{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001815","ANALYSIS_ID":"AN002944","VERSION":"1","CREATED_ON":"May 18, 2021, 3:29 pm"},

"PROJECT":{"PROJECT_TITLE":"Metabolic Markers of Methotrexate Response in Juvenile Idiopathic Arthritis","PROJECT_TYPE":"Clinical","PROJECT_SUMMARY":"Association of changes in the plasma metabolome with clinical response to methotrexate in children with juvenile idiopathic arthritis.","INSTITUTE":"University Of Kansas","DEPARTMENT":"Pharmacy Practice","LABORATORY":"Funk","LAST_NAME":"Funk","FIRST_NAME":"Ryan","ADDRESS":"2106 Olathe Boulevard, Kansas City, Kansas, 66160, USA","EMAIL":"ryanfunk@kumc.edu","PHONE":"9139456904","FUNDING_SOURCE":"KL2TR002367"},

"STUDY":{"STUDY_TITLE":"Metabolic Markers of Methotrexate Response in Juvenile Idiopathic Arthritis","STUDY_TYPE":"Clinical","STUDY_SUMMARY":"Plasma from children with juvenile idiopathic arthritis collected pre-treatment and following 3 months of treatment with methotrexate were submitted for metabolomic profiling to the NIH West Coast Metabolomics Center.","INSTITUTE":"University Of Kansas","DEPARTMENT":"Pharmacy Practice","LABORATORY":"Funk Lab","LAST_NAME":"funk","FIRST_NAME":"ryan","ADDRESS":"2106 Olathe Boulevard","EMAIL":"ryanfunk@kumc.edu","PHONE":"9135885000","NUM_GROUPS":"1","TOTAL_SUBJECTS":"30","NUM_MALES":"9","NUM_FEMALES":"21"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","AGE_OR_AGE_RANGE":"1.8 to 17 years","GENDER":"Not applicable"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"2.0",
"Factors":{"Subject":"2","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"8.0",
"Factors":{"Subject":"8","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"9.0",
"Factors":{"Subject":"9","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"10.0",
"Factors":{"Subject":"10","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"11.0",
"Factors":{"Subject":"11","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"12.0",
"Factors":{"Subject":"12","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"14.0",
"Factors":{"Subject":"14","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"20.0",
"Factors":{"Subject":"20","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"22.0",
"Factors":{"Subject":"22","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"24.0",
"Factors":{"Subject":"24","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"25.0",
"Factors":{"Subject":"25","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"29.0",
"Factors":{"Subject":"29","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"30.0",
"Factors":{"Subject":"30","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"35.0",
"Factors":{"Subject":"35","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"36.0",
"Factors":{"Subject":"36","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"37.0",
"Factors":{"Subject":"37","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"38.0",
"Factors":{"Subject":"38","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"40.0",
"Factors":{"Subject":"40","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"45.0",
"Factors":{"Subject":"45","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"49.0",
"Factors":{"Subject":"49","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"50.0",
"Factors":{"Subject":"50","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"51.0",
"Factors":{"Subject":"51","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"58.0",
"Factors":{"Subject":"58","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"59.0",
"Factors":{"Subject":"59","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"60.0",
"Factors":{"Subject":"60","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"61.0",
"Factors":{"Subject":"61","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"62.0",
"Factors":{"Subject":"62","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"63.0",
"Factors":{"Subject":"63","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"64.0",
"Factors":{"Subject":"64","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"66.0",
"Factors":{"Subject":"66","Timepoint":"-"}
},
{
"Subject ID":"-",
"Sample ID":"2.3",
"Factors":{"Subject":"2","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"8.3",
"Factors":{"Subject":"8","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"9.3",
"Factors":{"Subject":"9","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"10.3",
"Factors":{"Subject":"10","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"11.3",
"Factors":{"Subject":"11","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"12.3",
"Factors":{"Subject":"12","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"14.3",
"Factors":{"Subject":"14","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"20.3",
"Factors":{"Subject":"20","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"22.3",
"Factors":{"Subject":"22","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"24.3",
"Factors":{"Subject":"24","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"25.3",
"Factors":{"Subject":"25","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"29.3",
"Factors":{"Subject":"29","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"30.3",
"Factors":{"Subject":"30","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"35.3",
"Factors":{"Subject":"35","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"36.3",
"Factors":{"Subject":"36","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"37.3",
"Factors":{"Subject":"37","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"38.3",
"Factors":{"Subject":"38","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"40.3",
"Factors":{"Subject":"40","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"45.3",
"Factors":{"Subject":"45","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"49.3",
"Factors":{"Subject":"49","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"50.3",
"Factors":{"Subject":"50","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"51.3",
"Factors":{"Subject":"51","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"58.3",
"Factors":{"Subject":"58","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"59.3",
"Factors":{"Subject":"59","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"60.3",
"Factors":{"Subject":"60","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"61.3",
"Factors":{"Subject":"61","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"62.3",
"Factors":{"Subject":"62","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"63.6",
"Factors":{"Subject":"64","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"64.3",
"Factors":{"Subject":"64","Timepoint":"3"}
},
{
"Subject ID":"-",
"Sample ID":"66.3",
"Factors":{"Subject":"66","Timepoint":"3"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Venous blood samples were collected in K2-EDTA containing tubes prior to initiation of MTX and at the patient’s routine 3 month follow up clinic visit along with routine laboratory blood draws. Venous blood samples (10 mL) collected at each timepoint were separated into plasma and cellular fractions by centrifugations at 2,000 RPM in a Beckman tabletop centrifuge for 10 minutes. The resulting supernatant (i.e. plasma fraction) was separated into aliquots and stored at -80 ºC prior to analysis.","SAMPLE_TYPE":"Blood (plasma)","STORAGE_CONDITIONS":"-80℃","ADDITIVES":"K2EDTA"},

"TREATMENT":{"TREATMENT_SUMMARY":"Plasma samples were acquired from a single-center prospective cohort of JIA patients. The study included patients diagnosed with JIA requiring initiation of MTX for inadequately controlled disease without the need for biological therapy at initiation. Diagnosis of JIA was established based on the Edmonton 2001 International League of Associations of Rheumatology (ILAR) criteria for JIA. Patients were initiated on a standardized MTX dose of 15 mg/m2 weekly by subcutaneous or oral administration along with 1 mg folic acid daily. Concurrent medications allowed included nonsteroidal anti-inflammatory drugs (NSAIDs) and daily low-dose steroids (the lesser of 0.2 mg/kg/day or 10 mg). Intra-articular steroid injections (IASI) were allowed, however injected joints were counted as “active” at follow up to reduce the potential bias resulting from IASI.","TREATMENT_COMPOUND":"Methotrexate","TREATMENT_ROUTE":"Oral or Subcutaneous","TREATMENT_DOSE":"15 mg/m^2","TREATMENT_DOSEDURATION":"3 months"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Plasma samples were sent to the West Coast Metabolomics Center and were processed on laboratory Standard Operating Procedures for Sample Preparation of Blood Plasma or Serum Samples for Lipidomic, Biogenic Amine, and Primary Metabolomic Analysis using a biphasic MeOH/MTBE/Water extraction procedure. The upper organic phase was used for lipidomics analysis and the aqueous phase was used for analysis of primary metabolism and biogenic amines."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Primary Metabolism","CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Leco Pegasus IV GC","COLUMN_NAME":"Restek Rtx-5Sil MS (30 x 0.25mm, 0.25um)"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","ANALYSIS_PROTOCOL_FILE":"Fiehn_laboratory_GCTOF_MS_primary_metabolism_10-15-2013_general_.pdf"},

"MS":{"INSTRUMENT_NAME":"Leco Pegasus IV TOF","INSTRUMENT_TYPE":"GC-TOF","MS_TYPE":"EI","ION_MODE":"NEGATIVE","MS_COMMENTS":"MS acquisition, data processing, and feature assignments were conducted at the West Coast Metabolomics Center. Please reference the attached protocols."},

"MS_METABOLITE_DATA":{
"Units":"Peak Height Intensity",

"Data":[{"Metabolite":"xylulose NIST","10.3":"299","10":"318","11.3":"312","11":"486","12.3":"327","12":"361","2.3":"380","2":"277","20.3":"228","20":"296","25.3":"336","25":"239","36.3":"330","36":"312","37.3":"356","37":"138","51.3":"285","51":"350","59.3":"114","59":"432","60.3":"214","60":"274","62.3":"313","62":"178","63.6":"211","63":"259","8.3":"170","8":"374","9.3":"132","9":"664","14.3":"453","14":"349","22.3":"320","22":"121","24.3":"318","24":"208","29.3":"191","29":"197","30.3":"288","30":"218","35.3":"271","35":"348","38.3":"237","38":"342","40.3":"202","40":"386","45.3":"351","45":"269","49.3":"304","49":"353","50.3":"280","50":"119","58.3":"192","58":"291","61.3":"251","61":"368","64.3":"243","64":"169","66.3":"357","66":"248"},{"Metabolite":"xylose","10.3":"1156","10":"578","11.3":"1727","11":"641","12.3":"1095","12":"784","2.3":"871","2":"849","20.3":"901","20":"501","25.3":"934","25":"461","36.3":"1444","36":"820","37.3":"5930","37":"1005","51.3":"1047","51":"917","59.3":"816","59":"1515","60.3":"916","60":"1304","62.3":"1444","62":"992","63.6":"752","63":"972","8.3":"555","8":"747","9.3":"6558","9":"1063","14.3":"532","14":"636","22.3":"1076","22":"716","24.3":"879","24":"564","29.3":"589","29":"753","30.3":"1952","30":"473","35.3":"674","35":"628","38.3":"2644","38":"624","40.3":"886","40":"1370","45.3":"607","45":"862","49.3":"544","49":"775","50.3":"590","50":"1138","58.3":"856","58":"1281","61.3":"755","61":"951","64.3":"619","64":"999","66.3":"861","66":"787"},{"Metabolite":"xylitol","10.3":"288","10":"217","11.3":"448","11":"442","12.3":"427","12":"230","2.3":"424","2":"433","20.3":"361","20":"288","25.3":"370","25":"185","36.3":"417","36":"334","37.3":"334","37":"284","51.3":"563","51":"518","59.3":"170","59":"563","60.3":"351","60":"574","62.3":"362","62":"400","63.6":"267","63":"632","8.3":"565","8":"366","9.3":"348","9":"310","14.3":"328","14":"632","22.3":"327","22":"430","24.3":"257","24":"355","29.3":"247","29":"286","30.3":"271","30":"280","35.3":"222","35":"389","38.3":"240","38":"352","40.3":"217","40":"545","45.3":"236","45":"310","49.3":"255","49":"243","50.3":"337","50":"403","58.3":"326","58":"485","61.3":"403","61":"556","64.3":"229","64":"361","66.3":"363","66":"292"},{"Metabolite":"valine","10.3":"52156","10":"107991","11.3":"44191","11":"74964","12.3":"46752","12":"59352","2.3":"75296","2":"127720","20.3":"72696","20":"70281","25.3":"104614","25":"61394","36.3":"53666","36":"86497","37.3":"70551","37":"42116","51.3":"52304","51":"73566","59.3":"65622","59":"40474","60.3":"55725","60":"58205","62.3":"64745","62":"64826","63.6":"97845","63":"90258","8.3":"34604","8":"109823","9.3":"82187","9":"79335","14.3":"47764","14":"54206","22.3":"73964","22":"76002","24.3":"77380","24":"96487","29.3":"90903","29":"84394","30.3":"49154","30":"66927","35.3":"86897","35":"128058","38.3":"96535","38":"83354","40.3":"93068","40":"63642","45.3":"51255","45":"54443","49.3":"156989","49":"63650","50.3":"114352","50":"97481","58.3":"59648","58":"60310","61.3":"106291","61":"52468","64.3":"74765","64":"60137","66.3":"74163","66":"72130"},{"Metabolite":"uric acid","10.3":"15378","10":"14379","11.3":"11329","11":"16371","12.3":"22021","12":"19888","2.3":"49195","2":"30431","20.3":"19341","20":"17633","25.3":"12283","25":"7147","36.3":"18195","36":"15241","37.3":"5108","37":"5578","51.3":"15640","51":"11745","59.3":"7448","59":"9394","60.3":"13022","60":"11715","62.3":"17929","62":"34406","63.6":"13664","63":"26071","8.3":"15777","8":"9572","9.3":"6240","9":"7133","14.3":"8430","14":"6676","22.3":"25617","22":"14054","24.3":"12711","24":"13388","29.3":"11310","29":"12760","30.3":"11149","30":"7037","35.3":"14966","35":"27290","38.3":"5885","38":"6522","40.3":"11530","40":"6130","45.3":"19346","45":"15507","49.3":"12483","49":"11522","50.3":"15846","50":"11130","58.3":"11178","58":"12042","61.3":"15284","61":"16351","64.3":"28223","64":"11734","66.3":"19169","66":"12206"},{"Metabolite":"urea","10.3":"250771","10":"239831","11.3":"405836","11":"274575","12.3":"234189","12":"364301","2.3":"268978","2":"231445","20.3":"180451","20":"273337","25.3":"360766","25":"210018","36.3":"422775","36":"288499","37.3":"345243","37":"237479","51.3":"408285","51":"435004","59.3":"180030","59":"504638","60.3":"268938","60":"257893","62.3":"259966","62":"315169","63.6":"176872","63":"473981","8.3":"293498","8":"199788","9.3":"312803","9":"368617","14.3":"321721","14":"360406","22.3":"208938","22":"332806","24.3":"326535","24":"323657","29.3":"247544","29":"247928","30.3":"322415","30":"342065","35.3":"254472","35":"278638","38.3":"234284","38":"297413","40.3":"232533","40":"431979","45.3":"359564","45":"370513","49.3":"270561","49":"295355","50.3":"203379","50":"274043","58.3":"262631","58":"363680","61.3":"237491","61":"357325","64.3":"352127","64":"285493","66.3":"170050","66":"221458"},{"Metabolite":"UDP-glucuronic acid","10.3":"277","10":"133","11.3":"2362","11":"323","12.3":"532","12":"410","2.3":"149","2":"126","20.3":"263","20":"301","25.3":"240","25":"453","36.3":"213","36":"214","37.3":"210","37":"520","51.3":"263","51":"1595","59.3":"78","59":"717","60.3":"462","60":"184","62.3":"1044","62":"207","63.6":"109","63":"668","8.3":"533","8":"250","9.3":"992","9":"755","14.3":"353","14":"175","22.3":"165","22":"253","24.3":"282","24":"261","29.3":"446","29":"221","30.3":"1249","30":"1082","35.3":"273","35":"313","38.3":"646","38":"167","40.3":"320","40":"474","45.3":"189","45":"640","49.3":"168","49":"354","50.3":"270","50":"282","58.3":"240","58":"331","61.3":"124","61":"289","64.3":"319","64":"134","66.3":"290","66":"515"},{"Metabolite":"tyrosine","10.3":"10892","10":"22795","11.3":"10430","11":"14467","12.3":"9337","12":"17676","2.3":"17344","2":"22521","20.3":"23414","20":"31120","25.3":"10874","25":"8355","36.3":"17280","36":"15096","37.3":"6438","37":"10320","51.3":"16589","51":"11803","59.3":"3769","59":"4393","60.3":"17402","60":"2718","62.3":"17732","62":"19144","63.6":"14320","63":"23712","8.3":"11348","8":"27645","9.3":"15012","9":"8989","14.3":"21698","14":"17086","22.3":"12226","22":"14457","24.3":"19643","24":"23080","29.3":"17066","29":"19229","30.3":"12402","30":"10280","35.3":"17260","35":"28344","38.3":"11991","38":"15116","40.3":"12047","40":"8295","45.3":"7509","45":"9893","49.3":"17145","49":"20656","50.3":"14361","50":"29154","58.3":"9774","58":"13036","61.3":"19017","61":"12840","64.3":"12763","64":"12480","66.3":"11832","66":"12652"},{"Metabolite":"tryptophan","10.3":"15391","10":"14289","11.3":"5162","11":"6718","12.3":"3264","12":"6935","2.3":"22859","2":"12977","20.3":"25568","20":"11748","25.3":"6704","25":"11443","36.3":"21755","36":"7159","37.3":"1953","37":"12487","51.3":"19031","51":"550","59.3":"1430","59":"1657","60.3":"8548","60":"567","62.3":"5201","62":"21099","63.6":"8646","63":"13586","8.3":"9049","8":"11045","9.3":"4631","9":"5013","14.3":"16692","14":"14364","22.3":"2029","22":"20544","24.3":"17416","24":"21362","29.3":"8088","29":"10675","30.3":"13100","30":"17630","35.3":"12428","35":"24198","38.3":"5447","38":"17078","40.3":"3064","40":"1428","45.3":"7114","45":"7706","49.3":"18816","49":"5729","50.3":"23705","50":"13434","58.3":"1101","58":"25232","61.3":"8181","61":"21671","64.3":"26412","64":"11230","66.3":"5656","66":"3658"},{"Metabolite":"trans-4-hydroxyproline","10.3":"3423","10":"6085","11.3":"10416","11":"2767","12.3":"4200","12":"2402","2.3":"2222","2":"2475","20.3":"3085","20":"2640","25.3":"2891","25":"3064","36.3":"3979","36":"2940","37.3":"4109","37":"8094","51.3":"4995","51":"4145","59.3":"5275","59":"3788","60.3":"2901","60":"4189","62.3":"3377","62":"5329","63.6":"3780","63":"2333","8.3":"2665","8":"2749","9.3":"2951","9":"4070","14.3":"13874","14":"4305","22.3":"3466","22":"4902","24.3":"3341","24":"3577","29.3":"4412","29":"2760","30.3":"4628","30":"4367","35.3":"3107","35":"2799","38.3":"3599","38":"2606","40.3":"5279","40":"5972","45.3":"3497","45":"4651","49.3":"4139","49":"2518","50.3":"4439","50":"3546","58.3":"4822","58":"3587","61.3":"4855","61":"4358","64.3":"3291","64":"2576","66.3":"3307","66":"2788"},{"Metabolite":"tocopherol gamma-","10.3":"820","10":"432","11.3":"561","11":"1080","12.3":"808","12":"886","2.3":"1567","2":"1092","20.3":"1195","20":"711","25.3":"1622","25":"1025","36.3":"907","36":"817","37.3":"626","37":"1323","51.3":"594","51":"721","59.3":"181","59":"522","60.3":"573","60":"1241","62.3":"360","62":"653","63.6":"553","63":"522","8.3":"1653","8":"832","9.3":"478","9":"487","14.3":"341","14":"310","22.3":"625","22":"1410","24.3":"471","24":"323","29.3":"314","29":"715","30.3":"811","30":"1319","35.3":"621","35":"741","38.3":"402","38":"336","40.3":"897","40":"778","45.3":"448","45":"950","49.3":"444","49":"448","50.3":"1233","50":"820","58.3":"820","58":"801","61.3":"752","61":"1283","64.3":"808","64":"642","66.3":"1213","66":"632"},{"Metabolite":"tocopherol alpha-","10.3":"2714","10":"1580","11.3":"4382","11":"2680","12.3":"2241","12":"1871","2.3":"2847","2":"1957","20.3":"3505","20":"2356","25.3":"4481","25":"1955","36.3":"5180","36":"3079","37.3":"3098","37":"2704","51.3":"4916","51":"3190","59.3":"1493","59":"3055","60.3":"2802","60":"2926","62.3":"3775","62":"2961","63.6":"2614","63":"3396","8.3":"3993","8":"1481","9.3":"3991","9":"2404","14.3":"2387","14":"2525","22.3":"2036","22":"2384","24.3":"3141","24":"2287","29.3":"3556","29":"3299","30.3":"3500","30":"5240","35.3":"2985","35":"2572","38.3":"2013","38":"3601","40.3":"2334","40":"2916","45.3":"4401","45":"4042","49.3":"1864","49":"3736","50.3":"1886","50":"3491","58.3":"2804","58":"2784","61.3":"2766","61":"3257","64.3":"3677","64":"3154","66.3":"2388","66":"2581"},{"Metabolite":"threonine","10.3":"5351","10":"10201","11.3":"6745","11":"11833","12.3":"13997","12":"7354","2.3":"6436","2":"6607","20.3":"8773","20":"8994","25.3":"14641","25":"15301","36.3":"8195","36":"9231","37.3":"9709","37":"7440","51.3":"6556","51":"6641","59.3":"5921","59":"5718","60.3":"10098","60":"7714","62.3":"7599","62":"12617","63.6":"12705","63":"5809","8.3":"5624","8":"11224","9.3":"7313","9":"8567","14.3":"10469","14":"8999","22.3":"15378","22":"16027","24.3":"14058","24":"12035","29.3":"14965","29":"11491","30.3":"6723","30":"6839","35.3":"16548","35":"11483","38.3":"11774","38":"9363","40.3":"17694","40":"12594","45.3":"4946","45":"8490","49.3":"14247","49":"17286","50.3":"20484","50":"11397","58.3":"11119","58":"11025","61.3":"21040","61":"8819","64.3":"8084","64":"7657","66.3":"12880","66":"10892"},{"Metabolite":"threonic acid","10.3":"2577","10":"2213","11.3":"4708","11":"2162","12.3":"1590","12":"2453","2.3":"1336","2":"644","20.3":"4278","20":"1742","25.3":"3408","25":"975","36.3":"2879","36":"1328","37.3":"2365","37":"2930","51.3":"4657","51":"1757","59.3":"707","59":"1458","60.3":"1849","60":"1359","62.3":"2834","62":"544","63.6":"1506","63":"1727","8.3":"3012","8":"750","9.3":"3645","9":"3791","14.3":"2439","14":"3204","22.3":"2620","22":"1484","24.3":"2205","24":"3038","29.3":"3216","29":"2332","30.3":"2898","30":"2893","35.3":"2123","35":"1984","38.3":"2581","38":"2390","40.3":"1320","40":"1358","45.3":"4278","45":"2711","49.3":"1917","49":"4052","50.3":"1570","50":"1720","58.3":"1265","58":"3241","61.3":"3171","61":"1486","64.3":"5011","64":"3934","66.3":"2157","66":"2039"},{"Metabolite":"threitol","10.3":"398","10":"334","11.3":"941","11":"225","12.3":"523","12":"560","2.3":"313","2":"488","20.3":"316","20":"420","25.3":"430","25":"253","36.3":"488","36":"370","37.3":"973","37":"393","51.3":"656","51":"448","59.3":"553","59":"793","60.3":"475","60":"471","62.3":"482","62":"661","63.6":"370","63":"603","8.3":"342","8":"365","9.3":"1709","9":"630","14.3":"483","14":"406","22.3":"552","22":"314","24.3":"581","24":"365","29.3":"245","29":"283","30.3":"589","30":"297","35.3":"525","35":"371","38.3":"959","38":"555","40.3":"415","40":"598","45.3":"504","45":"877","49.3":"407","49":"519","50.3":"445","50":"485","58.3":"449","58":"422","61.3":"369","61":"371","64.3":"490","64":"763","66.3":"327","66":"397"},{"Metabolite":"taurine","10.3":"131","10":"302","11.3":"141","11":"249","12.3":"58","12":"80","2.3":"143","2":"108","20.3":"80","20":"139","25.3":"326","25":"433","36.3":"111","36":"689","37.3":"443","37":"763","51.3":"121","51":"122","59.3":"123","59":"150","60.3":"329","60":"96","62.3":"240","62":"91","63.6":"339","63":"185","8.3":"124","8":"368","9.3":"124","9":"147","14.3":"121","14":"613","22.3":"292","22":"192","24.3":"289","24":"337","29.3":"984","29":"3435","30.3":"105","30":"167","35.3":"446","35":"183","38.3":"204","38":"197","40.3":"79","40":"127","45.3":"74","45":"305","49.3":"296","49":"223","50.3":"372","50":"99","58.3":"124","58":"67","61.3":"1374","61":"254","64.3":"111","64":"512","66.3":"188","66":"352"},{"Metabolite":"sucrose","10.3":"134","10":"193","11.3":"18316","11":"633","12.3":"10194","12":"3548","2.3":"251","2":"552","20.3":"223","20":"406","25.3":"254","25":"310","36.3":"752","36":"82","37.3":"347","37":"983","51.3":"241","51":"861","59.3":"239","59":"548","60.3":"339","60":"3568","62.3":"705","62":"245","63.6":"276","63":"628","8.3":"484","8":"251","9.3":"601","9":"746","14.3":"1397","14":"9223","22.3":"633","22":"465","24.3":"273","24":"454","29.3":"1102","29":"112","30.3":"521","30":"1244","35.3":"569","35":"229","38.3":"288","38":"194","40.3":"385","40":"1127","45.3":"665","45":"713","49.3":"335","49":"203","50.3":"60","50":"380","58.3":"204","58":"423","61.3":"130","61":"206","64.3":"293","64":"4926","66.3":"517","66":"400"},{"Metabolite":"stearic acid","10.3":"92406","10":"61775","11.3":"112786","11":"126001","12.3":"67275","12":"120803","2.3":"98021","2":"132578","20.3":"84757","20":"86474","25.3":"86317","25":"81991","36.3":"149889","36":"144204","37.3":"88930","37":"102616","51.3":"100955","51":"119222","59.3":"71253","59":"165981","60.3":"97879","60":"113749","62.3":"111975","62":"104300","63.6":"92439","63":"73682","8.3":"96104","8":"99561","9.3":"115149","9":"94809","14.3":"86020","14":"76080","22.3":"82854","22":"113877","24.3":"85659","24":"115657","29.3":"75341","29":"81336","30.3":"104219","30":"171514","35.3":"91350","35":"86673","38.3":"64152","38":"153773","40.3":"84232","40":"120284","45.3":"126480","45":"153884","49.3":"74082","49":"120514","50.3":"80639","50":"85727","58.3":"87239","58":"93372","61.3":"82985","61":"146961","64.3":"111738","64":"110694","66.3":"81494","66":"66615"},{"Metabolite":"sorbitol","10.3":"1099","10":"1140","11.3":"2446","11":"1874","12.3":"1548","12":"1836","2.3":"1360","2":"1207","20.3":"4835","20":"1838","25.3":"1318","25":"1163","36.3":"1467","36":"843","37.3":"491","37":"1398","51.3":"1323","51":"2133","59.3":"206","59":"2382","60.3":"1937","60":"1261","62.3":"2143","62":"1212","63.6":"286","63":"1402","8.3":"847","8":"1714","9.3":"1702","9":"1260","14.3":"1499","14":"676","22.3":"1598","22":"1250","24.3":"1239","24":"1535","29.3":"1667","29":"1402","30.3":"1337","30":"1275","35.3":"1260","35":"1014","38.3":"683","38":"1059","40.3":"682","40":"982","45.3":"1355","45":"1364","49.3":"792","49":"1906","50.3":"1129","50":"1035","58.3":"2848","58":"1575","61.3":"823","61":"1424","64.3":"1377","64":"1373","66.3":"1157","66":"1552"},{"Metabolite":"serine","10.3":"27499","10":"24677","11.3":"30275","11":"23614","12.3":"23553","12":"19673","2.3":"17665","2":"14014","20.3":"23729","20":"28277","25.3":"25122","25":"16508","36.3":"35920","36":"23919","37.3":"23987","37":"36882","51.3":"38376","51":"18602","59.3":"15112","59":"15780","60.3":"24056","60":"18514","62.3":"13888","62":"38105","63.6":"31068","63":"16646","8.3":"22805","8":"23288","9.3":"22856","9":"31269","14.3":"31909","14":"27565","22.3":"26693","22":"37355","24.3":"27388","24":"28554","29.3":"32793","29":"22460","30.3":"30687","30":"29873","35.3":"25597","35":"25664","38.3":"28216","38":"23524","40.3":"30408","40":"22073","45.3":"20887","45":"29843","49.3":"30757","49":"33089","50.3":"31448","50":"43739","58.3":"33506","58":"42837","61.3":"22101","61":"29921","64.3":"27976","64":"26398","66.3":"21371","66":"19564"},{"Metabolite":"ribose","10.3":"399","10":"412","11.3":"393","11":"540","12.3":"963","12":"483","2.3":"376","2":"367","20.3":"436","20":"339","25.3":"551","25":"418","36.3":"439","36":"288","37.3":"261","37":"470","51.3":"560","51":"200","59.3":"130","59":"475","60.3":"357","60":"538","62.3":"549","62":"313","63.6":"277","63":"672","8.3":"411","8":"189","9.3":"440","9":"677","14.3":"497","14":"422","22.3":"362","22":"522","24.3":"408","24":"635","29.3":"294","29":"278","30.3":"274","30":"456","35.3":"360","35":"399","38.3":"287","38":"387","40.3":"375","40":"227","45.3":"231","45":"305","49.3":"507","49":"456","50.3":"388","50":"424","58.3":"387","58":"406","61.3":"402","61":"628","64.3":"509","64":"454","66.3":"544","66":"380"},{"Metabolite":"ribonic acid","10.3":"206","10":"182","11.3":"209","11":"215","12.3":"154","12":"116","2.3":"239","2":"104","20.3":"292","20":"99","25.3":"248","25":"124","36.3":"249","36":"184","37.3":"150","37":"126","51.3":"100","51":"257","59.3":"117","59":"373","60.3":"247","60":"178","62.3":"249","62":"122","63.6":"115","63":"125","8.3":"238","8":"185","9.3":"1285","9":"164","14.3":"278","14":"209","22.3":"213","22":"254","24.3":"233","24":"228","29.3":"187","29":"114","30.3":"305","30":"111","35.3":"197","35":"145","38.3":"143","38":"360","40.3":"197","40":"198","45.3":"245","45":"429","49.3":"74","49":"186","50.3":"144","50":"339","58.3":"199","58":"90","61.3":"317","61":"313","64.3":"219","64":"288","66.3":"228","66":"88"},{"Metabolite":"ribitol","10.3":"400","10":"311","11.3":"509","11":"437","12.3":"554","12":"393","2.3":"279","2":"443","20.3":"291","20":"342","25.3":"420","25":"384","36.3":"351","36":"357","37.3":"272","37":"377","51.3":"806","51":"435","59.3":"184","59":"478","60.3":"355","60":"217","62.3":"501","62":"366","63.6":"237","63":"486","8.3":"483","8":"339","9.3":"598","9":"685","14.3":"440","14":"424","22.3":"365","22":"540","24.3":"359","24":"443","29.3":"459","29":"329","30.3":"554","30":"484","35.3":"316","35":"405","38.3":"381","38":"372","40.3":"373","40":"686","45.3":"350","45":"632","49.3":"307","49":"1053","50.3":"335","50":"350","58.3":"522","58":"441","61.3":"247","61":"639","64.3":"403","64":"379","66.3":"334","66":"340"},{"Metabolite":"raffinose","10.3":"221","10":"39","11.3":"212","11":"167","12.3":"194","12":"255","2.3":"224","2":"100","20.3":"219","20":"282","25.3":"201","25":"215","36.3":"175","36":"84","37.3":"274","37":"656","51.3":"227","51":"158","59.3":"55","59":"260","60.3":"117","60":"143","62.3":"201","62":"176","63.6":"59","63":"123","8.3":"71","8":"130","9.3":"207","9":"208","14.3":"328","14":"719","22.3":"289","22":"377","24.3":"173","24":"311","29.3":"232","29":"603","30.3":"249","30":"391","35.3":"101","35":"140","38.3":"105","38":"107","40.3":"82","40":"173","45.3":"104","45":"523","49.3":"323","49":"369","50.3":"239","50":"210","58.3":"167","58":"205","61.3":"136","61":"252","64.3":"125","64":"301","66.3":"321","66":"142"},{"Metabolite":"pyrrole-2-carboxylic acid","10.3":"322","10":"372","11.3":"694","11":"592","12.3":"850","12":"973","2.3":"580","2":"941","20.3":"497","20":"753","25.3":"604","25":"719","36.3":"656","36":"729","37.3":"2111","37":"431","51.3":"543","51":"1483","59.3":"187","59":"1478","60.3":"777","60":"800","62.3":"629","62":"477","63.6":"319","63":"460","8.3":"456","8":"544","9.3":"1205","9":"1211","14.3":"551","14":"391","22.3":"646","22":"582","24.3":"645","24":"316","29.3":"254","29":"372","30.3":"521","30":"517","35.3":"902","35":"296","38.3":"332","38":"415","40.3":"654","40":"1346","45.3":"554","45":"792","49.3":"382","49":"679","50.3":"369","50":"730","58.3":"924","58":"523","61.3":"607","61":"452","64.3":"414","64":"730","66.3":"526","66":"784"},{"Metabolite":"pyrophosphate","10.3":"6232","10":"3204","11.3":"8374","11":"3639","12.3":"7678","12":"5656","2.3":"5368","2":"1065","20.3":"4239","20":"4331","25.3":"7599","25":"7272","36.3":"12036","36":"8326","37.3":"15721","37":"9211","51.3":"7148","51":"5021","59.3":"1205","59":"8669","60.3":"5946","60":"9889","62.3":"5296","62":"5091","63.6":"3725","63":"2380","8.3":"2896","8":"2949","9.3":"6974","9":"5716","14.3":"8617","14":"9162","22.3":"7487","22":"6336","24.3":"7206","24":"3965","29.3":"9131","29":"9470","30.3":"4196","30":"5982","35.3":"6463","35":"1768","38.3":"5618","38":"2646","40.3":"4326","40":"8229","45.3":"2004","45":"16684","49.3":"6097","49":"3234","50.3":"4688","50":"5276","58.3":"3975","58":"3506","61.3":"9877","61":"7185","64.3":"2547","64":"9997","66.3":"6512","66":"4047"},{"Metabolite":"pseudo uridine","10.3":"1023","10":"800","11.3":"1087","11":"1270","12.3":"1554","12":"1374","2.3":"1727","2":"1285","20.3":"1105","20":"930","25.3":"992","25":"530","36.3":"1011","36":"870","37.3":"841","37":"860","51.3":"1207","51":"1220","59.3":"636","59":"1087","60.3":"979","60":"1129","62.3":"1494","62":"1641","63.6":"968","63":"1565","8.3":"1331","8":"970","9.3":"859","9":"885","14.3":"1129","14":"951","22.3":"1560","22":"1040","24.3":"999","24":"1132","29.3":"764","29":"1212","30.3":"1269","30":"965","35.3":"1077","35":"1242","38.3":"886","38":"1440","40.3":"1075","40":"1165","45.3":"1339","45":"1406","49.3":"895","49":"1107","50.3":"842","50":"1295","58.3":"864","58":"805","61.3":"861","61":"1259","64.3":"1253","64":"1085","66.3":"1208","66":"920"},{"Metabolite":"proline","10.3":"43517","10":"87760","11.3":"21561","11":"10779","12.3":"19375","12":"8864","2.3":"21114","2":"26571","20.3":"19728","20":"18759","25.3":"13091","25":"29967","36.3":"9952","36":"20621","37.3":"75844","37":"124953","51.3":"29195","51":"5437","59.3":"16846","59":"2000","60.3":"14208","60":"4214","62.3":"15329","62":"26225","63.6":"33341","63":"23762","8.3":"11955","8":"54928","9.3":"9890","9":"13051","14.3":"32941","14":"33403","22.3":"16624","22":"15737","24.3":"31742","24":"47227","29.3":"67368","29":"75725","30.3":"17583","30":"8314","35.3":"23050","35":"53176","38.3":"83438","38":"32836","40.3":"10818","40":"5834","45.3":"3279","45":"15395","49.3":"53684","49":"38611","50.3":"42389","50":"22248","58.3":"6819","58":"25168","61.3":"57760","61":"14919","64.3":"16684","64":"14107","66.3":"23173","66":"20414"},{"Metabolite":"phosphoethanolamine","10.3":"364","10":"286","11.3":"586","11":"466","12.3":"1068","12":"494","2.3":"477","2":"156","20.3":"259","20":"350","25.3":"787","25":"570","36.3":"381","36":"1085","37.3":"1050","37":"272","51.3":"388","51":"580","59.3":"234","59":"458","60.3":"527","60":"891","62.3":"313","62":"329","63.6":"294","63":"276","8.3":"243","8":"326","9.3":"556","9":"576","14.3":"441","14":"455","22.3":"536","22":"609","24.3":"518","24":"176","29.3":"454","29":"465","30.3":"366","30":"466","35.3":"590","35":"346","38.3":"296","38":"96","40.3":"491","40":"841","45.3":"232","45":"898","49.3":"260","49":"232","50.3":"334","50":"603","58.3":"484","58":"158","61.3":"938","61":"344","64.3":"298","64":"758","66.3":"483","66":"468"},{"Metabolite":"phosphate","10.3":"107688","10":"95323","11.3":"97259","11":"79837","12.3":"97685","12":"92924","2.3":"71106","2":"62990","20.3":"93883","20":"61687","25.3":"81735","25":"40982","36.3":"97430","36":"59198","37.3":"81090","37":"99590","51.3":"143961","51":"76066","59.3":"190289","59":"108119","60.3":"60169","60":"106877","62.3":"77512","62":"93748","63.6":"103339","63":"115621","8.3":"88094","8":"43353","9.3":"129138","9":"110790","14.3":"88652","14":"115506","22.3":"91841","22":"56323","24.3":"96836","24":"94043","29.3":"79309","29":"88058","30.3":"103037","30":"108403","35.3":"78351","35":"95162","38.3":"85803","38":"79893","40.3":"108358","40":"123163","45.3":"120102","45":"117431","49.3":"125262","49":"68413","50.3":"54020","50":"118938","58.3":"66779","58":"80365","61.3":"63124","61":"103992","64.3":"97077","64":"108732","66.3":"73466","66":"82010"},{"Metabolite":"phenylalanine","10.3":"14440","10":"14349","11.3":"11321","11":"9208","12.3":"16855","12":"12679","2.3":"13461","2":"14509","20.3":"15241","20":"17623","25.3":"10927","25":"9249","36.3":"22558","36":"10749","37.3":"9120","37":"12243","51.3":"20393","51":"11195","59.3":"9317","59":"9105","60.3":"16536","60":"8886","62.3":"12935","62":"16415","63.6":"16881","63":"21020","8.3":"10192","8":"17378","9.3":"13721","9":"14450","14.3":"14770","14":"17359","22.3":"10585","22":"12388","24.3":"11319","24":"12877","29.3":"16911","29":"12797","30.3":"11157","30":"11302","35.3":"12503","35":"14309","38.3":"15013","38":"9169","40.3":"17577","40":"15670","45.3":"8712","45":"14758","49.3":"16505","49":"10775","50.3":"13698","50":"19779","58.3":"13811","58":"16694","61.3":"17055","61":"14729","64.3":"14302","64":"13150","66.3":"10145","66":"10377"},{"Metabolite":"parabanic acid NIST","10.3":"660","10":"967","11.3":"2059","11":"3451","12.3":"2514","12":"2781","2.3":"1023","2":"1768","20.3":"911","20":"1558","25.3":"2668","25":"1326","36.3":"1322","36":"3311","37.3":"2880","37":"713","51.3":"1010","51":"5339","59.3":"821","59":"5362","60.3":"2132","60":"4385","62.3":"1263","62":"1262","63.6":"688","63":"739","8.3":"1377","8":"1821","9.3":"2958","9":"2839","14.3":"1347","14":"880","22.3":"2881","22":"1238","24.3":"2038","24":"1122","29.3":"811","29":"796","30.3":"1224","30":"1657","35.3":"2988","35":"1086","38.3":"534","38":"1617","40.3":"2145","40":"4278","45.3":"3053","45":"1903","49.3":"1035","49":"1334","50.3":"857","50":"2084","58.3":"3198","58":"971","61.3":"1584","61":"679","64.3":"1502","64":"2067","66.3":"1990","66":"2392"},{"Metabolite":"palmitoleic acid","10.3":"203","10":"88","11.3":"209","11":"395","12.3":"101","12":"141","2.3":"1555","2":"267","20.3":"250","20":"187","25.3":"668","25":"131","36.3":"503","36":"192","37.3":"430","37":"145","51.3":"246","51":"235","59.3":"1368","59":"760","60.3":"125","60":"188","62.3":"126","62":"88","63.6":"420","63":"186","8.3":"679","8":"212","9.3":"65","9":"189","14.3":"111","14":"138","22.3":"105","22":"246","24.3":"58","24":"395","29.3":"222","29":"142","30.3":"167","30":"358","35.3":"144","35":"247","38.3":"154","38":"1351","40.3":"92","40":"162","45.3":"1693","45":"404","49.3":"162","49":"117","50.3":"222","50":"379","58.3":"296","58":"67","61.3":"66","61":"81","64.3":"341","64":"125","66.3":"113","66":"130"},{"Metabolite":"palmitic acid","10.3":"22047","10":"15359","11.3":"28357","11":"30362","12.3":"20827","12":"25801","2.3":"29267","2":"30271","20.3":"21979","20":"19291","25.3":"25875","25":"18173","36.3":"41388","36":"28327","37.3":"25414","37":"21789","51.3":"28539","51":"31237","59.3":"26882","59":"48451","60.3":"22561","60":"27677","62.3":"23868","62":"24385","63.6":"28162","63":"20057","8.3":"31860","8":"24050","9.3":"28669","9":"25747","14.3":"20547","14":"19759","22.3":"21192","22":"28447","24.3":"18987","24":"25008","29.3":"21215","29":"22508","30.3":"26376","30":"40641","35.3":"20323","35":"21452","38.3":"19532","38":"47526","40.3":"23032","40":"29688","45.3":"46799","45":"41213","49.3":"19605","49":"25757","50.3":"21140","50":"25105","58.3":"25307","58":"23195","61.3":"21623","61":"34926","64.3":"30326","64":"29202","66.3":"20181","66":"17723"},{"Metabolite":"oxoproline","10.3":"47255","10":"47569","11.3":"40344","11":"46497","12.3":"76153","12":"42738","2.3":"47855","2":"30564","20.3":"34007","20":"41220","25.3":"57198","25":"41863","36.3":"68794","36":"47075","37.3":"75876","37":"67929","51.3":"87315","51":"69894","59.3":"112853","59":"74212","60.3":"51590","60":"81577","62.3":"59006","62":"70360","63.6":"81818","63":"44312","8.3":"48455","8":"36809","9.3":"54575","9":"65954","14.3":"55641","14":"63662","22.3":"63598","22":"77462","24.3":"55550","24":"56978","29.3":"69670","29":"57567","30.3":"58441","30":"57403","35.3":"53354","35":"60827","38.3":"76491","38":"49583","40.3":"89131","40":"108632","45.3":"58605","45":"88679","49.3":"54734","49":"43317","50.3":"64358","50":"57826","58.3":"90336","58":"61804","61.3":"50683","61":"68550","64.3":"55747","64":"49076","66.3":"57821","66":"59270"},{"Metabolite":"oxalic acid","10.3":"19237","10":"21082","11.3":"40573","11":"55636","12.3":"41459","12":"50216","2.3":"21540","2":"33643","20.3":"19300","20":"27100","25.3":"43008","25":"22820","36.3":"35867","36":"52583","37.3":"48251","37":"13091","51.3":"23194","51":"94377","59.3":"19312","59":"92956","60.3":"37961","60":"69662","62.3":"25844","62":"34739","63.6":"21133","63":"17435","8.3":"28609","8":"30571","9.3":"46275","9":"47266","14.3":"28284","14":"19163","22.3":"44987","22":"27796","24.3":"36737","24":"18616","29.3":"17158","29":"17049","30.3":"30300","30":"42316","35.3":"50500","35":"25482","38.3":"15713","38":"34156","40.3":"47182","40":"75233","45.3":"58116","45":"40905","49.3":"20699","49":"29231","50.3":"18426","50":"45666","58.3":"52238","58":"24240","61.3":"27678","61":"19246","64.3":"35695","64":"36832","66.3":"29026","66":"36770"},{"Metabolite":"ornithine","10.3":"5818","10":"14441","11.3":"8214","11":"7013","12.3":"10451","12":"9094","2.3":"5411","2":"11123","20.3":"8043","20":"12028","25.3":"6522","25":"7228","36.3":"15304","36":"14060","37.3":"6006","37":"9206","51.3":"17126","51":"5964","59.3":"7169","59":"4638","60.3":"14641","60":"5388","62.3":"5913","62":"26313","63.6":"11817","63":"12573","8.3":"4455","8":"10866","9.3":"5593","9":"5445","14.3":"11541","14":"8838","22.3":"9164","22":"8251","24.3":"8951","24":"10467","29.3":"17349","29":"8613","30.3":"10781","30":"6016","35.3":"15737","35":"3924","38.3":"3253","38":"8874","40.3":"11908","40":"10214","45.3":"6048","45":"14950","49.3":"11185","49":"12650","50.3":"11635","50":"15631","58.3":"11903","58":"10549","61.3":"18133","61":"13663","64.3":"16024","64":"7758","66.3":"7653","66":"9147"},{"Metabolite":"naproxen","10.3":"183","10":"39734","11.3":"112764","11":"91136","12.3":"128","12":"114630","2.3":"182","2":"34885","20.3":"61823","20":"129486","25.3":"97","25":"732","36.3":"3637","36":"47359","37.3":"129","37":"126","51.3":"2168","51":"77885","59.3":"72","59":"220","60.3":"160895","60":"102546","62.3":"195050","62":"159","63.6":"86","63":"52195","8.3":"125868","8":"89159","9.3":"72639","9":"114","14.3":"148","14":"154","22.3":"1751","22":"230","24.3":"191","24":"249","29.3":"94539","29":"78553","30.3":"216","30":"157","35.3":"16687","35":"183","38.3":"103","38":"243","40.3":"90","40":"254","45.3":"12722","45":"232","49.3":"164","49":"143743","50.3":"123","50":"124","58.3":"130679","58":"1646","61.3":"29791","61":"235","64.3":"264","64":"38172","66.3":"99526","66":"97824"},{"Metabolite":"N-acetylputrescine","10.3":"434","10":"622","11.3":"593","11":"741","12.3":"561","12":"798","2.3":"544","2":"243","20.3":"622","20":"358","25.3":"625","25":"304","36.3":"750","36":"449","37.3":"455","37":"549","51.3":"1215","51":"725","59.3":"293","59":"800","60.3":"747","60":"795","62.3":"654","62":"870","63.6":"320","63":"1021","8.3":"486","8":"709","9.3":"696","9":"443","14.3":"699","14":"639","22.3":"666","22":"831","24.3":"595","24":"475","29.3":"599","29":"713","30.3":"1441","30":"409","35.3":"1062","35":"973","38.3":"639","38":"466","40.3":"902","40":"1277","45.3":"932","45":"1446","49.3":"544","49":"659","50.3":"608","50":"731","58.3":"471","58":"713","61.3":"906","61":"1066","64.3":"767","64":"623","66.3":"574","66":"747"},{"Metabolite":"N-acetylornithine","10.3":"260","10":"338","11.3":"632","11":"523","12.3":"353","12":"465","2.3":"303","2":"482","20.3":"388","20":"399","25.3":"559","25":"302","36.3":"1625","36":"1622","37.3":"1134","37":"918","51.3":"803","51":"1539","59.3":"403","59":"1977","60.3":"1822","60":"1221","62.3":"438","62":"1360","63.6":"1265","63":"391","8.3":"561","8":"402","9.3":"503","9":"344","14.3":"514","14":"413","22.3":"621","22":"445","24.3":"525","24":"310","29.3":"1065","29":"771","30.3":"2568","30":"1069","35.3":"2409","35":"1383","38.3":"854","38":"1332","40.3":"1172","40":"1932","45.3":"1098","45":"1070","49.3":"396","49":"1114","50.3":"304","50":"956","58.3":"1261","58":"918","61.3":"1790","61":"1051","64.3":"1028","64":"519","66.3":"321","66":"316"},{"Metabolite":"myristic acid","10.3":"623","10":"562","11.3":"592","11":"1141","12.3":"478","12":"769","2.3":"1470","2":"993","20.3":"824","20":"506","25.3":"1439","25":"614","36.3":"1544","36":"721","37.3":"780","37":"520","51.3":"739","51":"1390","59.3":"1796","59":"2038","60.3":"631","60":"568","62.3":"620","62":"605","63.6":"1440","63":"528","8.3":"1520","8":"695","9.3":"1003","9":"692","14.3":"609","14":"616","22.3":"544","22":"800","24.3":"888","24":"1091","29.3":"979","29":"934","30.3":"595","30":"1225","35.3":"558","35":"686","38.3":"593","38":"2999","40.3":"689","40":"877","45.3":"3306","45":"1323","49.3":"564","49":"716","50.3":"739","50":"1625","58.3":"810","58":"522","61.3":"491","61":"983","64.3":"874","64":"927","66.3":"487","66":"494"},{"Metabolite":"myo-inositol","10.3":"8233","10":"5250","11.3":"8521","11":"5957","12.3":"11062","12":"8158","2.3":"12817","2":"7649","20.3":"8465","20":"5644","25.3":"7759","25":"4469","36.3":"7239","36":"6581","37.3":"10229","37":"8164","51.3":"9611","51":"9778","59.3":"3467","59":"8010","60.3":"6141","60":"8980","62.3":"7753","62":"9192","63.6":"8715","63":"7515","8.3":"5751","8":"5498","9.3":"7741","9":"8086","14.3":"7796","14":"7421","22.3":"8139","22":"6943","24.3":"6878","24":"6893","29.3":"9640","29":"9672","30.3":"7135","30":"8422","35.3":"6204","35":"6824","38.3":"7820","38":"8772","40.3":"6396","40":"9473","45.3":"7302","45":"11013","49.3":"5933","49":"5676","50.3":"6383","50":"12839","58.3":"6504","58":"8324","61.3":"9096","61":"4566","64.3":"8114","64":"8893","66.3":"6329","66":"6717"},{"Metabolite":"methyl O-D-galactopyranoside","10.3":"1052","10":"93","11.3":"280","11":"267","12.3":"304","12":"132","2.3":"383","2":"121","20.3":"482","20":"258","25.3":"281","25":"484","36.3":"439","36":"342","37.3":"249","37":"311","51.3":"354","51":"279","59.3":"41","59":"543","60.3":"429","60":"123","62.3":"431","62":"168","63.6":"266","63":"357","8.3":"437","8":"238","9.3":"251","9":"530","14.3":"252","14":"170","22.3":"401","22":"419","24.3":"277","24":"247","29.3":"169","29":"292","30.3":"673","30":"545","35.3":"542","35":"309","38.3":"140","38":"249","40.3":"503","40":"206","45.3":"547","45":"221","49.3":"207","49":"226","50.3":"534","50":"199","58.3":"188","58":"267","61.3":"160","61":"257","64.3":"351","64":"379","66.3":"542","66":"407"},{"Metabolite":"methionine","10.3":"3504","10":"4655","11.3":"1707","11":"2651","12.3":"3090","12":"2570","2.3":"3526","2":"2886","20.3":"3655","20":"3660","25.3":"3461","25":"3148","36.3":"2915","36":"3336","37.3":"2783","37":"2798","51.3":"2455","51":"1948","59.3":"829","59":"1560","60.3":"3082","60":"1989","62.3":"2571","62":"5008","63.6":"2981","63":"2547","8.3":"1910","8":"4684","9.3":"2659","9":"3535","14.3":"3993","14":"3051","22.3":"4300","22":"4347","24.3":"3948","24":"3637","29.3":"3264","29":"3483","30.3":"2402","30":"2684","35.3":"3858","35":"3686","38.3":"2885","38":"2842","40.3":"5197","40":"3343","45.3":"2004","45":"2919","49.3":"4156","49":"3637","50.3":"5074","50":"4847","58.3":"3160","58":"4217","61.3":"5108","61":"1723","64.3":"2926","64":"2906","66.3":"3619","66":"3401"},{"Metabolite":"methanolphosphate","10.3":"1055","10":"1171","11.3":"1721","11":"1058","12.3":"946","12":"1206","2.3":"948","2":"1070","20.3":"1048","20":"683","25.3":"1424","25":"399","36.3":"1914","36":"1505","37.3":"1087","37":"716","51.3":"1435","51":"1549","59.3":"654","59":"1600","60.3":"1177","60":"1451","62.3":"1171","62":"1285","63.6":"1278","63":"1133","8.3":"679","8":"1262","9.3":"821","9":"1114","14.3":"1218","14":"1177","22.3":"1375","22":"1019","24.3":"1311","24":"1039","29.3":"798","29":"1323","30.3":"1330","30":"1295","35.3":"1307","35":"1280","38.3":"818","38":"855","40.3":"1151","40":"1408","45.3":"1238","45":"1442","49.3":"775","49":"1330","50.3":"1271","50":"1128","58.3":"897","58":"1360","61.3":"1035","61":"1050","64.3":"1480","64":"1132","66.3":"1047","66":"849"},{"Metabolite":"mannose","10.3":"9935","10":"8051","11.3":"4222","11":"11673","12.3":"13632","12":"12232","2.3":"14570","2":"8685","20.3":"20882","20":"14433","25.3":"11727","25":"9062","36.3":"9745","36":"14120","37.3":"11169","37":"5365","51.3":"4194","51":"12572","59.3":"97","59":"10755","60.3":"12743","60":"3931","62.3":"10959","62":"5748","63.6":"4689","63":"13569","8.3":"10604","8":"10149","9.3":"5821","9":"6233","14.3":"6742","14":"7118","22.3":"12429","22":"14875","24.3":"9291","24":"9943","29.3":"3769","29":"4159","30.3":"5715","30":"10555","35.3":"10938","35":"5574","38.3":"1031","38":"8770","40.3":"6094","40":"9678","45.3":"9587","45":"4664","49.3":"7644","49":"10405","50.3":"12126","50":"6555","58.3":"9922","58":"9339","61.3":"4761","61":"7432","64.3":"11884","64":"7303","66.3":"7350","66":"6392"},{"Metabolite":"maltose","10.3":"4079","10":"1418","11.3":"19063","11":"4167","12.3":"8015","12":"5999","2.3":"2251","2":"920","20.3":"2388","20":"6791","25.3":"2219","25":"7685","36.3":"2687","36":"5580","37.3":"4264","37":"4459","51.3":"2005","51":"1309","59.3":"168","59":"1002","60.3":"1468","60":"688","62.3":"3318","62":"1479","63.6":"1089","63":"1717","8.3":"1695","8":"2947","9.3":"5973","9":"7664","14.3":"10176","14":"9450","22.3":"2352","22":"7736","24.3":"1893","24":"2057","29.3":"2550","29":"9265","30.3":"1205","30":"8359","35.3":"1390","35":"584","38.3":"1938","38":"973","40.3":"846","40":"2870","45.3":"384","45":"4328","49.3":"6946","49":"1652","50.3":"4551","50":"1732","58.3":"2433","58":"1100","61.3":"4613","61":"1254","64.3":"579","64":"13212","66.3":"1465","66":"3052"},{"Metabolite":"malic acid","10.3":"419","10":"214","11.3":"464","11":"436","12.3":"428","12":"233","2.3":"378","2":"278","20.3":"218","20":"278","25.3":"264","25":"432","36.3":"368","36":"300","37.3":"343","37":"341","51.3":"646","51":"607","59.3":"944","59":"508","60.3":"276","60":"766","62.3":"305","62":"347","63.6":"623","63":"193","8.3":"314","8":"237","9.3":"390","9":"486","14.3":"491","14":"412","22.3":"477","22":"370","24.3":"388","24":"353","29.3":"503","29":"366","30.3":"512","30":"602","35.3":"385","35":"265","38.3":"405","38":"263","40.3":"378","40":"456","45.3":"357","45":"531","49.3":"413","49":"248","50.3":"364","50":"365","58.3":"422","58":"395","61.3":"466","61":"454","64.3":"377","64":"711","66.3":"242","66":"230"},{"Metabolite":"maleimide","10.3":"1075","10":"742","11.3":"1830","11":"805","12.3":"1197","12":"932","2.3":"1702","2":"777","20.3":"1268","20":"736","25.3":"917","25":"732","36.3":"1237","36":"579","37.3":"1469","37":"642","51.3":"2282","51":"873","59.3":"432","59":"1383","60.3":"1509","60":"1573","62.3":"1476","62":"1263","63.6":"639","63":"855","8.3":"1918","8":"780","9.3":"1500","9":"669","14.3":"1256","14":"839","22.3":"637","22":"549","24.3":"1469","24":"448","29.3":"567","29":"351","30.3":"1262","30":"1274","35.3":"980","35":"871","38.3":"847","38":"468","40.3":"1284","40":"1283","45.3":"1512","45":"1300","49.3":"678","49":"944","50.3":"890","50":"739","58.3":"1029","58":"799","61.3":"1087","61":"1117","64.3":"1989","64":"1423","66.3":"959","66":"955"},{"Metabolite":"lyxitol","10.3":"1128","10":"895","11.3":"2083","11":"954","12.3":"1388","12":"1292","2.3":"1254","2":"1466","20.3":"1072","20":"986","25.3":"1216","25":"709","36.3":"1026","36":"722","37.3":"1175","37":"1178","51.3":"1602","51":"972","59.3":"642","59":"2538","60.3":"942","60":"1092","62.3":"1171","62":"1491","63.6":"896","63":"1868","8.3":"1165","8":"859","9.3":"1894","9":"1639","14.3":"1209","14":"1424","22.3":"1011","22":"823","24.3":"1018","24":"1224","29.3":"1599","29":"1398","30.3":"1485","30":"856","35.3":"918","35":"1401","38.3":"1558","38":"1310","40.3":"883","40":"1245","45.3":"1152","45":"1450","49.3":"1008","49":"1053","50.3":"966","50":"1131","58.3":"775","58":"986","61.3":"754","61":"1002","64.3":"1264","64":"1424","66.3":"990","66":"931"},{"Metabolite":"lysine","10.3":"8052","10":"19177","11.3":"10106","11":"12945","12.3":"12005","12":"12643","2.3":"8633","2":"13215","20.3":"10451","20":"13209","25.3":"8682","25":"9357","36.3":"11184","36":"12409","37.3":"4002","37":"4156","51.3":"7592","51":"4614","59.3":"1815","59":"1682","60.3":"14949","60":"3202","62.3":"5495","62":"14880","63.6":"7644","63":"9690","8.3":"5853","8":"17068","9.3":"8780","9":"5784","14.3":"11872","14":"10473","22.3":"7294","22":"12060","24.3":"13102","24":"12518","29.3":"7505","29":"7061","30.3":"6932","30":"5862","35.3":"14328","35":"10378","38.3":"4212","38":"8776","40.3":"5736","40":"4345","45.3":"5258","45":"5661","49.3":"13206","49":"14321","50.3":"13355","50":"14226","58.3":"6135","58":"9644","61.3":"11578","61":"8102","64.3":"11069","64":"7143","66.3":"7759","66":"7517"},{"Metabolite":"linoleic acid","10.3":"851","10":"706","11.3":"713","11":"2968","12.3":"555","12":"1036","2.3":"2584","2":"1060","20.3":"1718","20":"707","25.3":"1736","25":"943","36.3":"1831","36":"847","37.3":"1586","37":"971","51.3":"974","51":"1128","59.3":"4315","59":"2732","60.3":"774","60":"1932","62.3":"754","62":"1300","63.6":"3005","63":"537","8.3":"3154","8":"976","9.3":"1636","9":"1421","14.3":"622","14":"345","22.3":"780","22":"1359","24.3":"967","24":"1922","29.3":"2373","29":"2370","30.3":"555","30":"3111","35.3":"994","35":"1161","38.3":"1928","38":"5543","40.3":"815","40":"909","45.3":"5486","45":"1666","49.3":"880","49":"1118","50.3":"1471","50":"1373","58.3":"1096","58":"1108","61.3":"548","61":"1844","64.3":"1426","64":"3047","66.3":"856","66":"601"},{"Metabolite":"levoglucosan","10.3":"626","10":"413","11.3":"6355","11":"578","12.3":"791","12":"514","2.3":"326","2":"216","20.3":"146","20":"445","25.3":"198","25":"1214","36.3":"690","36":"274","37.3":"184","37":"1480","51.3":"1254","51":"1339","59.3":"212","59":"2350","60.3":"854","60":"546","62.3":"496","62":"266","63.6":"459","63":"1094","8.3":"984","8":"713","9.3":"3309","9":"2059","14.3":"1020","14":"474","22.3":"290","22":"463","24.3":"444","24":"444","29.3":"1131","29":"550","30.3":"4474","30":"4525","35.3":"266","35":"656","38.3":"2422","38":"359","40.3":"456","40":"888","45.3":"421","45":"739","49.3":"223","49":"235","50.3":"538","50":"217","58.3":"283","58":"290","61.3":"296","61":"344","64.3":"433","64":"323","66.3":"416","66":"1563"},{"Metabolite":"leucine","10.3":"69068","10":"120132","11.3":"40666","11":"47539","12.3":"71513","12":"61905","2.3":"74151","2":"107732","20.3":"72996","20":"74297","25.3":"80854","25":"45504","36.3":"52274","36":"75353","37.3":"56414","37":"50453","51.3":"64727","51":"72662","59.3":"83546","59":"38828","60.3":"72878","60":"59947","62.3":"75704","62":"93126","63.6":"95297","63":"98098","8.3":"31816","8":"93881","9.3":"85934","9":"81601","14.3":"45217","14":"45747","22.3":"66740","22":"69490","24.3":"75883","24":"68293","29.3":"98816","29":"67906","30.3":"44472","30":"65463","35.3":"73293","35":"107390","38.3":"94615","38":"81148","40.3":"93868","40":"67642","45.3":"53967","45":"55150","49.3":"121325","49":"46032","50.3":"92974","50":"120714","58.3":"66838","58":"81041","61.3":"87848","61":"65477","64.3":"71340","64":"61678","66.3":"54904","66":"76921"},{"Metabolite":"lauric acid","10.3":"1616","10":"621","11.3":"1936","11":"2181","12.3":"1430","12":"1631","2.3":"1557","2":"1943","20.3":"1153","20":"1155","25.3":"2175","25":"1457","36.3":"5561","36":"1607","37.3":"2367","37":"1384","51.3":"2318","51":"3296","59.3":"2996","59":"3943","60.3":"1549","60":"1977","62.3":"1550","62":"1324","63.6":"2514","63":"1314","8.3":"2128","8":"1145","9.3":"1545","9":"1567","14.3":"1465","14":"1749","22.3":"1446","22":"1819","24.3":"684","24":"1855","29.3":"2420","29":"2553","30.3":"1126","30":"1459","35.3":"294","35":"1019","38.3":"2084","38":"5852","40.3":"1882","40":"2582","45.3":"5945","45":"2632","49.3":"1193","49":"1164","50.3":"1283","50":"3649","58.3":"2101","58":"1810","61.3":"1463","61":"1377","64.3":"1452","64":"1990","66.3":"1133","66":"728"},{"Metabolite":"lactic acid","10.3":"95428","10":"26128","11.3":"18202","11":"24730","12.3":"67894","12":"25996","2.3":"31789","2":"16918","20.3":"28998","20":"28248","25.3":"16467","25":"30102","36.3":"70563","36":"30977","37.3":"70862","37":"95451","51.3":"120860","51":"73371","59.3":"208124","59":"125802","60.3":"77003","60":"218721","62.3":"26801","62":"64241","63.6":"108534","63":"26715","8.3":"90036","8":"19070","9.3":"53916","9":"27539","14.3":"32506","14":"23536","22.3":"23731","22":"34991","24.3":"42109","24":"30410","29.3":"57898","29":"40585","30.3":"70419","30":"23074","35.3":"41137","35":"72010","38.3":"307279","38":"25896","40.3":"39973","40":"17457","45.3":"34021","45":"86188","49.3":"11785","49":"17286","50.3":"27135","50":"65831","58.3":"73946","58":"72335","61.3":"76846","61":"162275","64.3":"43440","64":"30356","66.3":"29013","66":"33868"},{"Metabolite":"lactamide","10.3":"393","10":"212","11.3":"241","11":"254","12.3":"309","12":"211","2.3":"398","2":"161","20.3":"199","20":"202","25.3":"257","25":"177","36.3":"534","36":"318","37.3":"498","37":"480","51.3":"770","51":"617","59.3":"593","59":"735","60.3":"218","60":"1186","62.3":"179","62":"553","63.6":"752","63":"155","8.3":"598","8":"181","9.3":"303","9":"383","14.3":"250","14":"309","22.3":"192","22":"364","24.3":"152","24":"283","29.3":"465","29":"322","30.3":"363","30":"362","35.3":"247","35":"401","38.3":"803","38":"267","40.3":"552","40":"870","45.3":"284","45":"899","49.3":"200","49":"212","50.3":"211","50":"421","58.3":"740","58":"285","61.3":"366","61":"1144","64.3":"344","64":"145","66.3":"287","66":"184"},{"Metabolite":"isothreonic acid","10.3":"741","10":"462","11.3":"940","11":"918","12.3":"1048","12":"1103","2.3":"647","2":"776","20.3":"755","20":"1020","25.3":"993","25":"685","36.3":"913","36":"697","37.3":"877","37":"820","51.3":"1052","51":"847","59.3":"519","59":"1037","60.3":"748","60":"776","62.3":"1330","62":"830","63.6":"463","63":"997","8.3":"851","8":"722","9.3":"1059","9":"803","14.3":"836","14":"1366","22.3":"673","22":"878","24.3":"384","24":"731","29.3":"612","29":"697","30.3":"926","30":"841","35.3":"687","35":"681","38.3":"762","38":"714","40.3":"609","40":"994","45.3":"693","45":"792","49.3":"697","49":"974","50.3":"691","50":"647","58.3":"508","58":"710","61.3":"615","61":"898","64.3":"700","64":"672","66.3":"623","66":"530"},{"Metabolite":"isoleucine","10.3":"28986","10":"41193","11.3":"15766","11":"21651","12.3":"37758","12":"22271","2.3":"29557","2":"46143","20.3":"31307","20":"42381","25.3":"30696","25":"18329","36.3":"28158","36":"27678","37.3":"21320","37":"21970","51.3":"33867","51":"30287","59.3":"21974","59":"16835","60.3":"32315","60":"30566","62.3":"25353","62":"40041","63.6":"30136","63":"47634","8.3":"16042","8":"39802","9.3":"35424","9":"35752","14.3":"20363","14":"20967","22.3":"28095","22":"30627","24.3":"26471","24":"31554","29.3":"31121","29":"27016","30.3":"20377","30":"29855","35.3":"26405","35":"35909","38.3":"31951","38":"22954","40.3":"44205","40":"27974","45.3":"20993","45":"28927","49.3":"44463","49":"22124","50.3":"40620","50":"49728","58.3":"29001","58":"38534","61.3":"36932","61":"30615","64.3":"34333","64":"26414","66.3":"23386","66":"26749"},{"Metabolite":"isocitric acid","10.3":"1209","10":"643","11.3":"1405","11":"980","12.3":"1341","12":"715","2.3":"908","2":"951","20.3":"1258","20":"901","25.3":"1106","25":"747","36.3":"1216","36":"947","37.3":"1316","37":"1350","51.3":"1331","51":"1510","59.3":"974","59":"1563","60.3":"638","60":"1942","62.3":"704","62":"1411","63.6":"909","63":"824","8.3":"923","8":"978","9.3":"1211","9":"925","14.3":"958","14":"879","22.3":"1329","22":"1089","24.3":"1100","24":"1088","29.3":"820","29":"717","30.3":"1420","30":"1121","35.3":"1346","35":"797","38.3":"976","38":"865","40.3":"1559","40":"1782","45.3":"1082","45":"1336","49.3":"888","49":"592","50.3":"1398","50":"701","58.3":"825","58":"1184","61.3":"1039","61":"834","64.3":"918","64":"445","66.3":"845","66":"824"},{"Metabolite":"inosine-5'-monophosphate","10.3":"209","10":"99","11.3":"199","11":"134","12.3":"338","12":"253","2.3":"212","2":"132","20.3":"88","20":"106","25.3":"123","25":"209","36.3":"247","36":"144","37.3":"194","37":"288","51.3":"202","51":"250","59.3":"390","59":"472","60.3":"300","60":"405","62.3":"202","62":"199","63.6":"313","63":"199","8.3":"132","8":"129","9.3":"177","9":"218","14.3":"215","14":"313","22.3":"92","22":"195","24.3":"95","24":"148","29.3":"186","29":"314","30.3":"188","30":"217","35.3":"201","35":"182","38.3":"167","38":"101","40.3":"176","40":"496","45.3":"79","45":"393","49.3":"224","49":"172","50.3":"206","50":"260","58.3":"244","58":"167","61.3":"494","61":"326","64.3":"97","64":"401","66.3":"102","66":"267"},{"Metabolite":"inosine","10.3":"105","10":"105","11.3":"138","11":"119","12.3":"130","12":"128","2.3":"97","2":"90","20.3":"143","20":"118","25.3":"148","25":"98","36.3":"275","36":"127","37.3":"76","37":"162","51.3":"564","51":"256","59.3":"45","59":"1408","60.3":"1084","60":"159","62.3":"204","62":"175","63.6":"213","63":"95","8.3":"130","8":"75","9.3":"71","9":"152","14.3":"124","14":"121","22.3":"63","22":"123","24.3":"84","24":"116","29.3":"78","29":"154","30.3":"93","30":"147","35.3":"126","35":"970","38.3":"130","38":"56","40.3":"280","40":"1428","45.3":"114","45":"2258","49.3":"81","49":"111","50.3":"115","50":"737","58.3":"1731","58":"301","61.3":"876","61":"765","64.3":"746","64":"72","66.3":"106","66":"131"},{"Metabolite":"indole-3-lactate","10.3":"631","10":"265","11.3":"609","11":"528","12.3":"630","12":"509","2.3":"1086","2":"803","20.3":"713","20":"367","25.3":"703","25":"359","36.3":"1094","36":"491","37.3":"308","37":"509","51.3":"636","51":"462","59.3":"347","59":"582","60.3":"455","60":"514","62.3":"304","62":"783","63.6":"368","63":"487","8.3":"557","8":"390","9.3":"375","9":"700","14.3":"661","14":"656","22.3":"669","22":"537","24.3":"392","24":"379","29.3":"319","29":"422","30.3":"880","30":"527","35.3":"429","35":"787","38.3":"357","38":"371","40.3":"576","40":"520","45.3":"390","45":"1003","49.3":"1034","49":"148","50.3":"516","50":"518","58.3":"354","58":"441","61.3":"431","61":"885","64.3":"1156","64":"480","66.3":"432","66":"345"},{"Metabolite":"indole-3-acetate","10.3":"639","10":"300","11.3":"410","11":"211","12.3":"1726","12":"672","2.3":"610","2":"799","20.3":"591","20":"529","25.3":"461","25":"260","36.3":"1525","36":"556","37.3":"514","37":"587","51.3":"993","51":"702","59.3":"249","59":"873","60.3":"558","60":"568","62.3":"1071","62":"954","63.6":"785","63":"613","8.3":"564","8":"331","9.3":"702","9":"877","14.3":"733","14":"782","22.3":"642","22":"985","24.3":"522","24":"393","29.3":"630","29":"443","30.3":"1067","30":"1130","35.3":"1132","35":"966","38.3":"455","38":"363","40.3":"830","40":"866","45.3":"695","45":"641","49.3":"1193","49":"552","50.3":"760","50":"480","58.3":"428","58":"701","61.3":"355","61":"585","64.3":"1029","64":"454","66.3":"522","66":"438"},{"Metabolite":"hypoxanthine","10.3":"242","10":"214","11.3":"793","11":"422","12.3":"813","12":"524","2.3":"917","2":"317","20.3":"530","20":"595","25.3":"702","25":"379","36.3":"3588","36":"432","37.3":"1053","37":"3678","51.3":"24042","51":"3705","59.3":"31287","59":"21474","60.3":"10773","60":"3386","62.3":"338","62":"12200","63.6":"18826","63":"338","8.3":"570","8":"251","9.3":"647","9":"354","14.3":"482","14":"339","22.3":"274","22":"198","24.3":"516","24":"2179","29.3":"2113","29":"602","30.3":"1304","30":"1323","35.3":"3318","35":"20660","38.3":"14751","38":"565","40.3":"8082","40":"22904","45.3":"1115","45":"38905","49.3":"456","49":"218","50.3":"280","50":"22169","58.3":"30730","58":"3139","61.3":"15941","61":"32419","64.3":"13141","64":"1042","66.3":"366","66":"370"},{"Metabolite":"hydroxycarbamate NIST","10.3":"2809","10":"3302","11.3":"7080","11":"7704","12.3":"5860","12":"6077","2.3":"3448","2":"4929","20.3":"2699","20":"3190","25.3":"5639","25":"3234","36.3":"5702","36":"5986","37.3":"5528","37":"1375","51.3":"4261","51":"6389","59.3":"1904","59":"7754","60.3":"5871","60":"6020","62.3":"3053","62":"2747","63.6":"2039","63":"2853","8.3":"4917","8":"5783","9.3":"5256","9":"5450","14.3":"4529","14":"3065","22.3":"5983","22":"3593","24.3":"6441","24":"3339","29.3":"2791","29":"2436","30.3":"3587","30":"5121","35.3":"5491","35":"3673","38.3":"1517","38":"4634","40.3":"4198","40":"8134","45.3":"4605","45":"5279","49.3":"3774","49":"4382","50.3":"3255","50":"4468","58.3":"5075","58":"2520","61.3":"4669","61":"3979","64.3":"4157","64":"5562","66.3":"5507","66":"4386"},{"Metabolite":"hippuric acid","10.3":"452","10":"487","11.3":"1725","11":"166","12.3":"917","12":"1081","2.3":"244","2":"579","20.3":"679","20":"501","25.3":"510","25":"418","36.3":"387","36":"1875","37.3":"851","37":"931","51.3":"910","51":"771","59.3":"285","59":"883","60.3":"273","60":"1464","62.3":"172","62":"560","63.6":"289","63":"919","8.3":"276","8":"363","9.3":"952","9":"1076","14.3":"909","14":"3837","22.3":"488","22":"235","24.3":"573","24":"296","29.3":"408","29":"272","30.3":"1188","30":"273","35.3":"749","35":"279","38.3":"649","38":"315","40.3":"715","40":"879","45.3":"934","45":"687","49.3":"408","49":"183","50.3":"285","50":"281","58.3":"357","58":"749","61.3":"2084","61":"347","64.3":"214","64":"462","66.3":"828","66":"339"},{"Metabolite":"hexuronic acid","10.3":"433","10":"335","11.3":"486","11":"343","12.3":"664","12":"410","2.3":"431","2":"401","20.3":"482","20":"482","25.3":"463","25":"480","36.3":"479","36":"471","37.3":"402","37":"102","51.3":"263","51":"564","59.3":"112","59":"590","60.3":"338","60":"530","62.3":"794","62":"393","63.6":"264","63":"379","8.3":"715","8":"502","9.3":"355","9":"469","14.3":"576","14":"551","22.3":"437","22":"774","24.3":"351","24":"449","29.3":"415","29":"407","30.3":"482","30":"580","35.3":"486","35":"283","38.3":"121","38":"445","40.3":"353","40":"432","45.3":"383","45":"279","49.3":"409","49":"556","50.3":"422","50":"311","58.3":"444","58":"450","61.3":"318","61":"486","64.3":"479","64":"565","66.3":"316","66":"680"},{"Metabolite":"hexitol","10.3":"475","10":"393","11.3":"1034","11":"502","12.3":"361","12":"668","2.3":"565","2":"537","20.3":"1122","20":"248","25.3":"385","25":"457","36.3":"592","36":"742","37.3":"750","37":"562","51.3":"728","51":"656","59.3":"269","59":"478","60.3":"190","60":"690","62.3":"546","62":"553","63.6":"470","63":"417","8.3":"456","8":"413","9.3":"411","9":"622","14.3":"646","14":"703","22.3":"274","22":"446","24.3":"572","24":"367","29.3":"834","29":"367","30.3":"759","30":"558","35.3":"269","35":"345","38.3":"251","38":"611","40.3":"452","40":"499","45.3":"547","45":"791","49.3":"176","49":"768","50.3":"213","50":"794","58.3":"274","58":"433","61.3":"495","61":"382","64.3":"1271","64":"727","66.3":"251","66":"229"},{"Metabolite":"heptadecanoic acid","10.3":"831","10":"646","11.3":"1028","11":"1479","12.3":"581","12":"1191","2.3":"1307","2":"1463","20.3":"1100","20":"770","25.3":"952","25":"1178","36.3":"1422","36":"1175","37.3":"854","37":"911","51.3":"781","51":"1411","59.3":"1305","59":"1898","60.3":"1064","60":"1269","62.3":"1028","62":"1010","63.6":"1363","63":"767","8.3":"1175","8":"986","9.3":"1471","9":"771","14.3":"708","14":"730","22.3":"836","22":"1124","24.3":"760","24":"872","29.3":"894","29":"875","30.3":"779","30":"2002","35.3":"895","35":"709","38.3":"624","38":"2161","40.3":"896","40":"1095","45.3":"2155","45":"1464","49.3":"780","49":"1307","50.3":"755","50":"1107","58.3":"1226","58":"519","61.3":"907","61":"1451","64.3":"1180","64":"88","66.3":"616","66":"862"},{"Metabolite":"glycolic acid","10.3":"1348","10":"1198","11.3":"2969","11":"1603","12.3":"1233","12":"1486","2.3":"1256","2":"1413","20.3":"1450","20":"918","25.3":"1128","25":"1222","36.3":"1801","36":"1107","37.3":"1294","37":"1538","51.3":"1463","51":"2039","59.3":"537","59":"2300","60.3":"1183","60":"1414","62.3":"2323","62":"1595","63.6":"889","63":"1247","8.3":"1575","8":"1148","9.3":"1839","9":"1833","14.3":"2091","14":"1563","22.3":"1231","22":"1942","24.3":"1229","24":"1372","29.3":"1466","29":"1345","30.3":"1960","30":"2018","35.3":"1283","35":"1457","38.3":"1126","38":"960","40.3":"1233","40":"2385","45.3":"2176","45":"1795","49.3":"979","49":"1191","50.3":"1475","50":"1235","58.3":"1390","58":"1424","61.3":"1397","61":"1483","64.3":"1428","64":"1245","66.3":"1346","66":"1187"},{"Metabolite":"glycine","10.3":"21384","10":"25764","11.3":"40430","11":"33094","12.3":"29687","12":"15506","2.3":"12998","2":"15137","20.3":"18789","20":"17577","25.3":"24901","25":"19067","36.3":"24498","36":"22060","37.3":"29061","37":"43536","51.3":"25346","51":"14078","59.3":"17990","59":"15070","60.3":"19537","60":"16391","62.3":"19373","62":"35302","63.6":"34477","63":"18280","8.3":"18134","8":"21035","9.3":"20865","9":"27661","14.3":"35922","14":"33272","22.3":"30883","22":"27201","24.3":"31689","24":"47609","29.3":"47579","29":"37515","30.3":"34975","30":"18355","35.3":"27141","35":"26547","38.3":"49307","38":"22279","40.3":"24872","40":"25992","45.3":"20431","45":"23328","49.3":"21078","49":"42894","50.3":"34131","50":"21306","58.3":"29447","58":"33392","61.3":"29028","61":"30727","64.3":"20203","64":"21470","66.3":"21844","66":"23051"},{"Metabolite":"glycerol-alpha-phosphate","10.3":"309","10":"313","11.3":"766","11":"516","12.3":"667","12":"416","2.3":"366","2":"428","20.3":"261","20":"484","25.3":"543","25":"981","36.3":"528","36":"478","37.3":"492","37":"510","51.3":"550","51":"231","59.3":"474","59":"537","60.3":"353","60":"295","62.3":"372","62":"409","63.6":"279","63":"281","8.3":"341","8":"331","9.3":"477","9":"756","14.3":"593","14":"483","22.3":"359","22":"773","24.3":"379","24":"193","29.3":"439","29":"260","30.3":"377","30":"295","35.3":"278","35":"409","38.3":"531","38":"231","40.3":"483","40":"757","45.3":"264","45":"852","49.3":"478","49":"279","50.3":"484","50":"370","58.3":"436","58":"287","61.3":"515","61":"361","64.3":"454","64":"374","66.3":"308","66":"364"},{"Metabolite":"glycerol","10.3":"21286","10":"17815","11.3":"13194","11":"34772","12.3":"13697","12":"15867","2.3":"50425","2":"34123","20.3":"18290","20":"12138","25.3":"28826","25":"17610","36.3":"24466","36":"9542","37.3":"40008","37":"20387","51.3":"32875","51":"25240","59.3":"34067","59":"39219","60.3":"715","60":"14157","62.3":"17612","62":"12380","63.6":"34048","63":"15536","8.3":"73387","8":"25663","9.3":"19501","9":"29573","14.3":"11123","14":"11750","22.3":"20704","22":"22892","24.3":"17538","24":"21083","29.3":"22973","29":"27986","30.3":"22791","30":"26636","35.3":"17909","35":"21976","38.3":"18385","38":"35299","40.3":"19590","40":"21314","45.3":"46743","45":"28536","49.3":"10108","49":"11262","50.3":"31275","50":"19543","58.3":"21725","58":"23454","61.3":"15244","61":"31131","64.3":"24793","64":"25462","66.3":"14008","66":"10160"},{"Metabolite":"glyceric acid","10.3":"2617","10":"2627","11.3":"6129","11":"3629","12.3":"2355","12":"2629","2.3":"1991","2":"1488","20.3":"2833","20":"2723","25.3":"2591","25":"1908","36.3":"2067","36":"2085","37.3":"3066","37":"2719","51.3":"3905","51":"1543","59.3":"3469","59":"2037","60.3":"1365","60":"2925","62.3":"2327","62":"1841","63.6":"2670","63":"1798","8.3":"3265","8":"1534","9.3":"3886","9":"7276","14.3":"4474","14":"4388","22.3":"3143","22":"2326","24.3":"2608","24":"3511","29.3":"3497","29":"3321","30.3":"2460","30":"3282","35.3":"2447","35":"2263","38.3":"4740","38":"3184","40.3":"2068","40":"2446","45.3":"2922","45":"3110","49.3":"3247","49":"2701","50.3":"2460","50":"2409","58.3":"1850","58":"2881","61.3":"3316","61":"2996","64.3":"2803","64":"4833","66.3":"2122","66":"2154"},{"Metabolite":"glutamine","10.3":"16737","10":"27508","11.3":"18347","11":"23389","12.3":"16800","12":"14351","2.3":"16805","2":"20278","20.3":"25029","20":"15546","25.3":"19483","25":"25243","36.3":"27397","36":"19366","37.3":"12007","37":"17874","51.3":"28699","51":"5356","59.3":"3997","59":"4830","60.3":"30904","60":"4722","62.3":"16896","62":"28601","63.6":"26639","63":"20800","8.3":"20364","8":"28704","9.3":"10315","9":"10742","14.3":"26838","14":"21647","22.3":"20898","22":"22688","24.3":"31541","24":"41516","29.3":"33622","29":"19060","30.3":"27051","30":"14021","35.3":"27238","35":"37235","38.3":"19075","38":"29182","40.3":"18476","40":"12909","45.3":"12369","45":"11140","49.3":"25159","49":"46417","50.3":"37112","50":"22992","58.3":"13268","58":"33666","61.3":"22485","61":"18291","64.3":"28367","64":"22973","66.3":"32178","66":"24228"},{"Metabolite":"glutamic acid","10.3":"7259","10":"8025","11.3":"9178","11":"8320","12.3":"12809","12":"11696","2.3":"9164","2":"7265","20.3":"10368","20":"13185","25.3":"11630","25":"14484","36.3":"7477","36":"8978","37.3":"9691","37":"12968","51.3":"11182","51":"5882","59.3":"8517","59":"5238","60.3":"5650","60":"7777","62.3":"6626","62":"8090","63.6":"10446","63":"10537","8.3":"3463","8":"7506","9.3":"8119","9":"17966","14.3":"7906","14":"15217","22.3":"8645","22":"14579","24.3":"10546","24":"10519","29.3":"10555","29":"24444","30.3":"7252","30":"7628","35.3":"5346","35":"9286","38.3":"10441","38":"5805","40.3":"6509","40":"9898","45.3":"4223","45":"21713","49.3":"8888","49":"4867","50.3":"5350","50":"11504","58.3":"7826","58":"4191","61.3":"11490","61":"18019","64.3":"12417","64":"12058","66.3":"5533","66":"4415"},{"Metabolite":"glucose","10.3":"380407","10":"210133","11.3":"247577","11":"266077","12.3":"357498","12":"315416","2.3":"272345","2":"248202","20.3":"326046","20":"351623","25.3":"276524","25":"456838","36.3":"185271","36":"263174","37.3":"191962","37":"234449","51.3":"116929","51":"177363","59.3":"216","59":"212227","60.3":"212484","60":"80220","62.3":"255780","62":"155641","63.6":"132893","63":"366156","8.3":"327546","8":"260837","9.3":"212567","9":"315276","14.3":"398526","14":"369432","22.3":"275442","22":"305749","24.3":"248662","24":"298540","29.3":"122805","29":"245932","30.3":"247390","30":"268003","35.3":"267103","35":"157145","38.3":"26190","38":"250687","40.3":"176787","40":"209969","45.3":"254980","45":"98333","49.3":"242457","49":"211127","50.3":"249810","50":"181110","58.3":"224685","58":"294232","61.3":"138576","61":"194150","64.3":"267794","64":"335360","66.3":"295550","66":"388438"},{"Metabolite":"gluconic acid","10.3":"391","10":"253","11.3":"362","11":"273","12.3":"258","12":"241","2.3":"221","2":"294","20.3":"301","20":"264","25.3":"233","25":"130","36.3":"206","36":"248","37.3":"216","37":"247","51.3":"321","51":"230","59.3":"73","59":"212","60.3":"177","60":"123","62.3":"240","62":"144","63.6":"261","63":"230","8.3":"375","8":"332","9.3":"195","9":"344","14.3":"258","14":"218","22.3":"260","22":"173","24.3":"301","24":"215","29.3":"418","29":"307","30.3":"168","30":"235","35.3":"263","35":"178","38.3":"273","38":"172","40.3":"220","40":"242","45.3":"171","45":"250","49.3":"246","49":"260","50.3":"134","50":"162","58.3":"122","58":"257","61.3":"169","61":"348","64.3":"397","64":"279","66.3":"287","66":"239"},{"Metabolite":"galactonic acid","10.3":"178","10":"152","11.3":"571","11":"470","12.3":"385","12":"359","2.3":"283","2":"140","20.3":"473","20":"385","25.3":"263","25":"224","36.3":"422","36":"505","37.3":"352","37":"427","51.3":"367","51":"360","59.3":"85","59":"428","60.3":"389","60":"409","62.3":"335","62":"362","63.6":"110","63":"331","8.3":"462","8":"428","9.3":"311","9":"74","14.3":"400","14":"328","22.3":"285","22":"294","24.3":"341","24":"340","29.3":"232","29":"160","30.3":"479","30":"369","35.3":"444","35":"217","38.3":"250","38":"259","40.3":"327","40":"460","45.3":"203","45":"287","49.3":"267","49":"286","50.3":"230","50":"284","58.3":"218","58":"276","61.3":"334","61":"270","64.3":"142","64":"384","66.3":"324","66":"289"},{"Metabolite":"fumaric acid","10.3":"652","10":"565","11.3":"1170","11":"1049","12.3":"756","12":"974","2.3":"771","2":"898","20.3":"712","20":"813","25.3":"811","25":"726","36.3":"1196","36":"963","37.3":"826","37":"506","51.3":"820","51":"1683","59.3":"790","59":"1155","60.3":"846","60":"1046","62.3":"870","62":"801","63.6":"716","63":"619","8.3":"777","8":"726","9.3":"452","9":"1035","14.3":"807","14":"741","22.3":"728","22":"847","24.3":"849","24":"695","29.3":"663","29":"603","30.3":"1033","30":"832","35.3":"965","35":"689","38.3":"572","38":"685","40.3":"789","40":"1025","45.3":"992","45":"1107","49.3":"626","49":"817","50.3":"618","50":"987","58.3":"736","58":"805","61.3":"959","61":"729","64.3":"1041","64":"900","66.3":"721","66":"634"},{"Metabolite":"fucose","10.3":"301","10":"122","11.3":"144","11":"342","12.3":"256","12":"270","2.3":"231","2":"216","20.3":"250","20":"133","25.3":"179","25":"69","36.3":"121","36":"128","37.3":"233","37":"355","51.3":"228","51":"129","59.3":"168","59":"293","60.3":"195","60":"249","62.3":"572","62":"205","63.6":"250","63":"158","8.3":"446","8":"127","9.3":"277","9":"334","14.3":"110","14":"344","22.3":"347","22":"86","24.3":"175","24":"255","29.3":"225","29":"367","30.3":"308","30":"194","35.3":"273","35":"174","38.3":"127","38":"201","40.3":"186","40":"278","45.3":"207","45":"539","49.3":"77","49":"482","50.3":"88","50":"279","58.3":"179","58":"346","61.3":"212","61":"278","64.3":"210","64":"314","66.3":"285","66":"201"},{"Metabolite":"fructose","10.3":"4199","10":"1928","11.3":"23965","11":"929","12.3":"13397","12":"12736","2.3":"679","2":"3649","20.3":"853","20":"2008","25.3":"1370","25":"4414","36.3":"3668","36":"26551","37.3":"6238","37":"9986","51.3":"8172","51":"8723","59.3":"613","59":"2133","60.3":"1223","60":"21843","62.3":"1795","62":"2685","63.6":"1627","63":"7593","8.3":"2005","8":"3072","9.3":"14723","9":"11976","14.3":"7757","14":"56685","22.3":"2721","22":"1011","24.3":"2165","24":"776","29.3":"5049","29":"2652","30.3":"19211","30":"2264","35.3":"5800","35":"2231","38.3":"8672","38":"656","40.3":"1696","40":"10198","45.3":"1401","45":"5953","49.3":"5596","49":"774","50.3":"895","50":"2952","58.3":"2964","58":"9871","61.3":"38665","61":"4796","64.3":"926","64":"2495","66.3":"8145","66":"2400"},{"Metabolite":"ethanolamine","10.3":"2828","10":"3632","11.3":"4540","11":"5423","12.3":"5412","12":"3977","2.3":"5262","2":"4464","20.3":"3802","20":"3930","25.3":"4863","25":"3001","36.3":"5725","36":"3929","37.3":"3808","37":"2176","51.3":"4920","51":"5440","59.3":"3624","59":"3317","60.3":"5946","60":"4956","62.3":"3322","62":"4470","63.6":"4833","63":"2760","8.3":"5351","8":"4364","9.3":"2829","9":"4179","14.3":"3726","14":"3978","22.3":"5634","22":"5192","24.3":"3742","24":"3012","29.3":"3238","29":"2857","30.3":"3512","30":"3071","35.3":"5778","35":"4223","38.3":"2680","38":"3071","40.3":"4791","40":"4811","45.3":"4119","45":"4044","49.3":"5071","49":"3208","50.3":"4567","50":"4345","58.3":"5802","58":"3214","61.3":"7278","61":"4498","64.3":"5065","64":"3828","66.3":"3940","66":"3088"},{"Metabolite":"erythritol","10.3":"1110","10":"910","11.3":"1322","11":"1005","12.3":"1570","12":"1465","2.3":"1182","2":"1030","20.3":"1341","20":"1128","25.3":"1599","25":"927","36.3":"1054","36":"893","37.3":"1620","37":"1279","51.3":"1589","51":"1183","59.3":"715","59":"1358","60.3":"1114","60":"1529","62.3":"1655","62":"1752","63.6":"872","63":"1745","8.3":"1115","8":"858","9.3":"1747","9":"1294","14.3":"1507","14":"2434","22.3":"1413","22":"918","24.3":"1145","24":"1127","29.3":"1295","29":"1328","30.3":"1665","30":"1005","35.3":"930","35":"1289","38.3":"1886","38":"1261","40.3":"1081","40":"1860","45.3":"1488","45":"1685","49.3":"911","49":"1089","50.3":"889","50":"1113","58.3":"1077","58":"1182","61.3":"940","61":"1232","64.3":"1475","64":"1137","66.3":"1287","66":"1043"},{"Metabolite":"cystine","10.3":"2816","10":"2926","11.3":"1743","11":"2272","12.3":"1043","12":"3548","2.3":"5629","2":"4420","20.3":"4958","20":"2242","25.3":"610","25":"1661","36.3":"3713","36":"3417","37.3":"246","37":"2277","51.3":"2460","51":"296","59.3":"183","59":"542","60.3":"4478","60":"424","62.3":"4206","62":"3572","63.6":"1994","63":"6749","8.3":"4358","8":"3476","9.3":"481","9":"341","14.3":"2008","14":"2410","22.3":"343","22":"3202","24.3":"3182","24":"3508","29.3":"2629","29":"2712","30.3":"4032","30":"1731","35.3":"2455","35":"2755","38.3":"308","38":"4733","40.3":"291","40":"340","45.3":"1915","45":"1558","49.3":"1620","49":"3918","50.3":"1999","50":"1887","58.3":"334","58":"3844","61.3":"1286","61":"5783","64.3":"3481","64":"1249","66.3":"2580","66":"1471"},{"Metabolite":"cysteine","10.3":"424","10":"1004","11.3":"496","11":"576","12.3":"365","12":"390","2.3":"1196","2":"1022","20.3":"848","20":"391","25.3":"1640","25":"1105","36.3":"781","36":"1176","37.3":"1341","37":"341","51.3":"462","51":"424","59.3":"1602","59":"333","60.3":"583","60":"741","62.3":"1007","62":"415","63.6":"991","63":"514","8.3":"616","8":"1359","9.3":"604","9":"275","14.3":"710","14":"799","22.3":"1722","22":"609","24.3":"1292","24":"1028","29.3":"1304","29":"1300","30.3":"844","30":"399","35.3":"1056","35":"1312","38.3":"948","38":"1634","40.3":"599","40":"454","45.3":"707","45":"1135","49.3":"697","49":"1028","50.3":"1251","50":"407","58.3":"360","58":"671","61.3":"1005","61":"585","64.3":"532","64":"445","66.3":"1406","66":"1044"},{"Metabolite":"creatinine","10.3":"6576","10":"6721","11.3":"4482","11":"2943","12.3":"3237","12":"3872","2.3":"5998","2":"4427","20.3":"6620","20":"4609","25.3":"4200","25":"3127","36.3":"6839","36":"3006","37.3":"2535","37":"7662","51.3":"6579","51":"2143","59.3":"1889","59":"2287","60.3":"3855","60":"1876","62.3":"5992","62":"8715","63.6":"5243","63":"15375","8.3":"4057","8":"4232","9.3":"1959","9":"3198","14.3":"4362","14":"7983","22.3":"2911","22":"6440","24.3":"3429","24":"6190","29.3":"4762","29":"5784","30.3":"4721","30":"4802","35.3":"3567","35":"5871","38.3":"5321","38":"4010","40.3":"3314","40":"2148","45.3":"3222","45":"4515","49.3":"5358","49":"4966","50.3":"7582","50":"3845","58.3":"1669","58":"7041","61.3":"3000","61":"8513","64.3":"5533","64":"2751","66.3":"2952","66":"2871"},{"Metabolite":"conduritol-beta-expoxide","10.3":"174","10":"131","11.3":"407","11":"164","12.3":"314","12":"126","2.3":"375","2":"358","20.3":"575","20":"287","25.3":"384","25":"140","36.3":"326","36":"249","37.3":"221","37":"153","51.3":"215","51":"695","59.3":"272","59":"583","60.3":"306","60":"310","62.3":"390","62":"173","63.6":"214","63":"172","8.3":"156","8":"301","9.3":"223","9":"250","14.3":"416","14":"375","22.3":"239","22":"200","24.3":"189","24":"242","29.3":"281","29":"316","30.3":"266","30":"190","35.3":"293","35":"129","38.3":"284","38":"202","40.3":"228","40":"481","45.3":"307","45":"214","49.3":"392","49":"104","50.3":"219","50":"316","58.3":"175","58":"547","61.3":"458","61":"347","64.3":"456","64":"316","66.3":"178","66":"260"},{"Metabolite":"citrulline","10.3":"1151","10":"1349","11.3":"1463","11":"1364","12.3":"2044","12":"1232","2.3":"1249","2":"1094","20.3":"1355","20":"1492","25.3":"1606","25":"1582","36.3":"1331","36":"799","37.3":"1259","37":"998","51.3":"1465","51":"794","59.3":"332","59":"957","60.3":"1727","60":"989","62.3":"1280","62":"1239","63.6":"695","63":"935","8.3":"1006","8":"1294","9.3":"999","9":"1209","14.3":"1525","14":"1181","22.3":"1351","22":"1387","24.3":"1292","24":"1236","29.3":"1057","29":"1072","30.3":"1563","30":"1173","35.3":"1030","35":"1292","38.3":"676","38":"1191","40.3":"1161","40":"1176","45.3":"1341","45":"1586","49.3":"1448","49":"1898","50.3":"1411","50":"1575","58.3":"917","58":"1136","61.3":"1499","61":"874","64.3":"1080","64":"1051","66.3":"1213","66":"1275"},{"Metabolite":"citric acid","10.3":"31143","10":"19647","11.3":"31767","11":"30850","12.3":"30648","12":"21906","2.3":"29338","2":"21184","20.3":"29430","20":"20853","25.3":"26804","25":"16749","36.3":"27408","36":"18777","37.3":"31435","37":"23901","51.3":"28815","51":"37254","59.3":"19198","59":"36306","60.3":"18346","60":"32886","62.3":"17076","62":"33856","63.6":"25771","63":"13916","8.3":"27412","8":"23467","9.3":"26167","9":"25453","14.3":"27178","14":"19311","22.3":"42866","22":"23824","24.3":"35251","24":"22346","29.3":"24931","29":"19568","30.3":"37660","30":"31803","35.3":"33399","35":"19996","38.3":"23950","38":"25340","40.3":"39857","40":"32518","45.3":"34075","45":"32169","49.3":"24144","49":"22990","50.3":"30924","50":"15148","58.3":"20523","58":"32322","61.3":"23527","61":"15398","64.3":"21042","64":"25957","66.3":"35852","66":"19675"},{"Metabolite":"cholesterol","10.3":"76752","10":"63280","11.3":"117733","11":"66770","12.3":"68070","12":"83501","2.3":"83165","2":"84390","20.3":"101572","20":"60654","25.3":"118900","25":"62566","36.3":"143463","36":"92481","37.3":"95289","37":"123860","51.3":"121788","51":"123326","59.3":"38717","59":"107584","60.3":"88580","60":"85015","62.3":"84023","62":"89049","63.6":"74042","63":"85827","8.3":"91940","8":"61353","9.3":"83120","9":"78478","14.3":"73996","14":"88925","22.3":"64782","22":"87586","24.3":"79089","24":"54299","29.3":"75331","29":"90871","30.3":"98921","30":"92843","35.3":"77851","35":"70860","38.3":"63889","38":"84191","40.3":"74123","40":"111317","45.3":"83097","45":"149668","49.3":"59300","49":"101227","50.3":"69496","50":"84925","58.3":"68385","58":"84141","61.3":"66677","61":"94538","64.3":"93684","64":"84583","66.3":"67076","66":"58888"},{"Metabolite":"capric acid","10.3":"427","10":"318","11.3":"452","11":"498","12.3":"371","12":"421","2.3":"283","2":"376","20.3":"195","20":"212","25.3":"272","25":"150","36.3":"581","36":"470","37.3":"258","37":"169","51.3":"292","51":"748","59.3":"399","59":"513","60.3":"197","60":"172","62.3":"181","62":"264","63.6":"446","63":"238","8.3":"310","8":"254","9.3":"387","9":"500","14.3":"478","14":"443","22.3":"346","22":"353","24.3":"300","24":"285","29.3":"195","29":"241","30.3":"479","30":"646","35.3":"218","35":"242","38.3":"380","38":"659","40.3":"318","40":"244","45.3":"461","45":"339","49.3":"236","49":"523","50.3":"269","50":"478","58.3":"155","58":"468","61.3":"380","61":"751","64.3":"277","64":"536","66.3":"179","66":"186"},{"Metabolite":"beta-alanine","10.3":"158","10":"242","11.3":"315","11":"351","12.3":"455","12":"259","2.3":"247","2":"516","20.3":"236","20":"182","25.3":"208","25":"275","36.3":"207","36":"282","37.3":"329","37":"215","51.3":"374","51":"297","59.3":"170","59":"363","60.3":"192","60":"373","62.3":"169","62":"218","63.6":"243","63":"564","8.3":"199","8":"652","9.3":"185","9":"211","14.3":"333","14":"289","22.3":"214","22":"276","24.3":"404","24":"109","29.3":"311","29":"355","30.3":"179","30":"195","35.3":"294","35":"290","38.3":"143","38":"276","40.3":"396","40":"275","45.3":"267","45":"401","49.3":"453","49":"269","50.3":"266","50":"179","58.3":"220","58":"376","61.3":"278","61":"246","64.3":"283","64":"227","66.3":"135","66":"409"},{"Metabolite":"benzylalcohol","10.3":"2505","10":"838","11.3":"1657","11":"723","12.3":"3439","12":"1123","2.3":"624","2":"1080","20.3":"643","20":"722","25.3":"1217","25":"629","36.3":"2329","36":"1465","37.3":"2169","37":"1058","51.3":"1581","51":"2726","59.3":"1111","59":"2737","60.3":"577","60":"1150","62.3":"1349","62":"899","63.6":"1008","63":"1841","8.3":"1463","8":"875","9.3":"750","9":"912","14.3":"992","14":"1398","22.3":"810","22":"986","24.3":"1099","24":"1326","29.3":"586","29":"740","30.3":"1882","30":"3114","35.3":"1172","35":"1635","38.3":"1018","38":"1218","40.3":"1039","40":"3387","45.3":"2069","45":"2341","49.3":"1545","49":"603","50.3":"1086","50":"1243","58.3":"784","58":"805","61.3":"832","61":"1005","64.3":"895","64":"942","66.3":"841","66":"625"},{"Metabolite":"aspartic acid","10.3":"1655","10":"1749","11.3":"1944","11":"1093","12.3":"4905","12":"1734","2.3":"1400","2":"770","20.3":"1447","20":"2454","25.3":"2741","25":"2700","36.3":"1482","36":"1332","37.3":"1915","37":"3114","51.3":"3160","51":"752","59.3":"3401","59":"1820","60.3":"2554","60":"1988","62.3":"2116","62":"1685","63.6":"3629","63":"1660","8.3":"906","8":"1451","9.3":"1487","9":"2404","14.3":"3165","14":"4323","22.3":"2340","22":"3121","24.3":"1646","24":"1969","29.3":"4543","29":"3848","30.3":"1460","30":"1565","35.3":"1286","35":"2660","38.3":"2760","38":"1071","40.3":"2180","40":"2758","45.3":"741","45":"3013","49.3":"2628","49":"1279","50.3":"1942","50":"4260","58.3":"1991","58":"854","61.3":"4313","61":"3343","64.3":"1933","64":"2540","66.3":"2046","66":"1616"},{"Metabolite":"asparagine","10.3":"809","10":"1057","11.3":"1008","11":"985","12.3":"1129","12":"759","2.3":"803","2":"737","20.3":"1213","20":"773","25.3":"941","25":"779","36.3":"1409","36":"770","37.3":"554","37":"1003","51.3":"1471","51":"537","59.3":"214","59":"707","60.3":"804","60":"515","62.3":"967","62":"974","63.6":"741","63":"970","8.3":"1114","8":"1424","9.3":"765","9":"859","14.3":"890","14":"1268","22.3":"1034","22":"1272","24.3":"729","24":"1225","29.3":"977","29":"821","30.3":"924","30":"729","35.3":"945","35":"1005","38.3":"1447","38":"724","40.3":"557","40":"620","45.3":"638","45":"778","49.3":"927","49":"1034","50.3":"1716","50":"572","58.3":"412","58":"1316","61.3":"974","61":"1392","64.3":"622","64":"873","66.3":"1152","66":"776"},{"Metabolite":"arachidonic acid","10.3":"842","10":"661","11.3":"1441","11":"1493","12.3":"1196","12":"791","2.3":"928","2":"904","20.3":"925","20":"871","25.3":"936","25":"1305","36.3":"1837","36":"894","37.3":"1646","37":"595","51.3":"1018","51":"762","59.3":"885","59":"1167","60.3":"1466","60":"1156","62.3":"963","62":"998","63.6":"939","63":"523","8.3":"923","8":"629","9.3":"1847","9":"816","14.3":"890","14":"672","22.3":"731","22":"2387","24.3":"1282","24":"413","29.3":"566","29":"692","30.3":"1121","30":"1486","35.3":"998","35":"927","38.3":"333","38":"944","40.3":"774","40":"1947","45.3":"1470","45":"1162","49.3":"983","49":"449","50.3":"907","50":"1207","58.3":"731","58":"965","61.3":"1627","61":"741","64.3":"1214","64":"2126","66.3":"756","66":"747"},{"Metabolite":"arachidic acid","10.3":"1169","10":"695","11.3":"1260","11":"1315","12.3":"1268","12":"1549","2.3":"918","2":"1380","20.3":"2154","20":"1846","25.3":"1022","25":"982","36.3":"1684","36":"1558","37.3":"544","37":"1359","51.3":"1372","51":"1492","59.3":"637","59":"1837","60.3":"1106","60":"1736","62.3":"1498","62":"1144","63.6":"568","63":"1020","8.3":"1215","8":"761","9.3":"1310","9":"1217","14.3":"925","14":"1917","22.3":"1089","22":"1395","24.3":"1458","24":"1228","29.3":"994","29":"921","30.3":"1214","30":"3400","35.3":"785","35":"130","38.3":"745","38":"1532","40.3":"792","40":"1580","45.3":"1354","45":"1744","49.3":"627","49":"1259","50.3":"329","50":"886","58.3":"1096","58":"1017","61.3":"1217","61":"1461","64.3":"1087","64":"1381","66.3":"1480","66":"725"},{"Metabolite":"aminomalonate","10.3":"1969","10":"1736","11.3":"3758","11":"3078","12.3":"3141","12":"1617","2.3":"1459","2":"1111","20.3":"1470","20":"1818","25.3":"2771","25":"1745","36.3":"2634","36":"1646","37.3":"2331","37":"1708","51.3":"1802","51":"1520","59.3":"1217","59":"1960","60.3":"2612","60":"1929","62.3":"1777","62":"3124","63.6":"1393","63":"1064","8.3":"2111","8":"1832","9.3":"2885","9":"3682","14.3":"3469","14":"1936","22.3":"3648","22":"2931","24.3":"2590","24":"2030","29.3":"3336","29":"1603","30.3":"2425","30":"2141","35.3":"2324","35":"1654","38.3":"1662","38":"2253","40.3":"3426","40":"3204","45.3":"3032","45":"1859","49.3":"1232","49":"2814","50.3":"2453","50":"2101","58.3":"3944","58":"2451","61.3":"2353","61":"1461","64.3":"2361","64":"1850","66.3":"2696","66":"2522"},{"Metabolite":"alpha-ketoglutarate","10.3":"333","10":"263","11.3":"280","11":"370","12.3":"301","12":"401","2.3":"608","2":"529","20.3":"388","20":"437","25.3":"392","25":"167","36.3":"315","36":"527","37.3":"315","37":"220","51.3":"281","51":"900","59.3":"336","59":"985","60.3":"408","60":"573","62.3":"447","62":"246","63.6":"356","63":"221","8.3":"384","8":"309","9.3":"595","9":"353","14.3":"141","14":"180","22.3":"417","22":"310","24.3":"397","24":"134","29.3":"257","29":"227","30.3":"456","30":"360","35.3":"444","35":"258","38.3":"164","38":"372","40.3":"350","40":"487","45.3":"653","45":"367","49.3":"127","49":"212","50.3":"176","50":"569","58.3":"258","58":"442","61.3":"220","61":"171","64.3":"458","64":"211","66.3":"320","66":"224"},{"Metabolite":"alloxanoic acid NIST","10.3":"182","10":"214","11.3":"521","11":"878","12.3":"789","12":"723","2.3":"287","2":"412","20.3":"329","20":"632","25.3":"604","25":"438","36.3":"417","36":"1271","37.3":"607","37":"184","51.3":"209","51":"1186","59.3":"240","59":"1307","60.3":"856","60":"1018","62.3":"243","62":"343","63.6":"308","63":"334","8.3":"331","8":"461","9.3":"567","9":"701","14.3":"270","14":"288","22.3":"638","22":"535","24.3":"521","24":"177","29.3":"171","29":"280","30.3":"507","30":"432","35.3":"749","35":"358","38.3":"163","38":"559","40.3":"585","40":"1101","45.3":"699","45":"481","49.3":"267","49":"315","50.3":"196","50":"613","58.3":"660","58":"326","61.3":"433","61":"355","64.3":"385","64":"821","66.3":"408","66":"480"},{"Metabolite":"alanine","10.3":"73959","10":"153047","11.3":"81248","11":"121076","12.3":"86068","12":"83913","2.3":"168700","2":"109079","20.3":"85011","20":"80504","25.3":"152233","25":"227413","36.3":"70576","36":"116273","37.3":"184820","37":"92223","51.3":"78351","51":"94973","59.3":"70045","59":"56763","60.3":"128376","60":"102522","62.3":"105821","62":"133563","63.6":"111715","63":"42308","8.3":"62710","8":"128500","9.3":"102847","9":"113198","14.3":"122737","14":"93972","22.3":"221554","22":"117184","24.3":"187154","24":"102317","29.3":"138801","29":"95306","30.3":"157757","30":"50498","35.3":"155642","35":"123218","38.3":"138050","38":"84159","40.3":"154360","40":"111233","45.3":"52294","45":"80308","49.3":"93489","49":"137505","50.3":"132906","50":"66105","58.3":"115996","58":"98754","61.3":"168883","61":"50937","64.3":"107159","64":"93329","66.3":"180913","66":"132138"},{"Metabolite":"adipic acid","10.3":"507","10":"388","11.3":"629","11":"585","12.3":"326","12":"464","2.3":"324","2":"710","20.3":"429","20":"330","25.3":"422","25":"198","36.3":"560","36":"448","37.3":"386","37":"408","51.3":"1408","51":"485","59.3":"255","59":"507","60.3":"397","60":"485","62.3":"484","62":"463","63.6":"536","63":"532","8.3":"592","8":"566","9.3":"469","9":"873","14.3":"713","14":"459","22.3":"510","22":"512","24.3":"451","24":"332","29.3":"343","29":"341","30.3":"828","30":"540","35.3":"352","35":"335","38.3":"175","38":"398","40.3":"468","40":"611","45.3":"3390","45":"1568","49.3":"512","49":"511","50.3":"295","50":"446","58.3":"442","58":"655","61.3":"383","61":"877","64.3":"488","64":"376","66.3":"395","66":"365"},{"Metabolite":"adenosine-5-monophosphate","10.3":"817","10":"396","11.3":"964","11":"434","12.3":"896","12":"788","2.3":"836","2":"238","20.3":"619","20":"647","25.3":"942","25":"1221","36.3":"1339","36":"1256","37.3":"1694","37":"1298","51.3":"995","51":"603","59.3":"754","59":"990","60.3":"798","60":"1206","62.3":"811","62":"935","63.6":"740","63":"198","8.3":"393","8":"496","9.3":"978","9":"839","14.3":"1315","14":"1216","22.3":"879","22":"1234","24.3":"1001","24":"346","29.3":"1129","29":"1240","30.3":"432","30":"911","35.3":"924","35":"454","38.3":"734","38":"480","40.3":"654","40":"809","45.3":"223","45":"2029","49.3":"929","49":"426","50.3":"712","50":"705","58.3":"564","58":"433","61.3":"1065","61":"655","64.3":"503","64":"1854","66.3":"648","66":"475"},{"Metabolite":"aconitic acid","10.3":"225","10":"128","11.3":"663","11":"298","12.3":"165","12":"410","2.3":"187","2":"135","20.3":"195","20":"130","25.3":"378","25":"142","36.3":"560","36":"245","37.3":"185","37":"272","51.3":"315","51":"204","59.3":"161","59":"360","60.3":"297","60":"255","62.3":"336","62":"199","63.6":"192","63":"192","8.3":"210","8":"257","9.3":"199","9":"223","14.3":"292","14":"334","22.3":"221","22":"298","24.3":"233","24":"259","29.3":"226","29":"172","30.3":"281","30":"309","35.3":"219","35":"276","38.3":"184","38":"274","40.3":"220","40":"273","45.3":"294","45":"765","49.3":"103","49":"207","50.3":"302","50":"329","58.3":"156","58":"257","61.3":"218","61":"254","64.3":"270","64":"183","66.3":"174","66":"159"},{"Metabolite":"5-methoxytryptamine","10.3":"545","10":"526","11.3":"1108","11":"592","12.3":"292","12":"759","2.3":"528","2":"126","20.3":"166","20":"201","25.3":"919","25":"908","36.3":"903","36":"1874","37.3":"625","37":"1732","51.3":"700","51":"488","59.3":"102","59":"500","60.3":"209","60":"157","62.3":"294","62":"344","63.6":"340","63":"171","8.3":"518","8":"502","9.3":"614","9":"652","14.3":"901","14":"1865","22.3":"521","22":"1283","24.3":"797","24":"755","29.3":"623","29":"1261","30.3":"615","30":"1117","35.3":"507","35":"271","38.3":"308","38":"225","40.3":"309","40":"736","45.3":"192","45":"985","49.3":"686","49":"433","50.3":"478","50":"644","58.3":"390","58":"495","61.3":"1083","61":"395","64.3":"149","64":"843","66.3":"543","66":"315"},{"Metabolite":"3-phosphoglycerate","10.3":"513","10":"52","11.3":"789","11":"273","12.3":"673","12":"449","2.3":"348","2":"187","20.3":"183","20":"74","25.3":"245","25":"287","36.3":"488","36":"428","37.3":"201","37":"354","51.3":"897","51":"546","59.3":"299","59":"458","60.3":"208","60":"633","62.3":"298","62":"231","63.6":"460","63":"287","8.3":"159","8":"198","9.3":"236","9":"280","14.3":"371","14":"440","22.3":"164","22":"195","24.3":"200","24":"243","29.3":"310","29":"366","30.3":"360","30":"200","35.3":"201","35":"253","38.3":"652","38":"234","40.3":"231","40":"235","45.3":"130","45":"851","49.3":"530","49":"200","50.3":"312","50":"373","58.3":"232","58":"256","61.3":"667","61":"655","64.3":"224","64":"610","66.3":"236","66":"95"},{"Metabolite":"3-hydroxybutyric acid","10.3":"1796","10":"2387","11.3":"2192","11":"9801","12.3":"2480","12":"1401","2.3":"3721","2":"3787","20.3":"2579","20":"2565","25.3":"3211","25":"2299","36.3":"9932","36":"1719","37.3":"5997","37":"423","51.3":"1256","51":"4347","59.3":"258850","59":"21406","60.3":"1138","60":"3756","62.3":"2050","62":"4739","63.6":"41306","63":"1466","8.3":"3139","8":"971","9.3":"3404","9":"1697","14.3":"850","14":"2270","22.3":"2418","22":"2984","24.3":"2367","24":"2914","29.3":"4303","29":"4500","30.3":"2665","30":"43554","35.3":"2173","35":"4664","38.3":"2772","38":"54714","40.3":"2813","40":"3338","45.3":"115962","45":"6195","49.3":"3507","49":"2560","50.3":"5699","50":"4405","58.3":"3151","58":"810","61.3":"1554","61":"2170","64.3":"2835","64":"3325","66.3":"1486","66":"462"},{"Metabolite":"2-piperidinobenzonitrile NIST","10.3":"112","10":"377","11.3":"1312","11":"524","12.3":"744","12":"742","2.3":"405","2":"604","20.3":"242","20":"875","25.3":"795","25":"379","36.3":"941","36":"1056","37.3":"685","37":"322","51.3":"462","51":"1294","59.3":"345","59":"1303","60.3":"833","60":"1002","62.3":"491","62":"741","63.6":"542","63":"329","8.3":"481","8":"328","9.3":"666","9":"273","14.3":"644","14":"193","22.3":"296","22":"526","24.3":"596","24":"637","29.3":"312","29":"571","30.3":"831","30":"1033","35.3":"859","35":"488","38.3":"378","38":"564","40.3":"678","40":"973","45.3":"692","45":"1089","49.3":"378","49":"537","50.3":"348","50":"1087","58.3":"813","58":"568","61.3":"371","61":"526","64.3":"620","64":"605","66.3":"699","66":"586"},{"Metabolite":"2-ketoisocaproic acid","10.3":"8942","10":"6601","11.3":"3607","11":"4976","12.3":"4781","12":"6212","2.3":"8743","2":"6609","20.3":"6710","20":"5991","25.3":"6883","25":"5010","36.3":"4835","36":"5717","37.3":"5371","37":"3777","51.3":"4620","51":"5500","59.3":"5647","59":"4983","60.3":"3231","60":"7119","62.3":"4592","62":"5025","63.6":"4219","63":"2849","8.3":"4768","8":"5320","9.3":"7917","9":"7311","14.3":"5517","14":"5999","22.3":"4836","22":"6891","24.3":"6441","24":"4803","29.3":"2857","29":"3607","30.3":"6287","30":"6992","35.3":"5035","35":"4414","38.3":"4691","38":"5145","40.3":"8803","40":"6238","45.3":"7318","45":"4609","49.3":"5087","49":"3281","50.3":"7127","50":"6480","58.3":"2780","58":"7224","61.3":"4463","61":"2980","64.3":"9295","64":"5526","66.3":"5310","66":"3252"},{"Metabolite":"2-hydroxyvaleric acid","10.3":"1285","10":"1286","11.3":"2565","11":"917","12.3":"1606","12":"1787","2.3":"2342","2":"1092","20.3":"1047","20":"928","25.3":"942","25":"655","36.3":"1876","36":"1608","37.3":"1486","37":"974","51.3":"1435","51":"2354","59.3":"1354","59":"1413","60.3":"1106","60":"1759","62.3":"1331","62":"1667","63.6":"1094","63":"1998","8.3":"1624","8":"1196","9.3":"2686","9":"1805","14.3":"974","14":"863","22.3":"596","22":"2390","24.3":"971","24":"1057","29.3":"2689","29":"708","30.3":"842","30":"1637","35.3":"1123","35":"1236","38.3":"3183","38":"2286","40.3":"2986","40":"1239","45.3":"1464","45":"1367","49.3":"1524","49":"2429","50.3":"913","50":"2112","58.3":"933","58":"1645","61.3":"1801","61":"1518","64.3":"1098","64":"1387","66.3":"888","66":"880"},{"Metabolite":"2-hydroxyglutaric acid","10.3":"126","10":"169","11.3":"339","11":"286","12.3":"215","12":"129","2.3":"69","2":"226","20.3":"132","20":"188","25.3":"89","25":"87","36.3":"551","36":"240","37.3":"170","37":"308","51.3":"326","51":"220","59.3":"78","59":"220","60.3":"153","60":"146","62.3":"332","62":"173","63.6":"160","63":"249","8.3":"185","8":"211","9.3":"259","9":"280","14.3":"160","14":"247","22.3":"87","22":"134","24.3":"274","24":"147","29.3":"245","29":"52","30.3":"233","30":"156","35.3":"155","35":"81","38.3":"85","38":"134","40.3":"245","40":"123","45.3":"176","45":"338","49.3":"217","49":"249","50.3":"184","50":"140","58.3":"172","58":"162","61.3":"165","61":"334","64.3":"157","64":"57","66.3":"167","66":"189"},{"Metabolite":"2-hydroxybutanoic acid","10.3":"12695","10":"13421","11.3":"9286","11":"13768","12.3":"5674","12":"8755","2.3":"21615","2":"17331","20.3":"18015","20":"16042","25.3":"12259","25":"14631","36.3":"9145","36":"8868","37.3":"13024","37":"6366","51.3":"8857","51":"18600","59.3":"13514","59":"15575","60.3":"7525","60":"13742","62.3":"8771","62":"11896","63.6":"17791","63":"6232","8.3":"11122","8":"7986","9.3":"11330","9":"11389","14.3":"7465","14":"5876","22.3":"5824","22":"13091","24.3":"8499","24":"11135","29.3":"6136","29":"7405","30.3":"38946","30":"31122","35.3":"10111","35":"12176","38.3":"5735","38":"18225","40.3":"62015","40":"9697","45.3":"20728","45":"10005","49.3":"14713","49":"5335","50.3":"18861","50":"18089","58.3":"10686","58":"10209","61.3":"6854","61":"9775","64.3":"13210","64":"10663","66.3":"8830","66":"6571"},{"Metabolite":"2-deoxytetronic acid","10.3":"473","10":"243","11.3":"518","11":"249","12.3":"514","12":"300","2.3":"479","2":"260","20.3":"147","20":"355","25.3":"402","25":"194","36.3":"415","36":"250","37.3":"448","37":"605","51.3":"869","51":"478","59.3":"336","59":"383","60.3":"447","60":"634","62.3":"288","62":"571","63.6":"424","63":"641","8.3":"470","8":"330","9.3":"331","9":"639","14.3":"406","14":"558","22.3":"249","22":"394","24.3":"204","24":"426","29.3":"446","29":"576","30.3":"406","30":"367","35.3":"381","35":"426","38.3":"423","38":"289","40.3":"364","40":"549","45.3":"581","45":"1115","49.3":"408","49":"407","50.3":"258","50":"389","58.3":"358","58":"315","61.3":"404","61":"556","64.3":"519","64":"578","66.3":"506","66":"355"},{"Metabolite":"2-aminobutyric acid","10.3":"2874","10":"8623","11.3":"2262","11":"5877","12.3":"2291","12":"4061","2.3":"6036","2":"5783","20.3":"4027","20":"4123","25.3":"7149","25":"7190","36.3":"2913","36":"4698","37.3":"7006","37":"2295","51.3":"2654","51":"3049","59.3":"6104","59":"2360","60.3":"3338","60":"3639","62.3":"4278","62":"4892","63.6":"9626","63":"2403","8.3":"2809","8":"5614","9.3":"3777","9":"4574","14.3":"3577","14":"3363","22.3":"6235","22":"7216","24.3":"6044","24":"5541","29.3":"7385","29":"5336","30.3":"2674","30":"9535","35.3":"8247","35":"10951","38.3":"5271","38":"7139","40.3":"5072","40":"3883","45.3":"3822","45":"2995","49.3":"13253","49":"7012","50.3":"15206","50":"6532","58.3":"4005","58":"3751","61.3":"8414","61":"2458","64.3":"2810","64":"7811","66.3":"7801","66":"5417"},{"Metabolite":"2,5-dihydroxypyrazine NIST","10.3":"278","10":"307","11.3":"181","11":"335","12.3":"283","12":"300","2.3":"436","2":"140","20.3":"358","20":"299","25.3":"384","25":"189","36.3":"560","36":"280","37.3":"270","37":"310","51.3":"405","51":"313","59.3":"208","59":"400","60.3":"349","60":"440","62.3":"174","62":"156","63.6":"328","63":"286","8.3":"321","8":"253","9.3":"364","9":"373","14.3":"371","14":"308","22.3":"249","22":"299","24.3":"392","24":"159","29.3":"178","29":"362","30.3":"464","30":"220","35.3":"324","35":"220","38.3":"242","38":"343","40.3":"229","40":"713","45.3":"235","45":"526","49.3":"185","49":"209","50.3":"216","50":"150","58.3":"207","58":"329","61.3":"168","61":"478","64.3":"339","64":"154","66.3":"192","66":"309"},{"Metabolite":"2,4-diaminobutyric acid","10.3":"181","10":"135","11.3":"629","11":"1119","12.3":"693","12":"767","2.3":"285","2":"731","20.3":"111","20":"310","25.3":"684","25":"590","36.3":"524","36":"994","37.3":"610","37":"435","51.3":"656","51":"581","59.3":"221","59":"593","60.3":"689","60":"425","62.3":"314","62":"296","63.6":"281","63":"586","8.3":"167","8":"697","9.3":"59","9":"667","14.3":"443","14":"181","22.3":"870","22":"376","24.3":"371","24":"637","29.3":"253","29":"741","30.3":"391","30":"472","35.3":"897","35":"499","38.3":"125","38":"654","40.3":"400","40":"574","45.3":"469","45":"474","49.3":"404","49":"616","50.3":"115","50":"765","58.3":"786","58":"281","61.3":"517","61":"360","64.3":"390","64":"746","66.3":"546","66":"814"}],

"Metabolites":[{"Metabolite":"xylulose NIST","KEGG":"C00312","PubChem":"439205","ret.index":"553450","quant mz":"173"},{"Metabolite":"xylose","KEGG":"C00181","PubChem":"135191","ret.index":"543267","quant mz":"103"},{"Metabolite":"xylitol","KEGG":"C00379","PubChem":"6912","ret.index":"567437","quant mz":"217"},{"Metabolite":"valine","KEGG":"C00183","PubChem":"6287","ret.index":"313502","quant mz":"144"},{"Metabolite":"uric acid","KEGG":"C00366","PubChem":"1175","ret.index":"730691","quant mz":"441"},{"Metabolite":"urea","KEGG":"C00086","PubChem":"1176","ret.index":"329351","quant mz":"189"},{"Metabolite":"UDP-glucuronic acid","KEGG":"C00167","PubChem":"17473","ret.index":"585473","quant mz":"217"},{"Metabolite":"tyrosine","KEGG":"C00082","PubChem":"6057","ret.index":"671252","quant mz":"218"},{"Metabolite":"tryptophan","KEGG":"C00078","PubChem":"6305","ret.index":"780482","quant mz":"202"},{"Metabolite":"trans-4-hydroxyproline","KEGG":"C01157","PubChem":"5810","ret.index":"484934","quant mz":"140"},{"Metabolite":"tocopherol gamma-","KEGG":"C02483","PubChem":"92729","ret.index":"1026121","quant mz":"223"},{"Metabolite":"tocopherol alpha-","KEGG":"C00376","PubChem":"638015","ret.index":"1066526","quant mz":"237"},{"Metabolite":"threonine","KEGG":"C00188","PubChem":"6288","ret.index":"408777","quant mz":"218"},{"Metabolite":"threonic acid","KEGG":"C01620","PubChem":"5460407","ret.index":"497572","quant mz":"292"},{"Metabolite":"threitol","KEGG":"C16884","PubChem":"169019","ret.index":"467595","quant mz":"217"},{"Metabolite":"taurine","KEGG":"C00245","PubChem":"1123","ret.index":"556690","quant mz":"326"},{"Metabolite":"sucrose","KEGG":"C00089","PubChem":"5988","ret.index":"915139","quant mz":"271"},{"Metabolite":"stearic acid","KEGG":"C01530","PubChem":"5281","ret.index":"787622","quant mz":"117"},{"Metabolite":"sorbitol","KEGG":"C00794","PubChem":"5780","ret.index":"667922","quant mz":"217"},{"Metabolite":"serine","KEGG":"C00065","PubChem":"5951","ret.index":"395020","quant mz":"218"},{"Metabolite":"ribose","KEGG":"C00121","PubChem":"5779","ret.index":"553135","quant mz":"217"},{"Metabolite":"ribonic acid","KEGG":"C01685","PubChem":"5460677","ret.index":"599680","quant mz":"292"},{"Metabolite":"ribitol","KEGG":"C00474","PubChem":"827","ret.index":"575497","quant mz":"217"},{"Metabolite":"raffinose","KEGG":"C00492","PubChem":"439242","ret.index":"1120886","quant mz":"361"},{"Metabolite":"pyrrole-2-carboxylic acid","KEGG":"C05942","PubChem":"12473","ret.index":"394886","quant mz":"240"},{"Metabolite":"pyrophosphate","KEGG":"C00013","PubChem":"1023","ret.index":"547021","quant mz":"451"},{"Metabolite":"pseudo uridine","KEGG":"C02067","PubChem":"15047","ret.index":"813899","quant mz":"217"},{"Metabolite":"proline","KEGG":"C00148","PubChem":"145742","ret.index":"364523","quant mz":"142"},{"Metabolite":"phosphoethanolamine","KEGG":"C00346","PubChem":"1015","ret.index":"603912","quant mz":"299"},{"Metabolite":"phosphate","KEGG":"C00009","PubChem":"1004","ret.index":"345365","quant mz":"314"},{"Metabolite":"phenylalanine","KEGG":"C00079","PubChem":"6140","ret.index":"537804","quant mz":"218"},{"Metabolite":"parabanic acid NIST","KEGG":"C00802","PubChem":"67126","ret.index":"464991","quant mz":"100"},{"Metabolite":"palmitoleic acid","KEGG":"C08362","PubChem":"445638","ret.index":"706508","quant mz":"311"},{"Metabolite":"palmitic acid","KEGG":"C00249","PubChem":"985","ret.index":"713809","quant mz":"313"},{"Metabolite":"oxoproline","KEGG":"C01879","PubChem":"7405","ret.index":"485935","quant mz":"156"},{"Metabolite":"oxalic acid","KEGG":"C00209","PubChem":"971","ret.index":"260513","quant mz":"190"},{"Metabolite":"ornithine","KEGG":"C00077","PubChem":"6262","ret.index":"594051","quant mz":"174"},{"Metabolite":"naproxen","KEGG":"C01517","PubChem":"156391","ret.index":"737107","quant mz":"185"},{"Metabolite":"N-acetylputrescine","KEGG":"C02714","PubChem":"122356","ret.index":"595523","quant mz":"174"},{"Metabolite":"N-acetylornithine","KEGG":"C00437","PubChem":"439232","ret.index":"697086","quant mz":"174"},{"Metabolite":"myristic acid","KEGG":"C06424","PubChem":"11005","ret.index":"634414","quant mz":"285"},{"Metabolite":"myo-inositol","KEGG":"C00137","PubChem":"892","ret.index":"730022","quant mz":"305"},{"Metabolite":"methyl O-D-galactopyranoside","KEGG":"C03619","PubChem":"94214","ret.index":"630836","quant mz":"204"},{"Metabolite":"methionine","KEGG":"C00073","PubChem":"6137","ret.index":"483560","quant mz":"176"},{"Metabolite":"methanolphosphate","KEGG":"","PubChem":"13130","ret.index":"289520","quant mz":"241"},{"Metabolite":"mannose","KEGG":"C00159","PubChem":"18950","ret.index":"645856","quant mz":"205"},{"Metabolite":"maltose","KEGG":"C00208","PubChem":"439186","ret.index":"946601","quant mz":"204"},{"Metabolite":"malic acid","KEGG":"C00711","PubChem":"525","ret.index":"463180","quant mz":"233"},{"Metabolite":"maleimide","KEGG":"C07272","PubChem":"10935","ret.index":"245118","quant mz":"154"},{"Metabolite":"lyxitol","KEGG":"C00532","PubChem":"439255","ret.index":"573587","quant mz":"217"},{"Metabolite":"lysine","KEGG":"C00047","PubChem":"5962","ret.index":"663483","quant mz":"156"},{"Metabolite":"linoleic acid","KEGG":"C01595","PubChem":"5280450","ret.index":"777414","quant mz":"150"},{"Metabolite":"levoglucosan","KEGG":"","PubChem":"2724705","ret.index":"569637","quant mz":"204"},{"Metabolite":"leucine","KEGG":"C00123","PubChem":"6106","ret.index":"346101","quant mz":"158"},{"Metabolite":"lauric acid","KEGG":"C02679","PubChem":"3893","ret.index":"547906","quant mz":"117"},{"Metabolite":"lactic acid","KEGG":"C01432","PubChem":"612","ret.index":"217657","quant mz":"191"},{"Metabolite":"lactamide","KEGG":"","PubChem":"94220","ret.index":"265698","quant mz":"232"},{"Metabolite":"isothreonic acid","KEGG":"C00639","PubChem":"151152","ret.index":"489385","quant mz":"292"},{"Metabolite":"isoleucine","KEGG":"C00407","PubChem":"6306","ret.index":"359251","quant mz":"158"},{"Metabolite":"isocitric acid","KEGG":"C00451","PubChem":"5318532","ret.index":"617338","quant mz":"245"},{"Metabolite":"inosine-5'-monophosphate","KEGG":"C00130","PubChem":"8582","ret.index":"1018687","quant mz":"169"},{"Metabolite":"inosine","KEGG":"C00294","PubChem":"6021","ret.index":"897184","quant mz":"230"},{"Metabolite":"indole-3-lactate","KEGG":"C02043","PubChem":"92904","ret.index":"764586","quant mz":"202"},{"Metabolite":"indole-3-acetate","KEGG":"C00954","PubChem":"802","ret.index":"684929","quant mz":"202"},{"Metabolite":"hypoxanthine","KEGG":"C00262","PubChem":"790","ret.index":"619128","quant mz":"265"},{"Metabolite":"hydroxycarbamate NIST","KEGG":"","PubChem":"16639161","ret.index":"325948","quant mz":"278"},{"Metabolite":"hippuric acid","KEGG":"C01586","PubChem":"464","ret.index":"636836","quant mz":"206"},{"Metabolite":"hexuronic acid","KEGG":"","PubChem":"","ret.index":"673957","quant mz":"333"},{"Metabolite":"hexitol","KEGG":"C00392","PubChem":"453","ret.index":"704741","quant mz":"217"},{"Metabolite":"heptadecanoic acid","KEGG":"","PubChem":"10465","ret.index":"751309","quant mz":"117"},{"Metabolite":"glycolic acid","KEGG":"C00160","PubChem":"757","ret.index":"227636","quant mz":"177"},{"Metabolite":"glycine","KEGG":"C00037","PubChem":"750","ret.index":"368707","quant mz":"248"},{"Metabolite":"glycerol-alpha-phosphate","KEGG":"C03189","PubChem":"754","ret.index":"590747","quant mz":"357"},{"Metabolite":"glycerol","KEGG":"C00116","PubChem":"753","ret.index":"344466","quant mz":"205"},{"Metabolite":"glyceric acid","KEGG":"C00258","PubChem":"439194","ret.index":"377495","quant mz":"189"},{"Metabolite":"glutamine","KEGG":"C00064","PubChem":"5961","ret.index":"600315","quant mz":"156"},{"Metabolite":"glutamic acid","KEGG":"C00025","PubChem":"33032","ret.index":"529100","quant mz":"246"},{"Metabolite":"glucose","KEGG":"C00221","PubChem":"64689","ret.index":"659798","quant mz":"319"},{"Metabolite":"gluconic acid","KEGG":"C00800","PubChem":"6857417","ret.index":"693148","quant mz":"333"},{"Metabolite":"galactonic acid","KEGG":"C00880","PubChem":"128869","ret.index":"690882","quant mz":"292"},{"Metabolite":"fumaric acid","KEGG":"C00122","PubChem":"444972","ret.index":"392338","quant mz":"245"},{"Metabolite":"fucose","KEGG":"C02095","PubChem":"439650","ret.index":"578299","quant mz":"160"},{"Metabolite":"fructose","KEGG":"C02336","PubChem":"439709","ret.index":"641863","quant mz":"307"},{"Metabolite":"ethanolamine","KEGG":"C00189","PubChem":"700","ret.index":"344719","quant mz":"174"},{"Metabolite":"erythritol","KEGG":"C00503","PubChem":"222285","ret.index":"471922","quant mz":"217"},{"Metabolite":"cystine","KEGG":"C01420","PubChem":"595","ret.index":"804619","quant mz":"218"},{"Metabolite":"cysteine","KEGG":"C00097","PubChem":"5862","ret.index":"500158","quant mz":"220"},{"Metabolite":"creatinine","KEGG":"C00791","PubChem":"588","ret.index":"502599","quant mz":"115"},{"Metabolite":"conduritol-beta-expoxide","KEGG":"","PubChem":"9989541","ret.index":"701723","quant mz":"318"},{"Metabolite":"citrulline","KEGG":"C00327","PubChem":"9750","ret.index":"621404","quant mz":"157"},{"Metabolite":"citric acid","KEGG":"C00158","PubChem":"311","ret.index":"617342","quant mz":"273"},{"Metabolite":"cholesterol","KEGG":"C00187","PubChem":"5997","ret.index":"1076014","quant mz":"129"},{"Metabolite":"capric acid","KEGG":"C01571","PubChem":"2969","ret.index":"452386","quant mz":"229"},{"Metabolite":"beta-alanine","KEGG":"C00099","PubChem":"239","ret.index":"435564","quant mz":"248"},{"Metabolite":"benzylalcohol","KEGG":"C01468","PubChem":"2879","ret.index":"280360","quant mz":"165"},{"Metabolite":"aspartic acid","KEGG":"C00049","PubChem":"5960","ret.index":"480387","quant mz":"232"},{"Metabolite":"asparagine","KEGG":"C00152","PubChem":"6267","ret.index":"553078","quant mz":"188"},{"Metabolite":"arachidonic acid","KEGG":"C00219","PubChem":"444899","ret.index":"834339","quant mz":"91"},{"Metabolite":"arachidic acid","KEGG":"C06425","PubChem":"10467","ret.index":"856421","quant mz":"117"},{"Metabolite":"aminomalonate","KEGG":"C00872","PubChem":"100714","ret.index":"455754","quant mz":"218"},{"Metabolite":"alpha-ketoglutarate","KEGG":"C00026","PubChem":"51","ret.index":"507392","quant mz":"198"},{"Metabolite":"alloxanoic acid NIST","KEGG":"","PubChem":"94146","ret.index":"584472","quant mz":"331"},{"Metabolite":"alanine","KEGG":"C00041","PubChem":"5950","ret.index":"243971","quant mz":"116"},{"Metabolite":"adipic acid","KEGG":"C06104","PubChem":"196","ret.index":"474435","quant mz":"111"},{"Metabolite":"adenosine-5-monophosphate","KEGG":"C00020","PubChem":"6083","ret.index":"1038688","quant mz":"169"},{"Metabolite":"aconitic acid","KEGG":"C00417","PubChem":"643757","ret.index":"586815","quant mz":"229"},{"Metabolite":"5-methoxytryptamine","KEGG":"C05659","PubChem":"1833","ret.index":"864466","quant mz":"174"},{"Metabolite":"3-phosphoglycerate","KEGG":"C00597","PubChem":"724","ret.index":"610734","quant mz":"227"},{"Metabolite":"3-hydroxybutyric acid","KEGG":"C01089","PubChem":"92135","ret.index":"278632","quant mz":"191"},{"Metabolite":"2-piperidinobenzonitrile NIST","KEGG":"","PubChem":"2774355","ret.index":"578923","quant mz":"185"},{"Metabolite":"2-ketoisocaproic acid","KEGG":"C00233","PubChem":"70","ret.index":"310761","quant mz":"89"},{"Metabolite":"2-hydroxyvaleric acid","KEGG":"","PubChem":"98009","ret.index":"309587","quant mz":"131"},{"Metabolite":"2-hydroxyglutaric acid","KEGG":"C02630","PubChem":"43","ret.index":"506306","quant mz":"247"},{"Metabolite":"2-hydroxybutanoic acid","KEGG":"C05984","PubChem":"440864","ret.index":"258161","quant mz":"131"},{"Metabolite":"2-deoxytetronic acid","KEGG":"","PubChem":"150929","ret.index":"433456","quant mz":"189"},{"Metabolite":"2-aminobutyric acid","KEGG":"C02721","PubChem":"6657","ret.index":"286855","quant mz":"130"},{"Metabolite":"2,5-dihydroxypyrazine NIST","KEGG":"","PubChem":"23368901","ret.index":"397526","quant mz":"241"},{"Metabolite":"2,4-diaminobutyric acid","KEGG":"C03283","PubChem":"134490","ret.index":"441621","quant mz":"100"}]
}

}