{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002174","ANALYSIS_ID":"AN003562","VERSION":"1","CREATED_ON":"May 24, 2022, 9:00 am"},

"PROJECT":{"PROJECT_TITLE":"Identifying a tryptophan derivative in hydrogen peroxide-treated cell culture medium","PROJECT_SUMMARY":"Reactive oxygen species (ROS) are by-products of metabolism of oxygen and they play an important role in normal homeostasis and cell signaling, as well as in the initiation of diseases including cancer when their production is upregulated. Thus, it is imperative to understand the cellular and molecular basis by which ROS impact on various biological and pathological processes. Here, we identified 2-oxindole, a tryptophan derivative, was a major catabolic product in hydrogen peroxide-treated cell culture medium. We used 2-oxindole to study its role in regulating AhR signaling and tryptophan metabolic pathways. We found that 2-oxindole significantly increased the activity of AhR, leading to enhanced expression of its downstream targets including cytochrome P450 genes.","INSTITUTE":"NYU Langone Health","DEPARTMENT":"Department of Biochemistry and Molecular Pharmacology","LABORATORY":"Dai","LAST_NAME":"Choi","FIRST_NAME":"Byeong Hyeok","ADDRESS":"341 East 25 Street New York, NY 10010","EMAIL":"ByeongHyeok.Choi@nyulangone.org","PHONE":"212-263-5521","FUNDING_SOURCE":"NCI/US Public Service Award","CONTRIBUTORS":"Metabolomics Core Resource Laboratory"},

"STUDY":{"STUDY_TITLE":"Identifying a tryptophan derivative in hydrogen peroxide-treated cell culture medium","STUDY_SUMMARY":"Reactive oxygen species (ROS) are by-products of metabolism of oxygen and they play an important role in normal homeostasis and cell signaling, as well as in the initiation of diseases including cancer when their production is upregulated. Thus, it is imperative to understand the cellular and molecular basis by which ROS impact on various biological and pathological processes. Here, we identified 2-oxindole, a tryptophan derivative, was a major catabolic product in hydrogen peroxide-treated cell culture medium. We used 2-oxindole to study its role in regulating AhR signaling and tryptophan metabolic pathways. We found that 2-oxindole significantly increased the activity of AhR, leading to enhanced expression of its downstream targets including cytochrome P450 genes.","INSTITUTE":"NYU Langone Health","DEPARTMENT":"Department of Biochemistry and Molecular Pharmacology","LABORATORY":"Dai","LAST_NAME":"Choi","FIRST_NAME":"Byeong Hyeok","ADDRESS":"341 East 25 Street New York, NY 10010","EMAIL":"ByeongHyeok.Choi@nyulangone.org","PHONE":"2122635521"},

"SUBJECT":{"SUBJECT_TYPE":"Other abiotic sample"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"19 NT 13C 1",
"Factors":{"Group":"VEH"},
"Additional sample data":{"RAW_FILE_NAME":"S16179.raw"}
},
{
"Subject ID":"-",
"Sample ID":"19 NT 13C 2",
"Factors":{"Group":"VEH"},
"Additional sample data":{"RAW_FILE_NAME":"S16180.raw"}
},
{
"Subject ID":"-",
"Sample ID":"19 NT 13C 3",
"Factors":{"Group":"VEH"},
"Additional sample data":{"RAW_FILE_NAME":"S16181.raw"}
},
{
"Subject ID":"-",
"Sample ID":"19 +DON 13C 1",
"Factors":{"Group":"+DON"},
"Additional sample data":{"RAW_FILE_NAME":"S16182.raw"}
},
{
"Subject ID":"-",
"Sample ID":"19 +DON 13C 2",
"Factors":{"Group":"+DON"},
"Additional sample data":{"RAW_FILE_NAME":"S16183.raw"}
},
{
"Subject ID":"-",
"Sample ID":"19 +DON 13C 3",
"Factors":{"Group":"+DON"},
"Additional sample data":{"RAW_FILE_NAME":"S16184.raw"}
},
{
"Subject ID":"-",
"Sample ID":"19 NT 15N 1",
"Factors":{"Group":"NT"},
"Additional sample data":{"RAW_FILE_NAME":"S16185.raw"}
},
{
"Subject ID":"-",
"Sample ID":"19 NT 15N 2",
"Factors":{"Group":"NT"},
"Additional sample data":{"RAW_FILE_NAME":"S16186.raw"}
},
{
"Subject ID":"-",
"Sample ID":"19 NT 15N 3",
"Factors":{"Group":"NT"},
"Additional sample data":{"RAW_FILE_NAME":"S16187.raw"}
},
{
"Subject ID":"-",
"Sample ID":"19 +DON 15N 1",
"Factors":{"Group":"DON"},
"Additional sample data":{"RAW_FILE_NAME":"S16188.raw"}
},
{
"Subject ID":"-",
"Sample ID":"19 +DON 15N 2",
"Factors":{"Group":"DON"},
"Additional sample data":{"RAW_FILE_NAME":"S16189.raw"}
},
{
"Subject ID":"-",
"Sample ID":"19 +DON 15N 3",
"Factors":{"Group":"DON"},
"Additional sample data":{"RAW_FILE_NAME":"S16190.raw"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Treatment and sample collection summary Dulbecco’s Modified Eagle’s Medium (DMEM, Corning, NY) supplemented with 10% fetal bovine serum (Atlanta biologicals) were treated with or without 0.2 mM hydrogen peroxide for 30 min in room temperature in triplicate. After incubation samples were immediately frozen in -80C.","SAMPLE_TYPE":"Media"},

"TREATMENT":{"TREATMENT_SUMMARY":"Dulbecco’s Modified Eagle’s Medium (DMEM, Corning, NY) supplemented with 10% fetal bovine serum (Atlanta biologicals) were treated with or without 0.2 mM hydrogen peroxide for 30 min in room temperature in triplicate. After incubation samples were immediately frozen in -80C."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Samples were extracted with methanol and in house cocktail of amino acids, acting as an internal standards. Samples were then homogenized and spun down, and supernatant was dried down. Dried down samples were reconstituted and transferred to LCMS vials, then injected on LCMS at 2ul per sample","SAMPLEPREP_PROTOCOL_ID":"0.01.12.12","PROCESSING_STORAGE_CONDITIONS":"4℃","EXTRACTION_METHOD":"E.01","EXTRACT_STORAGE":"-80℃","SAMPLE_RESUSPENSION":"50uL","SAMPLE_SPIKING":"500nM"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"SeQuant ZIC-pHILIC 5um polymer, 150x2.1mm - Part No. 15046000001 Buffer A: 10mM ammonium carbonate in water, LCMS Grade Buffer B: Acetonitrile, LCMS Grade Rear Wash: 10% methanol in water, LCMS Grade Wash Buffer: water, LCMS Grade Injection Volume: 2uL","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Ulitmate 3000","COLUMN_NAME":"SeQuant ZIC-pHILIC 5um polymer, 150x2.1mm","FLOW_RATE":"0.100ml/min","COLUMN_TEMPERATURE":"25","METHODS_FILENAME":"L12","SOLVENT_A":"Buffer A: 10mM ammonium carbonate in water, LCMS Grade","SOLVENT_B":"Buffer B: Acetonitrile, LCMS Grade","COLUMN_PRESSURE":"1800","INJECTION_TEMPERATURE":"4","INTERNAL_STANDARD":"ISTD (500nM amino acid cocktail)"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"Metabolomics Core Resource Laboratory","OPERATOR_NAME":"Tori Rodrick","SOFTWARE_VERSION":"Xcalibur","ACQUISITION_DATE":"8/24/2021"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Triple quadrupole","MS_TYPE":"ESI","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"M.13 Polar metabolites (pHILIC Hybrid)."},

"MS_METABOLITE_DATA":{
"Units":"N/L",

"Data":[{"Metabolite":"1-Methylnicotinamide","19 NT 13C 1":"-","19 NT 13C 2":"-","19 NT 13C 3":"75254","19 +DON 13C 1":"115066","19 +DON 13C 2":"133132","19 +DON 13C 3":"177275","19 NT 15N 1":"-","19 NT 15N 2":"79054","19 NT 15N 3":"-","19 +DON 15N 1":"127388","19 +DON 15N 2":"81938","19 +DON 15N 3":"-"},{"Metabolite":"2,3-Diphosphoglyceric acid","19 NT 13C 1":"-","19 NT 13C 2":"-","19 NT 13C 3":"-","19 +DON 13C 1":"-","19 +DON 13C 2":"-","19 +DON 13C 3":"-","19 NT 15N 1":"-","19 NT 15N 2":"-","19 NT 15N 3":"-","19 +DON 15N 1":"-","19 +DON 15N 2":"-","19 +DON 15N 3":"-"},{"Metabolite":"3-Hydroxybutyric acid","19 NT 13C 1":"-","19 NT 13C 2":"-","19 NT 13C 3":"-","19 +DON 13C 1":"-","19 +DON 13C 2":"-","19 +DON 13C 3":"-","19 NT 15N 1":"-","19 NT 15N 2":"-","19 NT 15N 3":"-","19 +DON 15N 1":"-","19 +DON 15N 2":"-","19 +DON 15N 3":"-"},{"Metabolite":"3-Phosphoglyceric acid","19 NT 13C 1":"-","19 NT 13C 2":"16703","19 NT 13C 3":"-","19 +DON 13C 1":"-","19 +DON 13C 2":"-","19 +DON 13C 3":"-","19 NT 15N 1":"253994","19 NT 15N 2":"220213","19 NT 15N 3":"-","19 +DON 15N 1":"-","19 +DON 15N 2":"-","19 +DON 15N 3":"28491"},{"Metabolite":"4,5-Dihydroorotic acid","19 NT 13C 1":"18417","19 NT 13C 2":"41087","19 NT 13C 3":"32431","19 +DON 13C 1":"-","19 +DON 13C 2":"-","19 +DON 13C 3":"-","19 NT 15N 1":"-","19 NT 15N 2":"55377","19 NT 15N 3":"32835","19 +DON 15N 1":"-","19 +DON 15N 2":"-","19 +DON 15N 3":"-"},{"Metabolite":"4-Hydroxyproline","19 NT 13C 1":"553468","19 NT 13C 2":"711376","19 NT 13C 3":"874622","19 +DON 13C 1":"278863","19 +DON 13C 2":"273890","19 +DON 13C 3":"215954","19 NT 15N 1":"1145807","19 NT 15N 2":"580216","19 NT 15N 3":"601140","19 +DON 15N 1":"201204","19 +DON 15N 2":"401977","19 +DON 15N 3":"453766"},{"Metabolite":"5'-Methylthioadenosine","19 NT 13C 1":"1627406","19 NT 13C 2":"2762719","19 NT 13C 3":"2126504","19 +DON 13C 1":"350566","19 +DON 13C 2":"651234","19 +DON 13C 3":"2006565","19 NT 15N 1":"563278","19 NT 15N 2":"277408","19 NT 15N 3":"652685","19 +DON 15N 1":"379281","19 +DON 15N 2":"460310","19 +DON 15N 3":"1157802"},{"Metabolite":"5-Phosphoribosylamine","19 NT 13C 1":"-","19 NT 13C 2":"-","19 NT 13C 3":"-","19 +DON 13C 1":"-","19 +DON 13C 2":"-","19 +DON 13C 3":"-","19 NT 15N 1":"-","19 NT 15N 2":"-","19 NT 15N 3":"-","19 +DON 15N 1":"-","19 +DON 15N 2":"-","19 +DON 15N 3":"-"},{"Metabolite":"6-Phosphogluconic acid","19 NT 13C 1":"-","19 NT 13C 2":"-","19 NT 13C 3":"-","19 +DON 13C 1":"-","19 +DON 13C 2":"-","19 +DON 13C 3":"-","19 NT 15N 1":"-","19 NT 15N 2":"-","19 NT 15N 3":"-","19 +DON 15N 1":"-","19 +DON 15N 2":"-","19 +DON 15N 3":"-"},{"Metabolite":"Acetoacetic acid","19 NT 13C 1":"-","19 NT 13C 2":"-","19 NT 13C 3":"-","19 +DON 13C 1":"-","19 +DON 13C 2":"-","19 +DON 13C 3":"-","19 NT 15N 1":"-","19 NT 15N 2":"-","19 NT 15N 3":"-","19 +DON 15N 1":"-","19 +DON 15N 2":"-","19 +DON 15N 3":"-"},{"Metabolite":"Acetyl-CoA","19 NT 13C 1":"-","19 NT 13C 2":"-","19 NT 13C 3":"-","19 +DON 13C 1":"-","19 +DON 13C 2":"-","19 +DON 13C 3":"-","19 NT 15N 1":"-","19 NT 15N 2":"10519","19 NT 15N 3":"-","19 +DON 15N 1":"-","19 +DON 15N 2":"-","19 +DON 15N 3":"-"},{"Metabolite":"Acetylcysteine","19 NT 13C 1":"31989","19 NT 13C 2":"38485","19 NT 13C 3":"27245","19 +DON 13C 1":"49374","19 +DON 13C 2":"62671","19 +DON 13C 3":"73815","19 NT 15N 1":"84192","19 NT 15N 2":"60093","19 NT 15N 3":"52068","19 +DON 15N 1":"17279","19 +DON 15N 2":"68422","19 +DON 15N 3":"73805"},{"Metabolite":"Adenine","19 NT 13C 1":"6816201","19 NT 13C 2":"11022569","19 NT 13C 3":"5662713","19 +DON 13C 1":"1623460","19 +DON 13C 2":"3771650","19 +DON 13C 3":"4527343","19 NT 15N 1":"2615867","19 NT 15N 2":"1865545","19 NT 15N 3":"1582122","19 +DON 15N 1":"2568473","19 +DON 15N 2":"5297785","19 +DON 15N 3":"4765224"},{"Metabolite":"Adenosine","19 NT 13C 1":"10280982","19 NT 13C 2":"25925034","19 NT 13C 3":"5953598","19 +DON 13C 1":"5744020","19 +DON 13C 2":"27479956","19 +DON 13C 3":"26488952","19 NT 15N 1":"15076647","19 NT 15N 2":"3891646","19 NT 15N 3":"1759514","19 +DON 15N 1":"4149446","19 +DON 15N 2":"14832680","19 +DON 15N 3":"34460224"},{"Metabolite":"Adenosine diphosphate ribose","19 NT 13C 1":"90238","19 NT 13C 2":"61435","19 NT 13C 3":"93126","19 +DON 13C 1":"185284","19 +DON 13C 2":"437100","19 +DON 13C 3":"359053","19 NT 15N 1":"96358","19 NT 15N 2":"96351","19 NT 15N 3":"54123","19 +DON 15N 1":"-","19 +DON 15N 2":"152779","19 +DON 15N 3":"444710"},{"Metabolite":"Adenosine monophosphate","19 NT 13C 1":"1504149","19 NT 13C 2":"2864510","19 NT 13C 3":"1544946","19 +DON 13C 1":"654978","19 +DON 13C 2":"262315","19 +DON 13C 3":"351226","19 NT 15N 1":"477965","19 NT 15N 2":"881993","19 NT 15N 3":"389842","19 +DON 15N 1":"-","19 +DON 15N 2":"224905","19 +DON 15N 3":"280409"},{"Metabolite":"Adenosine triphosphate","19 NT 13C 1":"-","19 NT 13C 2":"-","19 NT 13C 3":"-","19 +DON 13C 1":"-","19 +DON 13C 2":"-","19 +DON 13C 3":"-","19 NT 15N 1":"-","19 NT 15N 2":"-","19 NT 15N 3":"-","19 +DON 15N 1":"-","19 +DON 15N 2":"-","19 +DON 15N 3":"-"},{"Metabolite":"Adenylsuccinic acid","19 NT 13C 1":"-","19 NT 13C 2":"-","19 NT 13C 3":"-","19 +DON 13C 1":"-","19 +DON 13C 2":"-","19 +DON 13C 3":"-","19 NT 15N 1":"-","19 NT 15N 2":"-","19 NT 15N 3":"-","19 +DON 15N 1":"-","19 +DON 15N 2":"-","19 +DON 15N 3":"-"},{"Metabolite":"ADP","19 NT 13C 1":"-","19 NT 13C 2":"90262","19 NT 13C 3":"-","19 +DON 13C 1":"-","19 +DON 13C 2":"-","19 +DON 13C 3":"-","19 NT 15N 1":"50438","19 NT 15N 2":"46087","19 NT 15N 3":"-","19 +DON 15N 1":"-","19 +DON 15N 2":"-","19 +DON 15N 3":"43187"},{"Metabolite":"Allantoin","19 NT 13C 1":"22085","19 NT 13C 2":"22662","19 NT 13C 3":"32344","19 +DON 13C 1":"164041","19 +DON 13C 2":"28177","19 +DON 13C 3":"52063","19 NT 15N 1":"58787","19 NT 15N 2":"22703","19 NT 15N 3":"34777","19 +DON 15N 1":"35804","19 +DON 15N 2":"77418","19 +DON 15N 3":"59452"},{"Metabolite":"Aminoadipic acid","19 NT 13C 1":"-","19 NT 13C 2":"-","19 NT 13C 3":"-","19 +DON 13C 1":"-","19 +DON 13C 2":"-","19 +DON 13C 3":"-","19 NT 15N 1":"-","19 NT 15N 2":"-","19 NT 15N 3":"-","19 +DON 15N 1":"-","19 +DON 15N 2":"-","19 +DON 15N 3":"-"},{"Metabolite":"Argininosuccinic acid","19 NT 13C 1":"-","19 NT 13C 2":"-","19 NT 13C 3":"-","19 +DON 13C 1":"-","19 +DON 13C 2":"-","19 +DON 13C 3":"-","19 NT 15N 1":"28858","19 NT 15N 2":"26093","19 NT 15N 3":"26469","19 +DON 15N 1":"-","19 +DON 15N 2":"-","19 +DON 15N 3":"16471"},{"Metabolite":"Beta-Alanine","19 NT 13C 1":"-","19 NT 13C 2":"-","19 NT 13C 3":"-","19 +DON 13C 1":"-","19 +DON 13C 2":"-","19 +DON 13C 3":"-","19 NT 15N 1":"-","19 NT 15N 2":"-","19 NT 15N 3":"-","19 +DON 15N 1":"326778","19 +DON 15N 2":"298729","19 +DON 15N 3":"-"},{"Metabolite":"Betaine","19 NT 13C 1":"7838222","19 NT 13C 2":"7641372","19 NT 13C 3":"7779132","19 +DON 13C 1":"21957112","19 +DON 13C 2":"32826932","19 +DON 13C 3":"41478952","19 NT 15N 1":"10045224","19 NT 15N 2":"7499725","19 NT 15N 3":"9103739","19 +DON 15N 1":"12696412","19 +DON 15N 2":"22558274","19 +DON 15N 3":"26816526"},{"Metabolite":"Butyrylcarnitine","19 NT 13C 1":"1403282","19 NT 13C 2":"1668342","19 NT 13C 3":"1745593","19 +DON 13C 1":"140945","19 +DON 13C 2":"243337","19 +DON 13C 3":"401903","19 NT 15N 1":"2090290","19 NT 15N 2":"1844790","19 NT 15N 3":"2068265","19 +DON 15N 1":"92639","19 +DON 15N 2":"259665","19 +DON 15N 3":"306870"},{"Metabolite":"Carbamoyl phosphate","19 NT 13C 1":"-","19 NT 13C 2":"-","19 NT 13C 3":"-","19 +DON 13C 1":"-","19 +DON 13C 2":"-","19 +DON 13C 3":"-","19 NT 15N 1":"-","19 NT 15N 2":"-","19 NT 15N 3":"-","19 +DON 15N 1":"-","19 +DON 15N 2":"-","19 +DON 15N 3":"-"},{"Metabolite":"Carnosine","19 NT 13C 1":"-","19 NT 13C 2":"-","19 NT 13C 3":"-","19 +DON 13C 1":"137402","19 +DON 13C 2":"83515","19 +DON 13C 3":"95633","19 NT 15N 1":"-","19 NT 15N 2":"-","19 NT 15N 3":"-","19 +DON 15N 1":"69867","19 +DON 15N 2":"108315","19 +DON 15N 3":"78739"},{"Metabolite":"CDP","19 NT 13C 1":"-","19 NT 13C 2":"-","19 NT 13C 3":"-","19 +DON 13C 1":"-","19 +DON 13C 2":"-","19 +DON 13C 3":"-","19 NT 15N 1":"13749","19 NT 15N 2":"17411","19 NT 15N 3":"-","19 +DON 15N 1":"-","19 +DON 15N 2":"-","19 +DON 15N 3":"-"},{"Metabolite":"Choline","19 NT 13C 1":"-","19 NT 13C 2":"-","19 NT 13C 3":"-","19 +DON 13C 1":"-","19 +DON 13C 2":"97349960","19 +DON 13C 3":"110752976","19 NT 15N 1":"39968724","19 NT 15N 2":"572580","19 NT 15N 3":"424393","19 +DON 15N 1":"-","19 +DON 15N 2":"128679504","19 +DON 15N 3":"15066387"},{"Metabolite":"cis-Aconitic acid","19 NT 13C 1":"152817","19 NT 13C 2":"224788","19 NT 13C 3":"146276","19 +DON 13C 1":"112570","19 +DON 13C 2":"-","19 +DON 13C 3":"153102","19 NT 15N 1":"1095491","19 NT 15N 2":"1049868","19 NT 15N 3":"790343","19 +DON 15N 1":"-","19 +DON 15N 2":"159649","19 +DON 15N 3":"460602"},{"Metabolite":"Citric acid","19 NT 13C 1":"-","19 NT 13C 2":"216483","19 NT 13C 3":"53871","19 +DON 13C 1":"53319","19 +DON 13C 2":"-","19 +DON 13C 3":"91598","19 NT 15N 1":"2866260","19 NT 15N 2":"2265293","19 NT 15N 3":"205812","19 +DON 15N 1":"-","19 +DON 15N 2":"104886","19 +DON 15N 3":"501627"},{"Metabolite":"Citrulline","19 NT 13C 1":"341349","19 NT 13C 2":"375502","19 NT 13C 3":"298051","19 +DON 13C 1":"752624","19 +DON 13C 2":"625086","19 +DON 13C 3":"678726","19 NT 15N 1":"443263","19 NT 15N 2":"332349","19 NT 15N 3":"360876","19 +DON 15N 1":"573840","19 +DON 15N 2":"1110757","19 +DON 15N 3":"571474"},{"Metabolite":"Creatine","19 NT 13C 1":"280278016","19 NT 13C 2":"372881216","19 NT 13C 3":"380261312","19 +DON 13C 1":"128704632","19 +DON 13C 2":"158693072","19 +DON 13C 3":"271911616","19 NT 15N 1":"237451328","19 NT 15N 2":"302649536","19 NT 15N 3":"303910336","19 +DON 15N 1":"116641936","19 +DON 15N 2":"175368480","19 +DON 15N 3":"121951560"},{"Metabolite":"Creatinine","19 NT 13C 1":"1754678","19 NT 13C 2":"1421412","19 NT 13C 3":"1760326","19 +DON 13C 1":"7134943","19 +DON 13C 2":"2118264","19 +DON 13C 3":"3068754","19 NT 15N 1":"2613846","19 NT 15N 2":"1914436","19 NT 15N 3":"2383172","19 +DON 15N 1":"2923640","19 +DON 15N 2":"4746795","19 +DON 15N 3":"2616413"},{"Metabolite":"Cyclic AMP","19 NT 13C 1":"14976","19 NT 13C 2":"30899","19 NT 13C 3":"13640","19 +DON 13C 1":"-","19 +DON 13C 2":"-","19 +DON 13C 3":"12443","19 NT 15N 1":"14785","19 NT 15N 2":"-","19 NT 15N 3":"-","19 +DON 15N 1":"-","19 +DON 15N 2":"-","19 +DON 15N 3":"-"},{"Metabolite":"Cytidine","19 NT 13C 1":"71714","19 NT 13C 2":"138651","19 NT 13C 3":"68967","19 +DON 13C 1":"186174","19 +DON 13C 2":"318332","19 +DON 13C 3":"414420","19 NT 15N 1":"858562","19 NT 15N 2":"402986","19 NT 15N 3":"253212","19 +DON 15N 1":"173946","19 +DON 15N 2":"319064","19 +DON 15N 3":"344895"},{"Metabolite":"Cytidine monophosphate","19 NT 13C 1":"-","19 NT 13C 2":"24868","19 NT 13C 3":"-","19 +DON 13C 1":"32201","19 +DON 13C 2":"73830","19 +DON 13C 3":"127452","19 NT 15N 1":"47343","19 NT 15N 2":"47459","19 NT 15N 3":"53429","19 +DON 15N 1":"-","19 +DON 15N 2":"50997","19 +DON 15N 3":"84414"},{"Metabolite":"Cytidine triphosphate","19 NT 13C 1":"-","19 NT 13C 2":"-","19 NT 13C 3":"-","19 +DON 13C 1":"-","19 +DON 13C 2":"-","19 +DON 13C 3":"-","19 NT 15N 1":"-","19 NT 15N 2":"-","19 NT 15N 3":"-","19 +DON 15N 1":"-","19 +DON 15N 2":"-","19 +DON 15N 3":"-"},{"Metabolite":"Cytosine","19 NT 13C 1":"-","19 NT 13C 2":"-","19 NT 13C 3":"-","19 +DON 13C 1":"-","19 +DON 13C 2":"-","19 +DON 13C 3":"-","19 NT 15N 1":"-","19 NT 15N 2":"-","19 NT 15N 3":"-","19 +DON 15N 1":"-","19 +DON 15N 2":"-","19 +DON 15N 3":"-"},{"Metabolite":"D-2-Hydroxyglutaric acid","19 NT 13C 1":"795627","19 NT 13C 2":"998997","19 NT 13C 3":"771711","19 +DON 13C 1":"607757","19 +DON 13C 2":"1153825","19 +DON 13C 3":"1378968","19 NT 15N 1":"4490232","19 NT 15N 2":"5307756","19 NT 15N 3":"5599480","19 +DON 15N 1":"1013261","19 +DON 15N 2":"3296686","19 +DON 15N 3":"4605436"},{"Metabolite":"D-Glucose","19 NT 13C 1":"631874","19 NT 13C 2":"313017","19 NT 13C 3":"373860","19 +DON 13C 1":"2246042","19 +DON 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acid"},{"metabolite_name":"Fructose 1,6-bisphosphate"},{"metabolite_name":"Fructose 6-phosphate"},{"metabolite_name":"Fumaric acid"},{"metabolite_name":"Glucose 6-phosphate"},{"metabolite_name":"Glutathione"},{"metabolite_name":"Glycerol 3-phosphate"},{"metabolite_name":"Glycine"},{"metabolite_name":"Guanidoacetic acid"},{"metabolite_name":"Guanine"},{"metabolite_name":"Guanosine"},{"metabolite_name":"Guanosine diphosphate"},{"metabolite_name":"Guanosine monophosphate"},{"metabolite_name":"Guanosine triphosphate"},{"metabolite_name":"Homocysteine"},{"metabolite_name":"Hypotaurine"},{"metabolite_name":"Hypoxanthine"},{"metabolite_name":"Inosine"},{"metabolite_name":"Inosinic acid"},{"metabolite_name":"L-Acetylcarnitine"},{"metabolite_name":"L-Alanine"},{"metabolite_name":"L-Arginine"},{"metabolite_name":"L-Asparagine"},{"metabolite_name":"L-Aspartic 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acid"},{"metabolite_name":"N-Acetylglutamine"},{"metabolite_name":"N-Acetyl-L-alanine"},{"metabolite_name":"N-Acetyl-L-methionine"},{"metabolite_name":"N-Acetyl-L-phenylalanine"},{"metabolite_name":"N-Acetylornithine"},{"metabolite_name":"N-Acetylserine"},{"metabolite_name":"NAD"},{"metabolite_name":"NADH"},{"metabolite_name":"NADP"},{"metabolite_name":"NADPH"},{"metabolite_name":"Niacinamide"},{"metabolite_name":"Nicotinic acid"},{"metabolite_name":"O-Phosphoethanolamine"},{"metabolite_name":"Ornithine"},{"metabolite_name":"Orotic acid"},{"metabolite_name":"Orotidylic acid"},{"metabolite_name":"Oxidized glutathione"},{"metabolite_name":"Oxoadipic acid"},{"metabolite_name":"Oxoglutaric acid"},{"metabolite_name":"Palmitic acid"},{"metabolite_name":"Pantothenic acid"},{"metabolite_name":"Phenol"},{"metabolite_name":"Phosphocreatine"},{"metabolite_name":"Phosphoenolpyruvic acid"},{"metabolite_name":"Phosphoribosyl pyrophosphate"},{"metabolite_name":"Phosphorylcholine"},{"metabolite_name":"Phosphoserine"},{"metabolite_name":"Pipecolic acid"},{"metabolite_name":"Propionylcarnitine"},{"metabolite_name":"Pyruvic acid"},{"metabolite_name":"Ribose 1-phosphate"},{"metabolite_name":"Saccharopine"},{"metabolite_name":"S-Adenosylhomocysteine"},{"metabolite_name":"S-Adenosylmethionine"},{"metabolite_name":"Sarcosine"},{"metabolite_name":"Succinic acid"},{"metabolite_name":"Taurine"},{"metabolite_name":"Thymidine"},{"metabolite_name":"Uracil"},{"metabolite_name":"Ureidopropionic acid"},{"metabolite_name":"Ureidosuccinic acid"},{"metabolite_name":"Uric acid"},{"metabolite_name":"Uridine"},{"metabolite_name":"Uridine 5'-diphosphate"},{"metabolite_name":"Uridine 5'-monophosphate"},{"metabolite_name":"Uridine diphosphate glucose"},{"metabolite_name":"Uridine diphosphate-N-acetylglucosamine"},{"metabolite_name":"Uridine triphosphate"},{"metabolite_name":"Valerylcarnitine"},{"metabolite_name":"Xanthine"},{"metabolite_name":"Xanthosine"},{"metabolite_name":"Xanthylic acid"}]
}

}