00027745":"15844","S00027746":"","S00027747":"20251","S00027748":"19774","S00027749":"16149","S00027750":"14811"},{"Metabolite":"PHENYLALANINE (M+H)+","S00027740":"312328","S00027741":"316627","S00027742":"487752","S00027743":"288229","S00027744":"353643","S00027745":"285771","S00027746":"50012","S00027747":"356786","S00027748":"304612","S00027749":"418464","S00027750":"323329"},{"Metabolite":"PHENYLALANINE (M+NA)+","S00027740":"1559","S00027741":"2808","S00027742":"","S00027743":"1947","S00027744":"","S00027745":"2384","S00027746":"2671","S00027747":"","S00027748":"","S00027749":"3209","S00027750":""},{"Metabolite":"PIMELIC ACID (M+NA)+","S00027740":"","S00027741":"","S00027742":"","S00027743":"9691","S00027744":"4845","S00027745":"","S00027746":"2837","S00027747":"3517","S00027748":"5518","S00027749":"","S00027750":"4358"},{"Metabolite":"PIPECOLIC ACID (M+H)+","S00027740":"382262","S00027741":"364242","S00027742":"563862","S00027743":"312574","S00027744":"313821","S00027745":"","S00027746":"314841","S00027747":"218313","S00027748":"265978","S00027749":"265437","S00027750":"321940"},{"Metabolite":"PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+","S00027740":"19724","S00027741":"","S00027742":"","S00027743":"8370","S00027744":"18396","S00027745":"9217","S00027746":"13135","S00027747":"","S00027748":"","S00027749":"","S00027750":"10613"},{"Metabolite":"PROGESTERONE (M+NA)+","S00027740":"","S00027741":"","S00027742":"","S00027743":"","S00027744":"","S00027745":"","S00027746":"","S00027747":"","S00027748":"","S00027749":"3445","S00027750":""},{"Metabolite":"PROLINE (M+H)+","S00027740":"130518","S00027741":"191106","S00027742":"","S00027743":"171435","S00027744":"253039","S00027745":"","S00027746":"214620","S00027747":"275103","S00027748":"","S00027749":"63626","S00027750":"419876"},{"Metabolite":"PROPIONYLCARNITINE (*) (M+H)+","S00027740":"79961","S00027741":"375173","S00027742":"109918","S00027743":"217814","S00027744":"183668","S00027745":"269726","S00027746":"175060","S00027747":"156784","S00027748":"76499","S00027749":"194240","S00027750":"108615"},{"Metabolite":"PROSTAGLANDIN E2 (M+H)+","S00027740":"38580","S00027741":"","S00027742":"8315","S00027743":"29026","S00027744":"26157","S00027745":"","S00027746":"23628","S00027747":"36827","S00027748":"18763","S00027749":"","S00027750":"34226"},{"Metabolite":"RIBOFLAVIN (M+H)+","S00027740":"","S00027741":"10573","S00027742":"3937","S00027743":"2436","S00027744":"4087","S00027745":"","S00027746":"","S00027747":"3025","S00027748":"","S00027749":"2785","S00027750":"3438"},{"Metabolite":"SEBACIC ACID (M+NA)+","S00027740":"9501","S00027741":"","S00027742":"9998","S00027743":"13972","S00027744":"9345","S00027745":"","S00027746":"2930","S00027747":"33084","S00027748":"7312","S00027749":"","S00027750":"18565"},{"Metabolite":"SELENOMETHIONINE (M+H)+","S00027740":"8856","S00027741":"5225","S00027742":"7563","S00027743":"3506","S00027744":"1665","S00027745":"7875","S00027746":"4459","S00027747":"","S00027748":"6763","S00027749":"3873","S00027750":""},{"Metabolite":"SEROTONIN (M+H)+","S00027740":"288579","S00027741":"481317","S00027742":"477954","S00027743":"","S00027744":"337573","S00027745":"275206","S00027746":"161857","S00027747":"286513","S00027748":"577670","S00027749":"213256","S00027750":"379013"},{"Metabolite":"SEROTONIN (M+NA)+","S00027740":"3033","S00027741":"9879","S00027742":"12520","S00027743":"","S00027744":"8357","S00027745":"","S00027746":"7240","S00027747":"7019","S00027748":"","S00027749":"5322","S00027750":"9502"},{"Metabolite":"SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+","S00027740":"23900","S00027741":"67846","S00027742":"74359","S00027743":"29342","S00027744":"19601","S00027745":"","S00027746":"57028","S00027747":"66724","S00027748":"92799","S00027749":"49709","S00027750":"66939"},{"Metabolite":"SPERMIDINE (M+H)+","S00027740":"10368","S00027741":"42951","S00027742":"13093","S00027743":"20571","S00027744":"44098","S00027745":"6559","S00027746":"18323","S00027747":"15952","S00027748":"22870","S00027749":"34742","S00027750":"36623"},{"Metabolite":"SPERMINE (M+H)+","S00027740":"20596","S00027741":"13912","S00027742":"6031","S00027743":"9349","S00027744":"11935","S00027745":"10383","S00027746":"16885","S00027747":"7958","S00027748":"19770","S00027749":"4337","S00027750":"6552"},{"Metabolite":"SPHINGANINE (M+H)+","S00027740":"","S00027741":"2318","S00027742":"","S00027743":"","S00027744":"","S00027745":"","S00027746":"","S00027747":"","S00027748":"","S00027749":"","S00027750":""},{"Metabolite":"STEAROYLCARNITINE (*) (M+H)+","S00027740":"90511","S00027741":"136819","S00027742":"113043","S00027743":"58748","S00027744":"196174","S00027745":"59920","S00027746":"121238","S00027747":"150980","S00027748":"68837","S00027749":"79795","S00027750":"102417"},{"Metabolite":"SUBERIC ACID (M+H)+[-H2O]","S00027740":"6439","S00027741":"6596","S00027742":"6048","S00027743":"15366","S00027744":"8156","S00027745":"5520","S00027746":"","S00027747":"8925","S00027748":"7626","S00027749":"3973","S00027750":"6652"},{"Metabolite":"SUBERIC ACID (M+NA)+","S00027740":"12945","S00027741":"12191","S00027742":"12418","S00027743":"37371","S00027744":"18783","S00027745":"10810","S00027746":"15363","S00027747":"19616","S00027748":"19856","S00027749":"8427","S00027750":"17599"},{"Metabolite":"TAUROCHENODEOXYCHOLIC ACID (M+NA)+","S00027740":"","S00027741":"16339","S00027742":"","S00027743":"21990","S00027744":"","S00027745":"12305","S00027746":"","S00027747":"25832","S00027748":"","S00027749":"","S00027750":"4239"},{"Metabolite":"TAUROLITHOCHOLIC ACID (M+H)+[-H2O]","S00027740":"","S00027741":"","S00027742":"","S00027743":"","S00027744":"3781","S00027745":"","S00027746":"","S00027747":"4420","S00027748":"2454","S00027749":"","S00027750":"4281"},{"Metabolite":"TETRADECENOYLCARNITINE (*) M+","S00027740":"40140","S00027741":"12679","S00027742":"40465","S00027743":"7363","S00027744":"33067","S00027745":"26625","S00027746":"45888","S00027747":"23123","S00027748":"19354","S00027749":"38546","S00027750":"77437"},{"Metabolite":"THEOBROMINE (M+H)+","S00027740":"311430","S00027741":"3359","S00027742":"9873","S00027743":"230718","S00027744":"151069","S00027745":"468112","S00027746":"219548","S00027747":"397584","S00027748":"1138722","S00027749":"122631","S00027750":"137307"},{"Metabolite":"THEOPHYLLINE (M+H)+","S00027740":"101802","S00027741":"","S00027742":"","S00027743":"17112","S00027744":"","S00027745":"4385","S00027746":"","S00027747":"","S00027748":"","S00027749":"","S00027750":""},{"Metabolite":"THEOPHYLLINE (M+NA)+","S00027740":"69058","S00027741":"","S00027742":"","S00027743":"10812","S00027744":"5011","S00027745":"5068","S00027746":"3096","S00027747":"","S00027748":"","S00027749":"","S00027750":""},{"Metabolite":"THREONINE (M+H)+[-H2O]","S00027740":"42326","S00027741":"","S00027742":"48655","S00027743":"51813","S00027744":"55655","S00027745":"56144","S00027746":"42072","S00027747":"49494","S00027748":"38196","S00027749":"55093","S00027750":"44898"},{"Metabolite":"THYROXINE (M+H)+","S00027740":"42902","S00027741":"25873","S00027742":"68223","S00027743":"52090","S00027744":"67057","S00027745":"88997","S00027746":"57510","S00027747":"72917","S00027748":"95278","S00027749":"77148","S00027750":"72700"},{"Metabolite":"TRANS-4-HYDROXYPROLINE (M+H)+","S00027740":"74373","S00027741":"108577","S00027742":"139466","S00027743":"","S00027744":"102812","S00027745":"","S00027746":"","S00027747":"94027","S00027748":"32053","S00027749":"83511","S00027750":"182534"},{"Metabolite":"TRYPTOPHAN (M+H)+","S00027740":"11800000","S00027741":"17000000","S00027742":"16200000","S00027743":"16900000","S00027744":"15000000","S00027745":"13800000","S00027746":"14300000","S00027747":"17300000","S00027748":"13900000","S00027749":"13300000","S00027750":"14000000"},{"Metabolite":"TRYPTOPHAN (M+NA)+","S00027740":"487580","S00027741":"620225","S00027742":"589686","S00027743":"616614","S00027744":"571706","S00027745":"547069","S00027746":"561010","S00027747":"642661","S00027748":"564292","S00027749":"517487","S00027750":"534683"},{"Metabolite":"TYROSINE (M+H)+","S00027740":"5558614","S00027741":"5232305","S00027742":"6373250","S00027743":"5957423","S00027744":"5036405","S00027745":"7773492","S00027746":"6427385","S00027747":"9124538","S00027748":"5013136","S00027749":"6188070","S00027750":"5521586"},{"Metabolite":"TYROSINE (M+NA)+","S00027740":"189289","S00027741":"213838","S00027742":"213350","S00027743":"137937","S00027744":"124357","S00027745":"220569","S00027746":"132017","S00027747":"268909","S00027748":"109593","S00027749":"190868","S00027750":"177195"},{"Metabolite":"URIC ACID (M+H)+","S00027740":"2109688","S00027741":"1319005","S00027742":"1842521","S00027743":"1616267","S00027744":"1670252","S00027745":"1865767","S00027746":"1967550","S00027747":"1208047","S00027748":"1978481","S00027749":"1704671","S00027750":"1672124"},{"Metabolite":"URIC ACID (M+NA)+","S00027740":"58135","S00027741":"96580","S00027742":"53222","S00027743":"62842","S00027744":"41016","S00027745":"112824","S00027746":"53205","S00027747":"36119","S00027748":"96893","S00027749":"43565","S00027750":"37922"},{"Metabolite":"URIDINE (M+H)+","S00027740":"22360","S00027741":"30504","S00027742":"25497","S00027743":"10765","S00027744":"28864","S00027745":"14556","S00027746":"29118","S00027747":"22401","S00027748":"30889","S00027749":"16984","S00027750":"19510"},{"Metabolite":"URIDINE (M+NA)+","S00027740":"36989","S00027741":"54107","S00027742":"41716","S00027743":"19569","S00027744":"59357","S00027745":"32651","S00027746":"29887","S00027747":"42704","S00027748":"23054","S00027749":"34053","S00027750":"36599"},{"Metabolite":"UROCANIC ACID (M+H)+","S00027740":"","S00027741":"11172","S00027742":"6880","S00027743":"9321","S00027744":"17949","S00027745":"","S00027746":"8652","S00027747":"","S00027748":"","S00027749":"7325","S00027750":""},{"Metabolite":"URSODIOL (M+NA)+","S00027740":"225584","S00027741":"129218","S00027742":"88381","S00027743":"143865","S00027744":"30105","S00027745":"112475","S00027746":"106446","S00027747":"","S00027748":"","S00027749":"214190","S00027750":"284548"},{"Metabolite":"VALINE (M+H)+","S00027740":"3535714","S00027741":"4898283","S00027742":"4382326","S00027743":"3907578","S00027744":"4004430","S00027745":"6039374","S00027746":"3782121","S00027747":"4640836","S00027748":"4001149","S00027749":"2967089","S00027750":"3112013"},{"Metabolite":"VALINE (M+NA)+","S00027740":"","S00027741":"5347","S00027742":"","S00027743":"","S00027744":"5112","S00027745":"7817","S00027746":"5418","S00027747":"13451","S00027748":"","S00027749":"","S00027750":"6303"},{"Metabolite":"XANTHURENIC ACID (M+H)+","S00027740":"4143","S00027741":"3988","S00027742":"2345","S00027743":"10659","S00027744":"","S00027745":"","S00027746":"","S00027747":"4644","S00027748":"","S00027749":"","S00027750":""},{"Metabolite":"ZEATIN [ISTD] (M+H)+","S00027740":"842774","S00027741":"893121","S00027742":"844919","S00027743":"883374","S00027744":"866146","S00027745":"845519","S00027746":"809101","S00027747":"856694","S00027748":"858389","S00027749":"838074","S00027750":"785939"}],

"Metabolites":[{"Metabolite":"1-METHYLADENOSINE (M+H)+","moverz_quant":"281.1126","ri":"2.987","ri_type":"","pubchem_id":"27476","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"1-METHYLXANTHINE (M+H)+","moverz_quant":"166.0482","ri":"2.478","ri_type":"","pubchem_id":"80220","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"1-METHYLXANTHINE (M+NA)+","moverz_quant":"166.0479","ri":"2.472","ri_type":"","pubchem_id":"80220","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"16:0 LYSO PC (M+H)+","moverz_quant":"495.3333","ri":"22.255","ri_type":"","pubchem_id":"460602","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"16:0 LYSO PC (M+NA)+","moverz_quant":"495.333","ri":"22.246","ri_type":"","pubchem_id":"460602","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"16:0-18:0 PC (M+H)+","moverz_quant":"761.5917","ri":"25.434","ri_type":"","pubchem_id":"18631368","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"18:0 LYSO-PE (M+H)+","moverz_quant":"481.3152","ri":"22.651","ri_type":"","pubchem_id":"9547068","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"18:0 LYSO-PE (M+NA)+","moverz_quant":"481.3261","ri":"22.649","ri_type":"","pubchem_id":"9547068","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+H)+","moverz_quant":"141.0195","ri":"0.609","ri_type":"","pubchem_id":"1015","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+NA)+","moverz_quant":"141.0193","ri":"0.612","ri_type":"","pubchem_id":"1015","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2-DEOXY-D-GLUCOSE (M+NA)+","moverz_quant":"164.0682","ri":"0.677","ri_type":"","pubchem_id":"439268","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M+H)+","moverz_quant":"150.0323","ri":"3.459","ri_type":"","pubchem_id":"11427","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"20:0 LYSO PC (M+H)+","moverz_quant":"551.3959","ri":"22.952","ri_type":"","pubchem_id":"24779473","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"24:0 SM (D18:1/24:0) (M+H)+","moverz_quant":"814.6923","ri":"27.791","ri_type":"","pubchem_id":"44260127","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"24:0 SM (D18:1/24:0) (M+NA)+","moverz_quant":"814.6927","ri":"27.785","ri_type":"","pubchem_id":"44260127","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"25-HYDROXYCHOLESTEROL (M+H)+[-H2O]","moverz_quant":"402.3421","ri":"22.76","ri_type":"","pubchem_id":"65094","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-AMINO-4-HYDROXYBENZOIC ACID (M+H)+","moverz_quant":"153.0399","ri":"1.173","ri_type":"","pubchem_id":"65083","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-DEHYDROSHIKIMIC ACID (M+H)+[-H2O]","moverz_quant":"172.0353","ri":"0.948","ri_type":"","pubchem_id":"439774","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-HYDROXYANTHRANILIC ACID (M+H)+","moverz_quant":"153.0429","ri":"2.885","ri_type":"","pubchem_id":"86","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]","moverz_quant":"122.0366","ri":"4.783","ri_type":"","pubchem_id":"101","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-METHOXYTYROSINE (M+H)+","moverz_quant":"211.0837","ri":"1.975","ri_type":"","pubchem_id":"9307","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"3-METHYLXANTHINE (M+H)+","moverz_quant":"166.0522","ri":"2.478","ri_type":"","pubchem_id":"70639","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-HYDROXY-3-METHOXYPHENYLGLYCOL (M+H)+[-H2O]","moverz_quant":"184.0743","ri":"2.54","ri_type":"","pubchem_id":"688030","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-PYRIDOXIC ACID (M+NA)+","moverz_quant":"183.0497","ri":"1.835","ri_type":"","pubchem_id":"6723","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"4-QUINOLINECARBOXYLIC ACID #2 (M+H)+","moverz_quant":"173.0469","ri":"4.942","ri_type":"","pubchem_id":"10243","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5'-METHYLTHIOADENOSINE (M+H)+","moverz_quant":"297.0903","ri":"4.469","ri_type":"","pubchem_id":"439176","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5-AMINOPENTANOIC ACID (M+H)+","moverz_quant":"117.0781","ri":"0.727","ri_type":"","pubchem_id":"138","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5-HYDROXYTRYPTOPHAN (M+H)+","moverz_quant":"220.084","ri":"1.742","ri_type":"","pubchem_id":"439280","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"5-OXOPROLINE (M+H)+","moverz_quant":"129.0439","ri":"1.164","ri_type":"","pubchem_id":"7405","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ACETYLCARNITINE (M+H)+","moverz_quant":"203.1153","ri":"0.904","ri_type":"","pubchem_id":"18230","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ADENOSINE (M+H)+","moverz_quant":"267.0967","ri":"1.747","ri_type":"","pubchem_id":"60961","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ADENOSINE 5'-MONOPHOSPHATE (M+H)+","moverz_quant":"347.0626","ri":"0.913","ri_type":"","pubchem_id":"6083","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ADIPIC ACID (M+NA)+","moverz_quant":"146.0564","ri":"3.465","ri_type":"","pubchem_id":"196","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ALANINE (M+H)+","moverz_quant":"89.0475","ri":"1.213","ri_type":"","pubchem_id":"5950","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ALLANTOIN (M+H)+","moverz_quant":"158.0458","ri":"0.619","ri_type":"","pubchem_id":"439714","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ALPHA-D-GALACTOSE 1-PHOSPHATE (M+NA)+","moverz_quant":"260.0292","ri":"0.494","ri_type":"","pubchem_id":"123912","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ALPHA-TOCOPHEROL (M+H)+","moverz_quant":"430.3806","ri":"24.512","ri_type":"","pubchem_id":"14985","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ASPARAGINE (M+H)+","moverz_quant":"132.0514","ri":"0.643","ri_type":"","pubchem_id":"6267","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ASPARTIC ACID (M+NA)+","moverz_quant":"133.0358","ri":"0.619","ri_type":"","pubchem_id":"5960","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"AZELAIC ACID (M+H)+","moverz_quant":"188.1036","ri":"10.781","ri_type":"","pubchem_id":"2266","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"AZELAIC ACID (M+H)+[-H2O]","moverz_quant":"188.1043","ri":"10.769","ri_type":"","pubchem_id":"2266","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"AZELAIC ACID (M+NA)+","moverz_quant":"188.1059","ri":"10.769","ri_type":"","pubchem_id":"2266","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+H)+","moverz_quant":"240.1248","ri":"0.666","ri_type":"","pubchem_id":"112072","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+NA)+","moverz_quant":"240.122","ri":"0.668","ri_type":"","pubchem_id":"112072","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BILIVERDIN (M+H)+","moverz_quant":"582.248","ri":"18.691","ri_type":"","pubchem_id":"5280353","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BILIVERDIN (M+NA)+","moverz_quant":"582.2521","ri":"18.697","ri_type":"","pubchem_id":"5280353","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+","moverz_quant":"390.2788","ri":"23.079","ri_type":"","pubchem_id":"8343","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+","moverz_quant":"390.2776","ri":"23.077","ri_type":"","pubchem_id":"8343","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BUTYRYLCARNITINE (*) (M+H)+","moverz_quant":"231.147","ri":"2.895","ri_type":"","pubchem_id":"213144","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CAFFEINE (M+H)+","moverz_quant":"194.0824","ri":"5.879","ri_type":"","pubchem_id":"2519","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CALCIDIOL (M+H)+[-H2O]","moverz_quant":"400.3317","ri":"22.552","ri_type":"","pubchem_id":"5283731","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CALCIDIOL (M+NA)+","moverz_quant":"400.3271","ri":"22.585","ri_type":"","pubchem_id":"5283731","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CARNITINE (M+H)+","moverz_quant":"161.1042","ri":"0.618","ri_type":"","pubchem_id":"10917","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CARNOSINE (M+NA)+","moverz_quant":"226.1059","ri":"0.656","ri_type":"","pubchem_id":"439224","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CHOLESTEROL (M+H)+[-H2O]","moverz_quant":"386.3558","ri":"24.557","ri_type":"","pubchem_id":"5997","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CHOLESTEROL HYDROGEN SULFATE M+[-HSO4]","moverz_quant":"466.3108","ri":"23.852","ri_type":"","pubchem_id":"65076","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CHOLINE PHOSPHATE (M+H)+","moverz_quant":"183.0648","ri":"0.624","ri_type":"","pubchem_id":"1014","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CITRIC ACID (M+NA)+","moverz_quant":"192.0269","ri":"1.003","ri_type":"","pubchem_id":"311","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CORTICOSTERONE (M+H)+","moverz_quant":"346.2136","ri":"15.456","ri_type":"","pubchem_id":"5753","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CORTICOSTERONE (M+NA)+","moverz_quant":"346.2159","ri":"15.461","ri_type":"","pubchem_id":"5753","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CORTISOL (M+H)+","moverz_quant":"362.2104","ri":"13.879","ri_type":"","pubchem_id":"5754","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CORTISOL (M+NA)+","moverz_quant":"362.2105","ri":"13.879","ri_type":"","pubchem_id":"5754","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CORTISONE (M+H)+","moverz_quant":"360.1946","ri":"13.448","ri_type":"","pubchem_id":"222786","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CORTISONE (M+NA)+","moverz_quant":"360.1958","ri":"13.446","ri_type":"","pubchem_id":"222786","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CREATINE (M+H)+","moverz_quant":"131.0669","ri":"0.691","ri_type":"","pubchem_id":"586","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CREATININE (M+H)+","moverz_quant":"113.0577","ri":"0.693","ri_type":"","pubchem_id":"588","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CYSTATHIONINE (M+H)+","moverz_quant":"222.0635","ri":"0.626","ri_type":"","pubchem_id":"439258","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CYSTEIC ACID (M+H)+","moverz_quant":"187.0159","ri":"0.634","ri_type":"","pubchem_id":"72886","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CYSTINE (M+NA)+","moverz_quant":"240.0216","ri":"0.599","ri_type":"","pubchem_id":"6857538","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CYTIDINE 5'-DIPHOSPHOCHOLINE (M+K)+","moverz_quant":"488.1039","ri":"0.661","ri_type":"","pubchem_id":"13804","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CYTIDINE 5'-DIPHOSPHOCHOLINE (M+NA)+","moverz_quant":"488.1146","ri":"0.681","ri_type":"","pubchem_id":"13804","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CYTOSINE (M+NA)+","moverz_quant":"111.0446","ri":"0.701","ri_type":"","pubchem_id":"597","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DECENOYLCARNITINE (*) (M+H)+","moverz_quant":"313.2259","ri":"13.865","ri_type":"","pubchem_id":"57357170","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DEOXYCHOLIC ACID (2M+NA)+","moverz_quant":"392.2913","ri":"21.621","ri_type":"","pubchem_id":"222528","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DEOXYCHOLIC ACID (M+H)+[-H2O]","moverz_quant":"392.288","ri":"21.622","ri_type":"","pubchem_id":"222528","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DEOXYCHOLIC ACID (M+NA)+","moverz_quant":"392.2907","ri":"21.625","ri_type":"","pubchem_id":"222528","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DESMOSTEROL (M+H)+[-H2O]","moverz_quant":"384.3391","ri":"24.223","ri_type":"","pubchem_id":"439577","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DIETHYLSTILBESTROL (M+NA)+","moverz_quant":"268.1416","ri":"18.873","ri_type":"","pubchem_id":"448537","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DIPALMITOYL-GLYCEROL (M+NA)+","moverz_quant":"568.5068","ri":"26.283","ri_type":"","pubchem_id":"644078","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DODECENOYLCARNITINE (*) II M+","moverz_quant":"342.2648","ri":"16.714","ri_type":"","pubchem_id":"53481671","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"DUMP (M+H)+","moverz_quant":"308.0438","ri":"0.946","ri_type":"","pubchem_id":"65063","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"EICOSADIENOYLCARNITINE (*) (M+H)+","moverz_quant":"451.3615","ri":"21.684","ri_type":"","pubchem_id":"71464509","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"EICOSANOYLCARNITINE (*) (M+H)+","moverz_quant":"455.3947","ri":"22.121","ri_type":"","pubchem_id":"53477833","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"EICOSENOYLCARNITINE (*) (M+H)+","moverz_quant":"453.3757","ri":"21.904","ri_type":"","pubchem_id":"71464507","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ELAIDIC ACID (M+H)+","moverz_quant":"282.2591","ri":"22.908","ri_type":"","pubchem_id":"637517","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"EPIBRASSINOLIDE [ISTD] (M+H)+","moverz_quant":"480.3463","ri":"19.893","ri_type":"","pubchem_id":"115196","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"EPIBRASSINOLIDE [ISTD] (M+NA)+","moverz_quant":"480.3462","ri":"19.892","ri_type":"","pubchem_id":"115196","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ESTRONE (M+H)+","moverz_quant":"270.1606","ri":"16.355","ri_type":"","pubchem_id":"5870","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GAMMA-LINOLENIC ACID (M+NA)+","moverz_quant":"278.2221","ri":"22.83","ri_type":"","pubchem_id":"5280933","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GENTISURIC ACID (M+H)+","moverz_quant":"211.046","ri":"4.29","ri_type":"","pubchem_id":"161488","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUCOSAMINIC ACID (M+NA)+","moverz_quant":"195.0765","ri":"0.658","ri_type":"","pubchem_id":"73563","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUCOSE (M+NA)+","moverz_quant":"180.0621","ri":"0.682","ri_type":"","pubchem_id":"5793","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUTATHIONE OXIDIZED (M+H)+","moverz_quant":"612.1453","ri":"1.323","ri_type":"","pubchem_id":"65359","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLUTATHIONE OXIDIZED (M+H2)+2","moverz_quant":"612.158","ri":"1.341","ri_type":"","pubchem_id":"65359","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCEROL MYRISTATE (M+H)+[-H2O]","moverz_quant":"302.2417","ri":"22.062","ri_type":"","pubchem_id":"79050","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOCHENODEOXYCHOLIC ACID (M+H)+","moverz_quant":"449.3119","ri":"20.365","ri_type":"","pubchem_id":"9548796","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O]","moverz_quant":"449.3149","ri":"20.363","ri_type":"","pubchem_id":"9548796","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOCHENODEOXYCHOLIC ACID (M+NA)+","moverz_quant":"449.3146","ri":"20.366","ri_type":"","pubchem_id":"9548796","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOCHOLIC ACID (M+H)+","moverz_quant":"465.3098","ri":"18.974","ri_type":"","pubchem_id":"10140","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOCHOLIC ACID (M+H)+[-H2O]","moverz_quant":"465.3098","ri":"18.857","ri_type":"","pubchem_id":"10140","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCOCHOLIC ACID (M+NA)+","moverz_quant":"465.309","ri":"18.97","ri_type":"","pubchem_id":"10140","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GUANINE (M+H)+","moverz_quant":"151.0471","ri":"0.826","ri_type":"","pubchem_id":"764","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GUANOSINE (M+H)+","moverz_quant":"283.0916","ri":"1.793","ri_type":"","pubchem_id":"6802","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HEXANOYLCARNITINE (*) M+","moverz_quant":"260.187","ri":"7.029","ri_type":"","pubchem_id":"3246939","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HIPPURIC ACID (M+H)+","moverz_quant":"179.0589","ri":"4.783","ri_type":"","pubchem_id":"464","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HIPPURIC ACID (M+NA)+","moverz_quant":"179.0586","ri":"4.784","ri_type":"","pubchem_id":"464","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HISTAMINE (M+NA)+","moverz_quant":"111.078","ri":"0.662","ri_type":"","pubchem_id":"774","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HOMOGENTISIC ACID (M+H)+","moverz_quant":"168.0398","ri":"2.064","ri_type":"","pubchem_id":"780","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HOMOSERINE (M+NA)+","moverz_quant":"119.0568","ri":"0.602","ri_type":"","pubchem_id":"12647","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HYODEOXYCHOLIC ACID (M+NA)+","moverz_quant":"392.29","ri":"20.199","ri_type":"","pubchem_id":"5283820","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HYPOXANTHINE (M+H)+","moverz_quant":"136.0388","ri":"1.061","ri_type":"","pubchem_id":"790","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"HYPOXANTHINE (M+NA)+","moverz_quant":"136.0379","ri":"1.047","ri_type":"","pubchem_id":"790","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"INDOLE-3-ACETALDEHYDE (M+H)+","moverz_quant":"159.0689","ri":"1.754","ri_type":"","pubchem_id":"800","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"INDOLE-3-ACETIC ACID (M+H)+","moverz_quant":"175.0637","ri":"8.41","ri_type":"","pubchem_id":"802","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"INDOLE-3-ACETIC ACID (M+NA)+","moverz_quant":"175.0634","ri":"8.407","ri_type":"","pubchem_id":"802","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"INOSINE 5'-PHOSPHATE (M+H)+","moverz_quant":"348.0469","ri":"0.951","ri_type":"","pubchem_id":"8582","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ISO-BUTYRYLCARNITINE (*) (M+H)+","moverz_quant":"231.147","ri":"2.79","ri_type":"","pubchem_id":"168379","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ISOLEUCINE (M+H)+","moverz_quant":"131.0947","ri":"1.481","ri_type":"","pubchem_id":"6306","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ISOLEUCINE (M+NA)+","moverz_quant":"131.0934","ri":"1.494","ri_type":"","pubchem_id":"6306","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ISOVALERYLCARNITINE (*) (M+H)+","moverz_quant":"245.1631","ri":"4.561","ri_type":"","pubchem_id":"169235","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"KYNURENIC ACID (M+H)+","moverz_quant":"189.043","ri":"4.894","ri_type":"","pubchem_id":"3845","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"KYNURENINE (M+H)+","moverz_quant":"208.0845","ri":"2.162","ri_type":"","pubchem_id":"161166","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"KYNURENINE (M+NA)+","moverz_quant":"208.0816","ri":"2.155","ri_type":"","pubchem_id":"161166","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-ARGININE (M+H)+","moverz_quant":"174.1106","ri":"0.6","ri_type":"","pubchem_id":"6322","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-ARGININE (M+NA)+","moverz_quant":"174.111","ri":"0.59","ri_type":"","pubchem_id":"6322","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-HISTIDINE (M+H)+","moverz_quant":"155.0691","ri":"0.574","ri_type":"","pubchem_id":"6274","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-HISTIDINOL (M+H)+","moverz_quant":"141.0899","ri":"0.452","ri_type":"","pubchem_id":"165271","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"L-TRYPTOPHAN-15N2 [ISTD] (M+H)+","moverz_quant":"206.0849","ri":"3.575","ri_type":"","pubchem_id":"16217285","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LAUROYLCARNITINE (M+H)+","moverz_quant":"343.2728","ri":"17.683","ri_type":"","pubchem_id":"168381","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LITHOCHOLIC ACID (M+NA)+","moverz_quant":"376.3003","ri":"22.31","ri_type":"","pubchem_id":"9903","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LYSINE (M+H)+","moverz_quant":"146.1056","ri":"0.517","ri_type":"","pubchem_id":"5962","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"LYSINE (M+NA)+","moverz_quant":"146.1044","ri":"0.548","ri_type":"","pubchem_id":"5962","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"M-HYDROXYMANDELIC ACID (M+H)+[-H2O]","moverz_quant":"168.0406","ri":"2.129","ri_type":"","pubchem_id":"86957","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"METHIONINE (M+H)+","moverz_quant":"149.0509","ri":"0.959","ri_type":"","pubchem_id":"6137","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"METHYL BETA-D-GALACTOSIDE (M+NA)+","moverz_quant":"194.08","ri":"0.661","ri_type":"","pubchem_id":"94214","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"METHYL INDOLE-3-ACETATE (M+H)+","moverz_quant":"189.0789","ri":"11.681","ri_type":"","pubchem_id":"74706","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"METHYL JASMONATE (M+NA)+","moverz_quant":"224.1404","ri":"15.978","ri_type":"","pubchem_id":"5281929","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-D-TRYPTOPHAN (M+H)+","moverz_quant":"246.101","ri":"7.97","ri_type":"","pubchem_id":"439917","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-DL-METHIONINE (M+H)+","moverz_quant":"191.0619","ri":"4.029","ri_type":"","pubchem_id":"448580","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-DL-SERINE (M+H)+[-H2O]","moverz_quant":"147.0528","ri":"0.854","ri_type":"","pubchem_id":"65249","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-L-ALANINE (M+NA)+","moverz_quant":"131.0572","ri":"1.434","ri_type":"","pubchem_id":"88064","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-L-LEUCINE (M+H)+","moverz_quant":"173.1051","ri":"7.162","ri_type":"","pubchem_id":"75619","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYL-L-PHENYLALANINE (M+NA)+","moverz_quant":"207.0888","ri":"7.708","ri_type":"","pubchem_id":"74839","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYLGLYCINE (M+NA)+","moverz_quant":"117.0414","ri":"0.905","ri_type":"","pubchem_id":"1097","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYLNEURAMINIC ACID (M+H)+","moverz_quant":"309.102","ri":"0.705","ri_type":"","pubchem_id":"444885","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-ACETYLSEROTONIN (M+NA)+","moverz_quant":"218.1057","ri":"4.941","ri_type":"","pubchem_id":"903","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-CYCLOHEXYLFORMAMIDE (M+H)+","moverz_quant":"127.0993","ri":"7.894","ri_type":"","pubchem_id":"13017","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"N-CYCLOHEXYLFORMAMIDE (M+NA)+","moverz_quant":"127.099","ri":"7.901","ri_type":"","pubchem_id":"13017","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NAD (M+H)+","moverz_quant":"663.1021","ri":"0.966","ri_type":"","pubchem_id":"5893","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NICOTINAMIDE (M+H)+","moverz_quant":"122.047","ri":"1.069","ri_type":"","pubchem_id":"936","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NICOTINAMIDE MONONUCLEOTIDE (M+NA)+","moverz_quant":"334.0532","ri":"0.945","ri_type":"","pubchem_id":"14180","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NONANOIC ACID (M+NA)+","moverz_quant":"158.1316","ri":"13.181","ri_type":"","pubchem_id":"8158","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OCTANOYLCARNITINE (*) (M+H)+","moverz_quant":"287.2108","ri":"11.729","ri_type":"","pubchem_id":"123701","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OCTENOYLCARNITINE (*) M+","moverz_quant":"286.2028","ri":"9.503","ri_type":"","pubchem_id":"71464472","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OLEAMIDE (M+H)+","moverz_quant":"281.2713","ri":"22.6","ri_type":"","pubchem_id":"5283387","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OLEAMIDE (M+NA)+","moverz_quant":"281.2716","ri":"22.6","ri_type":"","pubchem_id":"5283387","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OLEIC ACID (M+H)+","moverz_quant":"282.2563","ri":"22.511","ri_type":"","pubchem_id":"445639","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OLEIC ACID (M+NA)+","moverz_quant":"282.2546","ri":"22.531","ri_type":"","pubchem_id":"445639","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OLEOYL-GLYCEROL (M+NA)+","moverz_quant":"356.293","ri":"22.697","ri_type":"","pubchem_id":"5319879","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"OLEOYLCARNITINE (*) (M+H)+","moverz_quant":"425.3512","ri":"21.508","ri_type":"","pubchem_id":"6441392","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ORNITHINE (M+H)+","moverz_quant":"132.0901","ri":"0.517","ri_type":"","pubchem_id":"6262","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PANTOTHENIC ACID (M+H)+","moverz_quant":"219.1116","ri":"3.271","ri_type":"","pubchem_id":"6613","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PANTOTHENIC ACID (M+NA)+","moverz_quant":"219.1117","ri":"3.272","ri_type":"","pubchem_id":"6613","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PHENYLALANINE (M+H)+","moverz_quant":"165.0779","ri":"2.54","ri_type":"","pubchem_id":"6140","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PHENYLALANINE (M+NA)+","moverz_quant":"165.0766","ri":"2.566","ri_type":"","pubchem_id":"6140","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PIMELIC ACID (M+NA)+","moverz_quant":"160.0738","ri":"5.713","ri_type":"","pubchem_id":"385","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PIPECOLIC ACID (M+H)+","moverz_quant":"129.0765","ri":"0.929","ri_type":"","pubchem_id":"849","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+","moverz_quant":"162.1013","ri":"0.673","ri_type":"","pubchem_id":"83228","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PROGESTERONE (M+NA)+","moverz_quant":"314.2276","ri":"19.716","ri_type":"","pubchem_id":"5994","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PROLINE (M+H)+","moverz_quant":"115.0617","ri":"0.692","ri_type":"","pubchem_id":"145742","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PROPIONYLCARNITINE (*) (M+H)+","moverz_quant":"217.1315","ri":"1.607","ri_type":"","pubchem_id":"107738","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PROSTAGLANDIN E2 (M+H)+","moverz_quant":"352.2226","ri":"16.81","ri_type":"","pubchem_id":"5280360","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"RIBOFLAVIN (M+H)+","moverz_quant":"376.14","ri":"7.616","ri_type":"","pubchem_id":"493570","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SEBACIC ACID (M+NA)+","moverz_quant":"202.1237","ri":"13.005","ri_type":"","pubchem_id":"5192","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SELENOMETHIONINE (M+H)+","moverz_quant":"196.9967","ri":"1.264","ri_type":"","pubchem_id":"105024","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SEROTONIN (M+H)+","moverz_quant":"176.0956","ri":"1.755","ri_type":"","pubchem_id":"5202","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SEROTONIN (M+NA)+","moverz_quant":"176.0941","ri":"1.656","ri_type":"","pubchem_id":"5202","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+","moverz_quant":"257.1019","ri":"0.686","ri_type":"","pubchem_id":"439285","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SPERMIDINE (M+H)+","moverz_quant":"145.1579","ri":"0.494","ri_type":"","pubchem_id":"1102","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SPERMINE (M+H)+","moverz_quant":"202.2162","ri":"0.494","ri_type":"","pubchem_id":"1103","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SPHINGANINE (M+H)+","moverz_quant":"301.2956","ri":"20.759","ri_type":"","pubchem_id":"644260","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"STEAROYLCARNITINE (*) (M+H)+","moverz_quant":"427.3658","ri":"21.828","ri_type":"","pubchem_id":"52922056","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SUBERIC ACID (M+H)+[-H2O]","moverz_quant":"174.0888","ri":"8.274","ri_type":"","pubchem_id":"10457","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SUBERIC ACID (M+NA)+","moverz_quant":"174.0907","ri":"8.273","ri_type":"","pubchem_id":"10457","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TAUROCHENODEOXYCHOLIC ACID (M+NA)+","moverz_quant":"499.2981","ri":"20.109","ri_type":"","pubchem_id":"387316","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TAUROLITHOCHOLIC ACID (M+H)+[-H2O]","moverz_quant":"483.2929","ri":"21.764","ri_type":"","pubchem_id":"439763","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TETRADECENOYLCARNITINE (*) M+","moverz_quant":"370.2958","ri":"18.807","ri_type":"","pubchem_id":"22833575","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THEOBROMINE (M+H)+","moverz_quant":"180.0651","ri":"3.458","ri_type":"","pubchem_id":"5429","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THEOPHYLLINE (M+H)+","moverz_quant":"180.0657","ri":"4.395","ri_type":"","pubchem_id":"2153","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THEOPHYLLINE (M+NA)+","moverz_quant":"180.0652","ri":"4.416","ri_type":"","pubchem_id":"2153","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THREONINE (M+H)+[-H2O]","moverz_quant":"119.0577","ri":"0.952","ri_type":"","pubchem_id":"6288","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THYROXINE (M+H)+","moverz_quant":"776.6867","ri":"16.259","ri_type":"","pubchem_id":"5819","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TRANS-4-HYDROXYPROLINE (M+H)+","moverz_quant":"131.0577","ri":"0.661","ri_type":"","pubchem_id":"5810","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TRYPTOPHAN (M+H)+","moverz_quant":"204.0877","ri":"3.575","ri_type":"","pubchem_id":"6305","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TRYPTOPHAN (M+NA)+","moverz_quant":"204.0883","ri":"3.575","ri_type":"","pubchem_id":"6305","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TYROSINE (M+H)+","moverz_quant":"181.0739","ri":"1.291","ri_type":"","pubchem_id":"6057","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"TYROSINE (M+NA)+","moverz_quant":"181.0737","ri":"1.292","ri_type":"","pubchem_id":"6057","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"URIC ACID (M+H)+","moverz_quant":"168.0279","ri":"0.982","ri_type":"","pubchem_id":"1175","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"URIC ACID (M+NA)+","moverz_quant":"168.0312","ri":"0.981","ri_type":"","pubchem_id":"1175","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"URIDINE (M+H)+","moverz_quant":"244.0697","ri":"1.332","ri_type":"","pubchem_id":"6029","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"URIDINE (M+NA)+","moverz_quant":"244.0692","ri":"1.328","ri_type":"","pubchem_id":"6029","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"UROCANIC ACID (M+H)+","moverz_quant":"138.0419","ri":"0.91","ri_type":"","pubchem_id":"736715","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"URSODIOL (M+NA)+","moverz_quant":"392.2965","ri":"21.711","ri_type":"","pubchem_id":"31401","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"VALINE (M+H)+","moverz_quant":"117.0787","ri":"0.866","ri_type":"","pubchem_id":"6287","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"VALINE (M+NA)+","moverz_quant":"117.0772","ri":"0.859","ri_type":"","pubchem_id":"6287","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"XANTHURENIC ACID (M+H)+","moverz_quant":"205.0381","ri":"4.529","ri_type":"","pubchem_id":"5699","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ZEATIN [ISTD] (M+H)+","moverz_quant":"219.1126","ri":"3.862","ri_type":"","pubchem_id":"449093","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""}]
}

}