{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003492","ANALYSIS_ID":"AN005732","PROJECT_ID":"PR002141","VERSION":"1","CREATED_ON":"September 4, 2024, 6:01 pm"},

"PROJECT":{"PROJECT_TITLE":"Secretome of normal primary human pulmonary artery smooth muscle cells","PROJECT_SUMMARY":"This project aims to delineate the possible mediators of aerobic activation of HIF1alpha in normal primary cells and its biological consequences related to pulmonary vascular pathobiology.","INSTITUTE":"Peking University","DEPARTMENT":"Department of Toxicology","LABORATORY":"WXIAO","LAST_NAME":"Xiao","FIRST_NAME":"Wusheng","ADDRESS":"38 Xueyuan Rd, Haidian District, Beijing, Beijing, 100191, China","EMAIL":"wxiao@bjmu.edu.cn","PHONE":"+1-010-82801628"},

"STUDY":{"STUDY_TITLE":"Metabolomic profiling of the secretome in normal primary human pulmonary artery smooth muscle cells","STUDY_SUMMARY":"Growth medium of human pulmonary artery smooth muscle cells (PASMCs) was conditioned for 24 hours and analyzed by LC-MS, termed conditioned medium (CM). Comparing to fresh complete vascular smooth muscle cell growth medium (GM), LC-MS profiling screened 138 metabolites and identified that three branched chain alpha-ketoacids, namely KIC, KIV, and KMV are the most abundant metabolites in CM of human PASMCs.","INSTITUTE":"Peking University","DEPARTMENT":"Department of Toxicology","LAST_NAME":"Xiao","FIRST_NAME":"Wusheng","ADDRESS":"38 Xueyuan Rd, Haidian District, Beijing, Beijing, 100191, China","EMAIL":"wxiao@bjmu.edu.cn","PHONE":"+1-010-82801628"},

"SUBJECT":{"SUBJECT_TYPE":"Cultured cells","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","GENDER":"Male and female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"SmGM 01",
"Factors":{"Treatment":"GM","Sample source":"Vascular smooth muscle cells"}
},
{
"Subject ID":"-",
"Sample ID":"SmGM 02",
"Factors":{"Treatment":"GM","Sample source":"Vascular smooth muscle cells"}
},
{
"Subject ID":"-",
"Sample ID":"SmGM 03",
"Factors":{"Treatment":"GM","Sample source":"Vascular smooth muscle cells"}
},
{
"Subject ID":"-",
"Sample ID":"CMfromSMC 04",
"Factors":{"Treatment":"CM","Sample source":"Vascular smooth muscle cells"}
},
{
"Subject ID":"-",
"Sample ID":"CMfromSMC 05",
"Factors":{"Treatment":"CM","Sample source":"Vascular smooth muscle cells"}
},
{
"Subject ID":"-",
"Sample ID":"CMfromSMC 06",
"Factors":{"Treatment":"CM","Sample source":"Vascular smooth muscle cells"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Human primary pulmonary artery smooth muscle cells were cultured in complete vascular smooth muscle cell growth medium in a T75 flask. When cells reach to roungly 80% confluence, growth medium were refreshed with 10 mL and cultured for 24 hours. Medium samples were then collected and used for LC-MS analysis after centrifugation and removal of cell debris.","SAMPLE_TYPE":"Vascular smooth muscle cells","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"Human primary pulmonary artery smooth muscle cells were cultured in complete vascular smooth muscle cell growth medium in a T75 flask. When cells reach to roungly 80% confluence, growth medium were refreshed with 10 mL and cultured for 24 hours. Medium samples were then collected (termed conditioned medium, CM) and used for LC-MS analysis after centrifugation and removal of cell debris. Regular complete growth medium (GM) of vascular smooth muscle cells was included for comparison.","TREATMENT":"Conditioned medium (CM) vs regular growth medium (GM)","TREATMENT_COMPOUND":"N/A","TREATMENT_ROUTE":"N/A","TREATMENT_DOSE":"N/A","TREATMENT_DOSEVOLUME":"N/A","TREATMENT_DOSEDURATION":"24 hours","TREATMENT_VEHICLE":"N/A","CELL_GROWTH_CONTAINER":"75 cm flasks","CELL_GROWTH_CONFIG":"1200 rpm","CELL_GROWTH_RATE":"30-40 hours","CELL_MEDIA":"Complete vascular smooth muscle cell growth medium supplemented with growth factors and 5% FBS","CELL_ENVIR_COND":"37 C and 5% CO2","CELL_PCT_CONFLUENCE":"70-80%","CELL_MEDIA_LASTCHANGED":"Every 48 hours"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Metabolites in equal volume of GM and CM were extracted using 100% -80 degree prechilled LC-MS grade methanol. The final concentration of methanol was 80%. Proteins were removed by centrifugation and supernatants were collected and evaporate on an Integrated SpeedVac System to the starting volume (~200 uL). Twenty microliters of the resulting medium samples were loaded into a LC-MS sampling tube for analysis.","PROCESSING_STORAGE_CONDITIONS":"Described in summary","EXTRACT_STORAGE":"Described in summary"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Vanquish ultra-high performance liquid chromatography system coupled to a Q Exactive mass spectrometer","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Thermo Vanquish","COLUMN_NAME":"Merck ZIC-pHILIC(150 mm × 2.1 mm,3.5um)","SOLVENT_A":"100% water; 20 mM ammonium carbonate; 0.1% ammonium hydroxide","SOLVENT_B":"100% acetonitrile","FLOW_GRADIENT":"gradient (%B) was 0 min, 80%; 20 min, 20%; 20.5 min, 80%; 28 min, 80%; and 42 min","FLOW_RATE":"100","COLUMN_TEMPERATURE":"4"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Focus","INSTRUMENT_TYPE":"Triple quadrupole","MS_TYPE":"MALDI","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"The mass spectrometer was operated in polarity-switching full scan mode from 70-1000 m/z. Resolution was set to 70,000, and the AGC target was 1×106 ions. Data were acquired and analyzed using TraceFinder 4.1 (Thermo) with peak identifications based on an in-house library of authentic metabolite standards previously analyzed utilizing this method. Missing values were imputed using random forest. Sample peak areas were normalized using probabilistic quotient normalization"},

"MS_METABOLITE_DATA":{
"Units":"ion intensity",

"Data":[{"Metabolite":"1-methyladenosine","SmGM 01":"309596","SmGM 02":"364097","SmGM 03":"352987","CMfromSMC 04":"1300373","CMfromSMC 05":"1351232","CMfromSMC 06":"1109735"},{"Metabolite":"1-methylnicotinamide","SmGM 01":"307522","SmGM 02":"388296","SmGM 03":"227932","CMfromSMC 04":"229350190","CMfromSMC 05":"206141298","CMfromSMC 06":"196868485"},{"Metabolite":"2-aminoadipate","SmGM 01":"994229","SmGM 02":"987547","SmGM 03":"1014530","CMfromSMC 04":"1839290","CMfromSMC 05":"1144045","CMfromSMC 06":"1321468"},{"Metabolite":"2-deoxycytidine","SmGM 01":"294471","SmGM 02":"321107","SmGM 03":"276174","CMfromSMC 04":"25014","CMfromSMC 05":"4730","CMfromSMC 06":"10963"},{"Metabolite":"2-hydroxyglutarate","SmGM 01":"134580907","SmGM 02":"135032994","SmGM 03":"148384566","CMfromSMC 04":"305626588","CMfromSMC 05":"322936025","CMfromSMC 06":"316188938"},{"Metabolite":"3-4-dihydroxyphenylglycol","SmGM 01":"789223","SmGM 02":"1187993","SmGM 03":"1238452","CMfromSMC 04":"862878","CMfromSMC 05":"796892","CMfromSMC 06":"863926"},{"Metabolite":"3-dehydroxycarnitine","SmGM 01":"90619","SmGM 02":"105888","SmGM 03":"104813","CMfromSMC 04":"107661","CMfromSMC 05":"101586","CMfromSMC 06":"101776"},{"Metabolite":"3-hydroxyanthranilic acid","SmGM 01":"415492","SmGM 02":"720848","SmGM 03":"637873","CMfromSMC 04":"473251","CMfromSMC 05":"359305","CMfromSMC 06":"268222"},{"Metabolite":"3-methyladipate/pimelate","SmGM 01":"10656000","SmGM 02":"11124236","SmGM 03":"11670043","CMfromSMC 04":"10872249","CMfromSMC 05":"10204197","CMfromSMC 06":"10880349"},{"Metabolite":"4-methylcatechol","SmGM 01":"865252","SmGM 02":"1330272","SmGM 03":"1373493","CMfromSMC 04":"826639","CMfromSMC 05":"807872","CMfromSMC 06":"853362"},{"Metabolite":"4-pyridoxate","SmGM 01":"347815","SmGM 02":"","SmGM 03":"353476","CMfromSMC 04":"378821","CMfromSMC 05":"421813","CMfromSMC 06":"617030"},{"Metabolite":"acetylcholine","SmGM 01":"320976","SmGM 02":"380247","SmGM 03":"445500","CMfromSMC 04":"363420","CMfromSMC 05":"305272","CMfromSMC 06":"367719"},{"Metabolite":"aconitate","SmGM 01":"2118659","SmGM 02":"2327548","SmGM 03":"2162654","CMfromSMC 04":"28545583","CMfromSMC 05":"28367847","CMfromSMC 06":"30979641"},{"Metabolite":"adenine","SmGM 01":"17239038","SmGM 02":"18131842","SmGM 03":"18441123","CMfromSMC 04":"","CMfromSMC 05":"","CMfromSMC 06":""},{"Metabolite":"adenosine","SmGM 01":"159987","SmGM 02":"199422","SmGM 03":"335207","CMfromSMC 04":"790426","CMfromSMC 05":"413284","CMfromSMC 06":"428108"},{"Metabolite":"adipate","SmGM 01":"4613930","SmGM 02":"3984164","SmGM 03":"4899247","CMfromSMC 04":"4356592","CMfromSMC 05":"4495841","CMfromSMC 06":"5272868"},{"Metabolite":"ADMA","SmGM 01":"35662009","SmGM 02":"40903649","SmGM 03":"43994022","CMfromSMC 04":"58244908","CMfromSMC 05":"54896663","CMfromSMC 06":"60174593"},{"Metabolite":"alanine","SmGM 01":"29257860","SmGM 02":"29298880","SmGM 03":"29270329","CMfromSMC 04":"119122923","CMfromSMC 05":"91172559","CMfromSMC 06":"97185580"},{"Metabolite":"allantoin","SmGM 01":"51627641","SmGM 02":"55395204","SmGM 03":"53620663","CMfromSMC 04":"54057522","CMfromSMC 05":"51923348","CMfromSMC 06":"55959572"},{"Metabolite":"alpha-glycerophosphocholine","SmGM 01":"21151343","SmGM 02":"21414440","SmGM 03":"21918992","CMfromSMC 04":"25423361","CMfromSMC 05":"29090630","CMfromSMC 06":"32538744"},{"Metabolite":"alpha-keto-beta-methylvalerate/alpha-ketoisocaproate","SmGM 01":"","SmGM 02":"","SmGM 03":"","CMfromSMC 04":"195456686","CMfromSMC 05":"165377962","CMfromSMC 06":"189672064"},{"Metabolite":"alpha-ketoglutarate","SmGM 01":"6238189","SmGM 02":"9470511","SmGM 03":"9577150","CMfromSMC 04":"15211244","CMfromSMC 05":"12131640","CMfromSMC 06":"16118662"},{"Metabolite":"alpha-ketoisovalerate","SmGM 01":"","SmGM 02":"","SmGM 03":"","CMfromSMC 04":"48598817","CMfromSMC 05":"34753502","CMfromSMC 06":"43113614"},{"Metabolite":"anserine","SmGM 01":"160643","SmGM 02":"174304","SmGM 03":"195773","CMfromSMC 04":"219741","CMfromSMC 05":"156274","CMfromSMC 06":"226213"},{"Metabolite":"arginine","SmGM 01":"1947947082","SmGM 02":"2136448101","SmGM 03":"2183804925","CMfromSMC 04":"1961941162","CMfromSMC 05":"1819209603","CMfromSMC 06":"1841241114"},{"Metabolite":"ascorbate","SmGM 01":"1618981","SmGM 02":"1447495","SmGM 03":"1292262","CMfromSMC 04":"1672055","CMfromSMC 05":"1525846","CMfromSMC 06":"1872034"},{"Metabolite":"asparagine","SmGM 01":"35874637","SmGM 02":"43352315","SmGM 03":"45348419","CMfromSMC 04":"58707142","CMfromSMC 05":"48839769","CMfromSMC 06":"49653585"},{"Metabolite":"aspartate","SmGM 01":"162017459","SmGM 02":"178807418","SmGM 03":"175175391","CMfromSMC 04":"49676518","CMfromSMC 05":"49472714","CMfromSMC 06":"48827148"},{"Metabolite":"azelate","SmGM 01":"1518452","SmGM 02":"1238973","SmGM 03":"2017153","CMfromSMC 04":"1476257","CMfromSMC 05":"1467555","CMfromSMC 06":"1468628"},{"Metabolite":"beta-alanine","SmGM 01":"1483908","SmGM 02":"1441173","SmGM 03":"1702030","CMfromSMC 04":"2537727","CMfromSMC 05":"2732576","CMfromSMC 06":"3177065"},{"Metabolite":"betaine","SmGM 01":"775314673","SmGM 02":"874584061","SmGM 03":"900685267","CMfromSMC 04":"792430608","CMfromSMC 05":"746379346","CMfromSMC 06":"788697931"},{"Metabolite":"bilirubin","SmGM 01":"244","SmGM 02":"302","SmGM 03":"299","CMfromSMC 04":"375","CMfromSMC 05":"441","CMfromSMC 06":"1099"},{"Metabolite":"biotin","SmGM 01":"36857","SmGM 02":"43028","SmGM 03":"44017","CMfromSMC 04":"37628","CMfromSMC 05":"35373","CMfromSMC 06":"38685"},{"Metabolite":"butyrate","SmGM 01":"","SmGM 02":"","SmGM 03":"","CMfromSMC 04":"2618281","CMfromSMC 05":"2769460","CMfromSMC 06":"1908502"},{"Metabolite":"C14:0 LPC","SmGM 01":"24439","SmGM 02":"29223","SmGM 03":"30200","CMfromSMC 04":"33470","CMfromSMC 05":"30836","CMfromSMC 06":"30993"},{"Metabolite":"C16:0 LPC","SmGM 01":"918507","SmGM 02":"910079","SmGM 03":"924215","CMfromSMC 04":"509970","CMfromSMC 05":"459507","CMfromSMC 06":"486017"},{"Metabolite":"C16:0 SM","SmGM 01":"452404","SmGM 02":"477791","SmGM 03":"419465","CMfromSMC 04":"385739","CMfromSMC 05":"371722","CMfromSMC 06":"387692"},{"Metabolite":"C16:1 LPC","SmGM 01":"76725","SmGM 02":"96721","SmGM 03":"97734","CMfromSMC 04":"61732","CMfromSMC 05":"60688","CMfromSMC 06":"64384"},{"Metabolite":"C16:1 SM","SmGM 01":"24925","SmGM 02":"29301","SmGM 03":"24520","CMfromSMC 04":"25975","CMfromSMC 05":"23104","CMfromSMC 06":"24450"},{"Metabolite":"C18:0 LPC","SmGM 01":"81679","SmGM 02":"83935","SmGM 03":"76544","CMfromSMC 04":"33799","CMfromSMC 05":"29474","CMfromSMC 06":"28744"},{"Metabolite":"C18:0 SM","SmGM 01":"94069","SmGM 02":"91946","SmGM 03":"99275","CMfromSMC 04":"76804","CMfromSMC 05":"74384","CMfromSMC 06":"89098"},{"Metabolite":"C18:1 carnitine","SmGM 01":"103431","SmGM 02":"89978","SmGM 03":"79089","CMfromSMC 04":"38340","CMfromSMC 05":"24486","CMfromSMC 06":"37105"},{"Metabolite":"C18:2 LPC","SmGM 01":"44718","SmGM 02":"66786","SmGM 03":"69810","CMfromSMC 04":"8729","CMfromSMC 05":"10322","CMfromSMC 06":"8529"},{"Metabolite":"C2 carnitine","SmGM 01":"28641987","SmGM 02":"33796625","SmGM 03":"33838275","CMfromSMC 04":"32203762","CMfromSMC 05":"32087615","CMfromSMC 06":"33736794"},{"Metabolite":"C20:4 LPC","SmGM 01":"22230","SmGM 02":"33731","SmGM 03":"28852","CMfromSMC 04":"4426","CMfromSMC 05":"5112","CMfromSMC 06":"5555"},{"Metabolite":"C22:6 LPC","SmGM 01":"25606","SmGM 02":"39479","SmGM 03":"38876","CMfromSMC 04":"","CMfromSMC 05":"","CMfromSMC 06":""},{"Metabolite":"C3 carnitine","SmGM 01":"15384097","SmGM 02":"18521686","SmGM 03":"18950351","CMfromSMC 04":"15740096","CMfromSMC 05":"15704617","CMfromSMC 06":"14820853"},{"Metabolite":"C4 carnitine","SmGM 01":"18260104","SmGM 02":"21755491","SmGM 03":"21903067","CMfromSMC 04":"19398817","CMfromSMC 05":"17620127","CMfromSMC 06":"18552725"},{"Metabolite":"C4-OH carnitine","SmGM 01":"206387","SmGM 02":"261880","SmGM 03":"242129","CMfromSMC 04":"255165","CMfromSMC 05":"201905","CMfromSMC 06":"256675"},{"Metabolite":"C5 carnitine","SmGM 01":"5739934","SmGM 02":"6356662","SmGM 03":"6655826","CMfromSMC 04":"5984949","CMfromSMC 05":"5602204","CMfromSMC 06":"5917301"},{"Metabolite":"C5:1 carnitine","SmGM 01":"291100","SmGM 02":"308863","SmGM 03":"292647","CMfromSMC 04":"297521","CMfromSMC 05":"246874","CMfromSMC 06":"327248"},{"Metabolite":"C5-DC carnitine","SmGM 01":"312591","SmGM 02":"336398","SmGM 03":"578877","CMfromSMC 04":"286042","CMfromSMC 05":"235658","CMfromSMC 06":"434330"},{"Metabolite":"C6 carnitine","SmGM 01":"733080","SmGM 02":"841785","SmGM 03":"832705","CMfromSMC 04":"636573","CMfromSMC 05":"612317","CMfromSMC 06":"650141"},{"Metabolite":"C7 carnitine","SmGM 01":"107584","SmGM 02":"110532","SmGM 03":"118291","CMfromSMC 04":"113054","CMfromSMC 05":"96535","CMfromSMC 06":"112677"},{"Metabolite":"carnitine","SmGM 01":"95320686","SmGM 02":"106668160","SmGM 03":"103852007","CMfromSMC 04":"97840454","CMfromSMC 05":"89366170","CMfromSMC 06":"94484276"},{"Metabolite":"carnosine","SmGM 01":"3627869","SmGM 02":"4228768","SmGM 03":"4547146","CMfromSMC 04":"3891196","CMfromSMC 05":"3519664","CMfromSMC 06":"3945540"},{"Metabolite":"choline","SmGM 01":"4255141861","SmGM 02":"4746315423","SmGM 03":"4669618980","CMfromSMC 04":"4417875493","CMfromSMC 05":"4088897371","CMfromSMC 06":"4041990109"},{"Metabolite":"citrate/isocitrate","SmGM 01":"88026209","SmGM 02":"89817759","SmGM 03":"85316731","CMfromSMC 04":"1062042694","CMfromSMC 05":"1043689258","CMfromSMC 06":"1175006557"},{"Metabolite":"citrulline","SmGM 01":"4698777","SmGM 02":"4642618","SmGM 03":"4620795","CMfromSMC 04":"4269732","CMfromSMC 05":"4132444","CMfromSMC 06":"4425549"},{"Metabolite":"cortisol","SmGM 01":"3758","SmGM 02":"4406","SmGM 03":"4493","CMfromSMC 04":"4871","CMfromSMC 05":"4242","CMfromSMC 06":"4649"},{"Metabolite":"creatine","SmGM 01":"202747169","SmGM 02":"235453326","SmGM 03":"288231056","CMfromSMC 04":"183634480","CMfromSMC 05":"182232899","CMfromSMC 06":"228096731"},{"Metabolite":"creatinine","SmGM 01":"838219200","SmGM 02":"922013164","SmGM 03":"921120385","CMfromSMC 04":"829837370","CMfromSMC 05":"803332906","CMfromSMC 06":"867577506"},{"Metabolite":"cyclohexylamine","SmGM 01":"20121","SmGM 02":"18804","SmGM 03":"28637","CMfromSMC 04":"21125","CMfromSMC 05":"19887","CMfromSMC 06":"26689"},{"Metabolite":"cystathionine","SmGM 01":"94769","SmGM 02":"","SmGM 03":"70928","CMfromSMC 04":"83481","CMfromSMC 05":"83799","CMfromSMC 06":"112570"},{"Metabolite":"cytidine","SmGM 01":"56402","SmGM 02":"47730","SmGM 03":"50832","CMfromSMC 04":"13629","CMfromSMC 05":"8219","CMfromSMC 06":"15033"},{"Metabolite":"cytosine","SmGM 01":"271317","SmGM 02":"226683","SmGM 03":"400679","CMfromSMC 04":"276851","CMfromSMC 05":"261712","CMfromSMC 06":"328307"},{"Metabolite":"dimethylglycine","SmGM 01":"1941133","SmGM 02":"2213854","SmGM 03":"2049051","CMfromSMC 04":"2147447","CMfromSMC 05":"1952601","CMfromSMC 06":"1945421"},{"Metabolite":"DMGV_isomer","SmGM 01":"1418321","SmGM 02":"1544331","SmGM 03":"1709272","CMfromSMC 04":"1537304","CMfromSMC 05":"1309742","CMfromSMC 06":"1540796"},{"Metabolite":"eicosapentaenoate","SmGM 01":"695833","SmGM 02":"615924","SmGM 03":"600569","CMfromSMC 04":"325627","CMfromSMC 05":"362887","CMfromSMC 06":"426047"},{"Metabolite":"erythronate","SmGM 01":"6107864","SmGM 02":"5873685","SmGM 03":"5290917","CMfromSMC 04":"4459552","CMfromSMC 05":"4108228","CMfromSMC 06":"5983177"},{"Metabolite":"fructose/glucose/galactose","SmGM 01":"1166484693","SmGM 02":"1177165679","SmGM 03":"1163788394","CMfromSMC 04":"724396513","CMfromSMC 05":"665261641","CMfromSMC 06":"759054770"},{"Metabolite":"fumarate/maleate","SmGM 01":"47527306","SmGM 02":"52024134","SmGM 03":"53961043","CMfromSMC 04":"86934474","CMfromSMC 05":"82022792","CMfromSMC 06":"78474117"},{"Metabolite":"glucuronate","SmGM 01":"3239266","SmGM 02":"4561969","SmGM 03":"4598528","CMfromSMC 04":"6292594","CMfromSMC 05":"6738360","CMfromSMC 06":"5138078"},{"Metabolite":"glutamate","SmGM 01":"114441982","SmGM 02":"129506530","SmGM 03":"129009922","CMfromSMC 04":"362243859","CMfromSMC 05":"344996581","CMfromSMC 06":"341412017"},{"Metabolite":"glutamine","SmGM 01":"6534159485","SmGM 02":"7330313965","SmGM 03":"7317742516","CMfromSMC 04":"6762710807","CMfromSMC 05":"6254857629","CMfromSMC 06":"6474193288"},{"Metabolite":"glycerate","SmGM 01":"2738293","SmGM 02":"2951195","SmGM 03":"2962164","CMfromSMC 04":"3351404","CMfromSMC 05":"2842404","CMfromSMC 06":"3035478"},{"Metabolite":"glycine","SmGM 01":"14827849","SmGM 02":"12464130","SmGM 03":"12349513","CMfromSMC 04":"14155250","CMfromSMC 05":"13453920","CMfromSMC 06":"14037429"},{"Metabolite":"glycodeoxycholate/glycochenodeoxycholate","SmGM 01":"1630914","SmGM 02":"1706807","SmGM 03":"1523210","CMfromSMC 04":"1336738","CMfromSMC 05":"1606591","CMfromSMC 06":"1903006"},{"Metabolite":"guanidinoacetic acid","SmGM 01":"685","SmGM 02":"714","SmGM 03":"731","CMfromSMC 04":"1358","CMfromSMC 05":"1193","CMfromSMC 06":"1739"},{"Metabolite":"guanine","SmGM 01":"368","SmGM 02":"702","SmGM 03":"2329","CMfromSMC 04":"9975","CMfromSMC 05":"13332","CMfromSMC 06":"11475"},{"Metabolite":"guanosine","SmGM 01":"","SmGM 02":"","SmGM 03":"23","CMfromSMC 04":"1224","CMfromSMC 05":"1260","CMfromSMC 06":"924"},{"Metabolite":"hippurate","SmGM 01":"38956413","SmGM 02":"46917853","SmGM 03":"44351661","CMfromSMC 04":"33876189","CMfromSMC 05":"33155764","CMfromSMC 06":"32933916"},{"Metabolite":"histidine","SmGM 01":"1361726560","SmGM 02":"1482787700","SmGM 03":"1669819433","CMfromSMC 04":"1293670690","CMfromSMC 05":"1224782196","CMfromSMC 06":"1555375473"},{"Metabolite":"homovanillate","SmGM 01":"455480","SmGM 02":"428356","SmGM 03":"548088","CMfromSMC 04":"505197","CMfromSMC 05":"585523","CMfromSMC 06":"541624"},{"Metabolite":"hydroxyproline","SmGM 01":"10190028","SmGM 02":"11615213","SmGM 03":"12136954","CMfromSMC 04":"12845941","CMfromSMC 05":"11741069","CMfromSMC 06":"12902890"},{"Metabolite":"hypoxanthine","SmGM 01":"26681559","SmGM 02":"24498955","SmGM 03":"25349814","CMfromSMC 04":"5362370","CMfromSMC 05":"9738651","CMfromSMC 06":"13313800"},{"Metabolite":"indolelactate","SmGM 01":"288648","SmGM 02":"322670","SmGM 03":"287035","CMfromSMC 04":"322842","CMfromSMC 05":"272374","CMfromSMC 06":"324663"},{"Metabolite":"inosine","SmGM 01":"13862","SmGM 02":"13979","SmGM 03":"14970","CMfromSMC 04":"35357","CMfromSMC 05":"31377","CMfromSMC 06":"33557"},{"Metabolite":"inositol","SmGM 01":"288283195","SmGM 02":"287951506","SmGM 03":"288797714","CMfromSMC 04":"303911203","CMfromSMC 05":"275015686","CMfromSMC 06":"313490188"},{"Metabolite":"isoleucine","SmGM 01":"1009092278","SmGM 02":"1097024506","SmGM 03":"1113194146","CMfromSMC 04":"912178184","CMfromSMC 05":"836808765","CMfromSMC 06":"900310742"},{"Metabolite":"isoleucine/leucine","SmGM 01":"11354769492","SmGM 02":"11257969644","SmGM 03":"11410414425","CMfromSMC 04":"10550711744","CMfromSMC 05":"9569077955","CMfromSMC 06":"10755949519"},{"Metabolite":"isovalerate","SmGM 01":"1404400","SmGM 02":"1366445","SmGM 03":"1369386","CMfromSMC 04":"1285465","CMfromSMC 05":"1203951","CMfromSMC 06":"1099566"},{"Metabolite":"kynurenic acid","SmGM 01":"3327710","SmGM 02":"4637874","SmGM 03":"6359445","CMfromSMC 04":"3340948","CMfromSMC 05":"3111131","CMfromSMC 06":"3814197"},{"Metabolite":"lactate","SmGM 01":"330461024","SmGM 02":"417170123","SmGM 03":"386512318","CMfromSMC 04":"2499861672","CMfromSMC 05":"2364850673","CMfromSMC 06":"2592351124"},{"Metabolite":"lactose/sucrose/trehalose","SmGM 01":"1359045","SmGM 02":"2526822","SmGM 03":"1920435","CMfromSMC 04":"824019","CMfromSMC 05":"1129197","CMfromSMC 06":"1278954"},{"Metabolite":"leucine","SmGM 01":"1732274992","SmGM 02":"1948193466","SmGM 03":"1913549224","CMfromSMC 04":"1617339044","CMfromSMC 05":"1462808111","CMfromSMC 06":"1534855992"},{"Metabolite":"lysine","SmGM 01":"2718233099","SmGM 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03":"6116172351","CMfromSMC 04":"5608964883","CMfromSMC 05":"5195826401","CMfromSMC 06":"5237398171"},{"Metabolite":"pyrrolidonecarboxylic acid","SmGM 01":"1176632","SmGM 02":"1253735","SmGM 03":"1253059","CMfromSMC 04":"1109715","CMfromSMC 05":"1029669","CMfromSMC 06":"1151328"},{"Metabolite":"pyruvate","SmGM 01":"324500832","SmGM 02":"328719955","SmGM 03":"309018895","CMfromSMC 04":"","CMfromSMC 05":"","CMfromSMC 06":"19272417"},{"Metabolite":"quinolinate","SmGM 01":"5228585","SmGM 02":"6656249","SmGM 03":"6765507","CMfromSMC 04":"5921485","CMfromSMC 05":"5281570","CMfromSMC 06":"6131700"},{"Metabolite":"ribothymidine","SmGM 01":"1093334","SmGM 02":"1187361","SmGM 03":"1118002","CMfromSMC 04":"6398771","CMfromSMC 05":"5844250","CMfromSMC 06":"5963533"},{"Metabolite":"salicylurate","SmGM 01":"1624132","SmGM 02":"1828733","SmGM 03":"1791405","CMfromSMC 04":"1677589","CMfromSMC 05":"1502317","CMfromSMC 06":"1642225"},{"Metabolite":"SDMA","SmGM 01":"15369447","SmGM 02":"15411408","SmGM 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03":"1557081","CMfromSMC 04":"1206855","CMfromSMC 05":"1242285","CMfromSMC 06":"1284952"},{"Metabolite":"succinate","SmGM 01":"494122228","SmGM 02":"542960289","SmGM 03":"563012385","CMfromSMC 04":"544259989","CMfromSMC 05":"507650506","CMfromSMC 06":"529853756"},{"Metabolite":"taurine","SmGM 01":"24995887","SmGM 02":"29551974","SmGM 03":"30227527","CMfromSMC 04":"25816638","CMfromSMC 05":"23300037","CMfromSMC 06":"24736260"},{"Metabolite":"thiamine","SmGM 01":"888558694","SmGM 02":"981816440","SmGM 03":"997192324","CMfromSMC 04":"924246712","CMfromSMC 05":"844414172","CMfromSMC 06":"865685977"},{"Metabolite":"threonine","SmGM 01":"39631675","SmGM 02":"45307742","SmGM 03":"46342638","CMfromSMC 04":"36332973","CMfromSMC 05":"32621096","CMfromSMC 06":"32896500"},{"Metabolite":"thymine","SmGM 01":"8428150","SmGM 02":"8280808","SmGM 03":"8364441","CMfromSMC 04":"7630450","CMfromSMC 05":"6970325","CMfromSMC 06":"8349606"},{"Metabolite":"trimethylamine-N-oxide","SmGM 01":"7146352","SmGM 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"Metabolites":[{"metabolite_name":"1-methyladenosine"},{"metabolite_name":"1-methylnicotinamide"},{"metabolite_name":"2-aminoadipate"},{"metabolite_name":"2-deoxycytidine"},{"metabolite_name":"2-hydroxyglutarate"},{"metabolite_name":"3-4-dihydroxyphenylglycol"},{"metabolite_name":"3-dehydroxycarnitine"},{"metabolite_name":"3-hydroxyanthranilic acid"},{"metabolite_name":"3-methyladipate/pimelate"},{"metabolite_name":"4-methylcatechol"},{"metabolite_name":"4-pyridoxate"},{"metabolite_name":"acetylcholine"},{"metabolite_name":"aconitate"},{"metabolite_name":"adenine"},{"metabolite_name":"adenosine"},{"metabolite_name":"adipate"},{"metabolite_name":"ADMA"},{"metabolite_name":"alanine"},{"metabolite_name":"allantoin"},{"metabolite_name":"alpha-glycerophosphocholine"},{"metabolite_name":"alpha-keto-beta-methylvalerate/alpha-ketoisocaproate"},{"metabolite_name":"alpha-ketoglutarate"},{"metabolite_name":"alpha-ketoisovalerate"},{"metabolite_name":"anserine"},{"metabolite_name":"arginine"},{"metabolite_name":"ascorbate"},{"metabolite_name":"asparagine"},{"metabolite_name":"aspartate"},{"metabolite_name":"azelate"},{"metabolite_name":"beta-alanine"},{"metabolite_name":"betaine"},{"metabolite_name":"bilirubin"},{"metabolite_name":"biotin"},{"metabolite_name":"butyrate"},{"metabolite_name":"C14:0 LPC"},{"metabolite_name":"C16:0 LPC"},{"metabolite_name":"C16:0 SM"},{"metabolite_name":"C16:1 LPC"},{"metabolite_name":"C16:1 SM"},{"metabolite_name":"C18:0 LPC"},{"metabolite_name":"C18:0 SM"},{"metabolite_name":"C18:1 carnitine"},{"metabolite_name":"C18:2 LPC"},{"metabolite_name":"C2 carnitine"},{"metabolite_name":"C20:4 LPC"},{"metabolite_name":"C22:6 LPC"},{"metabolite_name":"C3 carnitine"},{"metabolite_name":"C4 carnitine"},{"metabolite_name":"C4-OH carnitine"},{"metabolite_name":"C5 carnitine"},{"metabolite_name":"C5:1 carnitine"},{"metabolite_name":"C5-DC carnitine"},{"metabolite_name":"C6 carnitine"},{"metabolite_name":"C7 carnitine"},{"metabolite_name":"carnitine"},{"metabolite_name":"carnosine"},{"metabolite_name":"choline"},{"metabolite_name":"citrate/isocitrate"},{"metabolite_name":"citrulline"},{"metabolite_name":"cortisol"},{"metabolite_name":"creatine"},{"metabolite_name":"creatinine"},{"metabolite_name":"cyclohexylamine"},{"metabolite_name":"cystathionine"},{"metabolite_name":"cytidine"},{"metabolite_name":"cytosine"},{"metabolite_name":"dimethylglycine"},{"metabolite_name":"DMGV_isomer"},{"metabolite_name":"eicosapentaenoate"},{"metabolite_name":"erythronate"},{"metabolite_name":"fructose/glucose/galactose"},{"metabolite_name":"fumarate/maleate"},{"metabolite_name":"glucuronate"},{"metabolite_name":"glutamate"},{"metabolite_name":"glutamine"},{"metabolite_name":"glycerate"},{"metabolite_name":"glycine"},{"metabolite_name":"glycodeoxycholate/glycochenodeoxycholate"},{"metabolite_name":"guanidinoacetic acid"},{"metabolite_name":"guanine"},{"metabolite_name":"guanosine"},{"metabolite_name":"hippurate"},{"metabolite_name":"histidine"},{"metabolite_name":"homovanillate"},{"metabolite_name":"hydroxyproline"},{"metabolite_name":"hypoxanthine"},{"metabolite_name":"indolelactate"},{"metabolite_name":"inosine"},{"metabolite_name":"inositol"},{"metabolite_name":"isoleucine"},{"metabolite_name":"isoleucine/leucine"},{"metabolite_name":"isovalerate"},{"metabolite_name":"kynurenic acid"},{"metabolite_name":"lactate"},{"metabolite_name":"lactose/sucrose/trehalose"},{"metabolite_name":"leucine"},{"metabolite_name":"lysine"},{"metabolite_name":"malate"},{"metabolite_name":"malonate"},{"metabolite_name":"MDA"},{"metabolite_name":"methionine"},{"metabolite_name":"methionine sulfoxide"},{"metabolite_name":"myristoleic acid"},{"metabolite_name":"N6-acetyllysine"},{"metabolite_name":"N-acetylleucine"},{"metabolite_name":"N-acetylornithine"},{"metabolite_name":"N-carbamoyl-beta-alanine"},{"metabolite_name":"niacinamide"},{"metabolite_name":"nicotinate"},{"metabolite_name":"NMMA"},{"metabolite_name":"ornithine"},{"metabolite_name":"oxalate"},{"metabolite_name":"pantothenate"},{"metabolite_name":"phenylacetate"},{"metabolite_name":"phenylalanine"},{"metabolite_name":"phosphocholine"},{"metabolite_name":"proline"},{"metabolite_name":"propionate"},{"metabolite_name":"pterin"},{"metabolite_name":"pyrocatechol"},{"metabolite_name":"pyroglutamic acid"},{"metabolite_name":"pyrrolidonecarboxylic acid"},{"metabolite_name":"pyruvate"},{"metabolite_name":"quinolinate"},{"metabolite_name":"ribothymidine"},{"metabolite_name":"salicylurate"},{"metabolite_name":"SDMA"},{"metabolite_name":"sebacate"},{"metabolite_name":"serine"},{"metabolite_name":"serotonin"},{"metabolite_name":"sorbitol"},{"metabolite_name":"sphingosine_isomer"},{"metabolite_name":"suberate"},{"metabolite_name":"succinate"},{"metabolite_name":"taurine"},{"metabolite_name":"thiamine"},{"metabolite_name":"threonine"},{"metabolite_name":"thymine"},{"metabolite_name":"trimethylamine-N-oxide"},{"metabolite_name":"tryptophan"},{"metabolite_name":"tyrosine"},{"metabolite_name":"uracil"},{"metabolite_name":"urate"},{"metabolite_name":"uridine"},{"metabolite_name":"urocanic acid"},{"metabolite_name":"valine"},{"metabolite_name":"xanthine"},{"metabolite_name":"xanthosine"}]
}

}