{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001250","ANALYSIS_ID":"AN002075","VERSION":"1","CREATED_ON":"September 15, 2019, 2:17 pm"},

"PROJECT":{"PROJECT_TITLE":"Luminal metabolome profiles of mice developed dextran sulfate sodium (DSS) colitis","PROJECT_SUMMARY":"Intestinal inflammation alters the composition of the gut microbiota thereby changing luminal metabolite profile. To examine the changes in the luminal metabolites during intestinal inflammation, specific pathogen-free mice were given dextran sulfate sodium (DSS) to induce colitis. Cecal contents from DSS-induced colitis mice and control mice were harvested and metabolite profiles of them were analyzed.","INSTITUTE":"University of Michigan","LAST_NAME":"Kamada","FIRST_NAME":"Nobuhiko","ADDRESS":"1150 W Medical center Dr, Ann Arbor, MI 48109, USA","EMAIL":"nkamada@umich.edu","PHONE":"+1-734-763-2142"},

"STUDY":{"STUDY_TITLE":"Luminal metabolome profiles of mice developed dextran sulfate sodium (DSS) colitis","STUDY_SUMMARY":"Luminal (cecal) metabolome of DSS-colitis mice and control mice were compared.","INSTITUTE":"University of Michigan","DEPARTMENT":"Internal Medicine","LAST_NAME":"Kamada","FIRST_NAME":"Nobuhiko","ADDRESS":"1150 W Medical center Dr, Ann Arbor, MI 48109, USA","EMAIL":"nkamada@umich.edu","PHONE":"+1-734-763-2142"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090","GENDER":"Male and female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"101901",
"Factors":{"Treatment":"Control"}
},
{
"Subject ID":"-",
"Sample ID":"101902",
"Factors":{"Treatment":"Control"}
},
{
"Subject ID":"-",
"Sample ID":"101903",
"Factors":{"Treatment":"Control"}
},
{
"Subject ID":"-",
"Sample ID":"101904",
"Factors":{"Treatment":"Control"}
},
{
"Subject ID":"-",
"Sample ID":"101905",
"Factors":{"Treatment":"Control"}
},
{
"Subject ID":"-",
"Sample ID":"101906",
"Factors":{"Treatment":"DSS"}
},
{
"Subject ID":"-",
"Sample ID":"101907",
"Factors":{"Treatment":"DSS"}
},
{
"Subject ID":"-",
"Sample ID":"101908",
"Factors":{"Treatment":"DSS"}
},
{
"Subject ID":"-",
"Sample ID":"101909",
"Factors":{"Treatment":"DSS"}
},
{
"Subject ID":"-",
"Sample ID":"101910",
"Factors":{"Treatment":"DSS"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Cecal contents of DSS-treated and control mice were harvested.","SAMPLE_TYPE":"Feces"},

"TREATMENT":{"TREATMENT_SUMMARY":"SPF C57BL/6 mice were originally purchased from Jackson Laboratories. Mice were treated with 1.5% DSS for 5 days."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Fecal samples were lyophilized using a VD-800R lyophilizer (TAITEC) for 24 hours. Freeze-dried feces were disrupted with 3.0-mm Zirconia Beads (Biomedical Science) by vigorous shaking (1,500 rpm for 10 min) using Shake Master (Biomedical Science). Fecal metabolites were extracted using the methanol:chloroform:water extraction protocol."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"CE","INSTRUMENT_NAME":"Agilent CE","COLUMN_NAME":"Fused-silica, i.d. 50 µm(cation)","INTERNAL_STANDARD":"20 μM of methionine sulfone"},

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

"MS":{"INSTRUMENT_NAME":"Agilent CE-TOFMS","INSTRUMENT_TYPE":"Other","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"In-house software (MasterHands) was used for peak area integration and annotation."},

"MS_METABOLITE_DATA":{
"Units":"nmol/g",

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ID":"C16741"},{"Metabolite":"5-Methylcytosine","RefMet name":"5-Methylcytosine","Formula":"C5H7N3O","Mass":"125.0589","REGNO":"38217","KEGG ID":"C02376"},{"Metabolite":"5-Methylthioadenosine","RefMet name":"5'-Methylthioadenosine","Formula":"C11H15N5O3S","Mass":"297.0896","REGNO":"37638","KEGG ID":"C00170"},{"Metabolite":"6-Aminohexanoate","RefMet name":"Aminocaproic acid","Formula":"C6H13NO2","Mass":"131.0946","REGNO":"1860","KEGG ID":"C02378"},{"Metabolite":"7-Methylguanine","RefMet name":"7-Methylguanine","Formula":"C6H7N5O","Mass":"165.0651","REGNO":"37489","KEGG ID":"C02242"},{"Metabolite":"7,8-Dihydrobiopterin","RefMet name":"","Formula":"","Mass":"","REGNO":"","KEGG ID":"C02953"},{"Metabolite":"Acetylcholine","RefMet name":"Acetylcholine","Formula":"C7H16NO2","Mass":"146.1181","REGNO":"37488","KEGG ID":"C01996"},{"Metabolite":"Adenine","RefMet name":"Adenine","Formula":"C5H5N5","Mass":"135.0545","REGNO":"37038","KEGG ID":"C00147"},{"Metabolite":"Adenosine","RefMet name":"Adenosine","Formula":"C10H13N5O4","Mass":"267.0968","REGNO":"37045","KEGG ID":"C00212"},{"Metabolite":"ADMA","RefMet name":"Dimethylarginine","Formula":"C8H18N4O2","Mass":"202.143","REGNO":"37857","KEGG ID":"C03626"},{"Metabolite":"Agmatine","RefMet name":"Agmatine","Formula":"C5H14N4","Mass":"130.1218","REGNO":"37797","KEGG ID":"C00179"},{"Metabolite":"Ala","RefMet name":"Alanine","Formula":"C3H7NO2","Mass":"89.0477","REGNO":"37109","KEGG ID":"C00041"},{"Metabolite":"Ala-Ala","RefMet name":"Ala-Ala","Formula":"C6H12N2O3","Mass":"160.084793","REGNO":"78656","KEGG ID":"C00993"},{"Metabolite":"Allantoin","RefMet name":"Allantoin","Formula":"C4H6N4O3","Mass":"158.044","REGNO":"50218","KEGG ID":"C01551"},{"Metabolite":"alpha-Aminoadipate","RefMet name":"Aminoadipic acid","Formula":"C6H11NO4","Mass":"161.0688","REGNO":"2017","KEGG ID":"C00956"},{"Metabolite":"Alpha-Methylserine","RefMet name":"Alpha-Methylserine","Formula":"C4H9NO3","Mass":"119.058244","REGNO":"78601","KEGG ID":"C02115"},{"Metabolite":"Anserine","RefMet name":"Anserine","Formula":"C10H16N4O3","Mass":"240.1222","REGNO":"37129","KEGG ID":"C01262"},{"Metabolite":"Arg","RefMet name":"Arginine","Formula":"C6H14N4O2","Mass":"174.1117","REGNO":"37289","KEGG ID":"C00062"},{"Metabolite":"Asn","RefMet name":"Asparagine","Formula":"C4H8N2O3","Mass":"132.0535","REGNO":"37114","KEGG ID":"C00152"},{"Metabolite":"Asp","RefMet name":"Aspartic acid","Formula":"C4H7NO4","Mass":"133.0375","REGNO":"37126","KEGG ID":"C00049"},{"Metabolite":"beta-Ala","RefMet name":"Beta-Alanine","Formula":"C3H7NO2","Mass":"89.0477","REGNO":"37049","KEGG ID":"C00099"},{"Metabolite":"beta-Imidazolelactate","RefMet name":"","Formula":"","Mass":"","REGNO":"","KEGG ID":"C05568"},{"Metabolite":"Betaine","RefMet name":"Betaine","Formula":"C5H11NO2","Mass":"117.079","REGNO":"37042","KEGG ID":"C00719"},{"Metabolite":"Betaine aldehyde","RefMet name":"Betaine aldehyde","Formula":"C5H12NO","Mass":"102.0919","REGNO":"37683","KEGG ID":"C00576"},{"Metabolite":"Betonicine","RefMet name":"Betonicine","Formula":"C7H13NO3","Mass":"159.0895","REGNO":"43824","KEGG ID":"C08269"},{"Metabolite":"Cadaverine","RefMet name":"Cadaverine","Formula":"C5H14N2","Mass":"102.1157","REGNO":"38124","KEGG ID":"C01672"},{"Metabolite":"Carnitine","RefMet name":"Carnitine","Formula":"C7H15NO3","Mass":"161.1052","REGNO":"42914","KEGG ID":"C00318"},{"Metabolite":"Carnosine","RefMet name":"Carnosine","Formula":"C9H14N4O3","Mass":"226.1066","REGNO":"37037","KEGG ID":"C00386"},{"Metabolite":"Choline","RefMet name":"Choline","Formula":"C5H14NO","Mass":"104.1075","REGNO":"37073","KEGG ID":"C00114"},{"Metabolite":"Citrulline","RefMet name":"Citrulline","Formula":"C6H13N3O3","Mass":"175.0957","REGNO":"37494","KEGG ID":"C00327"},{"Metabolite":"Creatine","RefMet name":"Creatine","Formula":"C4H9N3O2","Mass":"131.0695","REGNO":"37054","KEGG ID":"C00300"},{"Metabolite":"Creatinine","RefMet name":"Creatinine","Formula":"C4H7N3O","Mass":"113.0589","REGNO":"37310","KEGG ID":"C00791"},{"Metabolite":"Cyclohexylamine","RefMet name":"Cyclohexylamine","Formula":"C6H13N","Mass":"99.1048","REGNO":"44859","KEGG ID":"C00571"},{"Metabolite":"Cys","RefMet name":"Cysteine","Formula":"C3H7NO2S","Mass":"121.0198","REGNO":"37316","KEGG ID":"C00097"},{"Metabolite":"Cystathionine","RefMet name":"Cystathionine","Formula":"C7H14N2O4S","Mass":"222.0674","REGNO":"37075","KEGG ID":"C02291"},{"Metabolite":"Cysteine-glutathione disulphide -Divalent","RefMet name":"","Formula":"","Mass":"","REGNO":"","KEGG ID":""},{"Metabolite":"Cystine","RefMet name":"Cystine","Formula":"C6H12N2O4S2","Mass":"240.0239","REGNO":"55119","KEGG ID":"C00491"},{"Metabolite":"Cytidine","RefMet name":"Cytidine","Formula":"C9H13N3O5","Mass":"243.0855","REGNO":"37069","KEGG ID":"C00475"},{"Metabolite":"Cytosine","RefMet name":"Cytosine","Formula":"C4H5N3O","Mass":"111.0433","REGNO":"37339","KEGG ID":"C00380"},{"Metabolite":"Diethanolamine","RefMet name":"Diethanolamine","Formula":"C4H11NO2","Mass":"105.079","REGNO":"38524","KEGG ID":"C06772"},{"Metabolite":"Dihydrouracil","RefMet name":"Dihydrouracil","Formula":"C4H6N2O2","Mass":"114.0429","REGNO":"37061","KEGG ID":"C00429"},{"Metabolite":"Dopamine","RefMet name":"Dopamine","Formula":"C8H11NO2","Mass":"153.079","REGNO":"37060","KEGG ID":"C03758"},{"Metabolite":"Ectoine","RefMet name":"Ectoine","Formula":"C6H10N2O2","Mass":"142.0742","REGNO":"51381","KEGG ID":"C06231"},{"Metabolite":"GABA","RefMet name":"Gamma-Aminobutyric acid","Formula":"C4H9NO2","Mass":"103.0633","REGNO":"1864","KEGG ID":"C00334"},{"Metabolite":"gamma-Butyrobetaine","RefMet name":"3-Dehydroxycarnitine","Formula":"C7H15NO2","Mass":"145.1103","REGNO":"39059","KEGG ID":"C01181"},{"Metabolite":"gamma-Guanidinobutyrate","RefMet name":"4-Guanidinobutanoic acid","Formula":"C5H11N3O2","Mass":"145.0851","REGNO":"38341","KEGG ID":"C01035"},{"Metabolite":"Gln","RefMet name":"Glutamine","Formula":"C5H10N2O3","Mass":"146.0691","REGNO":"37346","KEGG ID":"C00064"},{"Metabolite":"Glu","RefMet name":"Glutamic acid","Formula":"C5H9NO4","Mass":"147.0532","REGNO":"37101","KEGG ID":"C00025"},{"Metabolite":"Glucosamine","RefMet name":"Glucosamine","Formula":"C6H13NO5","Mass":"179.0794","REGNO":"44201","KEGG ID":"C00329"},{"Metabolite":"Gly","RefMet name":"Glycine","Formula":"C2H5NO2","Mass":"75.032","REGNO":"37085","KEGG ID":"C00037"},{"Metabolite":"Gly-Gly","RefMet name":"Gly-Gly","Formula":"C4H8N2O3","Mass":"132.053493","REGNO":"78803","KEGG ID":"C02037"},{"Metabolite":"Gly-Leu","RefMet name":"Gly-Leu","Formula":"C8H16N2O3","Mass":"188.116093","REGNO":"78806","KEGG ID":"C02155"},{"Metabolite":"Glycerophosphorylcholine","RefMet name":"sn-glycero-3-phosphocholine","Formula":"C8H20NO6P","Mass":"257.1028","REGNO":"58812","KEGG ID":"C00670"},{"Metabolite":"Guanidinoacetate","RefMet name":"Guanidoacetic acid","Formula":"C3H7N3O2","Mass":"117.0538","REGNO":"37090","KEGG ID":"C00581"},{"Metabolite":"Guanidinosuccinate","RefMet name":"Guanidinosuccinic acid","Formula":"C5H9N3O4","Mass":"175.0593","REGNO":"38261","KEGG ID":"C03139"},{"Metabolite":"Guanine","RefMet name":"Guanine","Formula":"C5H5N5O","Mass":"151.0494","REGNO":"37093","KEGG ID":"C00242"},{"Metabolite":"Guanosine","RefMet name":"Guanosine","Formula":"C10H13N5O5","Mass":"283.0917","REGNO":"37094","KEGG ID":"C00387"},{"Metabolite":"His","RefMet name":"Histidine","Formula":"C6H9N3O2","Mass":"155.0695","REGNO":"37119","KEGG ID":"C00135"},{"Metabolite":"Histamine","RefMet name":"Histamine","Formula":"C5H9N3","Mass":"111.0796","REGNO":"37476","KEGG ID":"C00388"},{"Metabolite":"Homocysteine","RefMet name":"Homocysteine","Formula":"C4H9NO2S","Mass":"135.0354","REGNO":"50967","KEGG ID":"C00155"},{"Metabolite":"Homocystine","RefMet name":"DL-Homocystine","Formula":"C8H16N2O4S2","Mass":"268.0552","REGNO":"37317","KEGG ID":"C01817"},{"Metabolite":"Homoserine","RefMet name":"Homoserine","Formula":"C4H9NO3","Mass":"119.0582","REGNO":"37385","KEGG ID":"C00263"},{"Metabolite":"Hydroxyproline","RefMet name":"cis-3-hydroxyproline","Formula":"C5H9NO3","Mass":"131.0582","REGNO":"38027","KEGG ID":"C01015"},{"Metabolite":"Hypotaurine","RefMet name":"Hypotaurine","Formula":"C2H7NO2S","Mass":"109.0198","REGNO":"37525","KEGG ID":"C00519"},{"Metabolite":"Hypoxanthine","RefMet name":"Hypoxanthine","Formula":"C5H4N4O","Mass":"136.0385","REGNO":"37106","KEGG ID":"C00262"},{"Metabolite":"Ile","RefMet name":"Isoleucine","Formula":"C6H13NO2","Mass":"131.0946","REGNO":"1871","KEGG ID":"C00407"},{"Metabolite":"Imidazole-4-acetate","RefMet name":"Imidazoleacetic acid","Formula":"C5H6N2O2","Mass":"126.0429","REGNO":"37979","KEGG ID":"C02835"},{"Metabolite":"Indole-3-acetaldehyde","RefMet name":"Indoleacetaldehyde","Formula":"C10H9NO","Mass":"159.0684","REGNO":"37651","KEGG ID":"C00637"},{"Metabolite":"Indole-3-acetamide","RefMet name":"1H-Indole-3-acetamide","Formula":"C10H10N2O","Mass":"174.0793","REGNO":"44027","KEGG ID":"C02693"},{"Metabolite":"Inosine","RefMet name":"Inosine","Formula":"C10H12N4O5","Mass":"268.0808","REGNO":"37130","KEGG ID":"C00294"},{"Metabolite":"Isoamylamine","RefMet name":"3-Methyl-1-butylamine","Formula":"C5H13N","Mass":"87.104799","REGNO":"45022","KEGG ID":"C02640"},{"Metabolite":"Isopropanolamine","RefMet name":"","Formula":"","Mass":"","REGNO":"","KEGG ID":"C05771"},{"Metabolite":"Kynurenine","RefMet name":"Kynurenine","Formula":"C10H12N2O3","Mass":"208.0848","REGNO":"37365","KEGG ID":"C00328"},{"Metabolite":"Leu","RefMet name":"Leucine","Formula":"C6H13NO2","Mass":"131.0946","REGNO":"42493","KEGG ID":"C00123"},{"Metabolite":"Lys","RefMet name":"Lysine","Formula":"C6H14N2O2","Mass":"146.1055","REGNO":"37121","KEGG ID":"C00047"},{"Metabolite":"Mannosamine","RefMet name":"2-amino-2-deoxy-D-mannopyranose","Formula":"C6H13NO5","Mass":"179.079373","REGNO":"62133","KEGG ID":"C03570"},{"Metabolite":"Met","RefMet name":"Methionine","Formula":"C5H11NO2S","Mass":"149.0511","REGNO":"37371","KEGG ID":"C00073"},{"Metabolite":"Methionine sulfoxide","RefMet name":"Methionine sulfoxide","Formula":"C5H11NO3S","Mass":"165.046","REGNO":"57174","KEGG ID":"C02989"},{"Metabolite":"Methylguanidine","RefMet name":"Methylguanidine","Formula":"C2H7N3","Mass":"73.064","REGNO":"37847","KEGG ID":"C02294"},{"Metabolite":"N-Acetylglucosamine","RefMet name":"N-acetyl-D-glucosamine","Formula":"C8H15NO6","Mass":"221.0899","REGNO":"67000","KEGG ID":"C00140"},{"Metabolite":"N-Acetylglucosylamine","RefMet name":"N-Acetyl-b-glucosaminylamine","Formula":"C8H16N2O5","Mass":"220.1059","REGNO":"37602","KEGG ID":"C01239"},{"Metabolite":"N-Acetylhistidine","RefMet name":"N-acetylhistidine","Formula":"C8H11N3O3","Mass":"197.08","REGNO":"50500","KEGG ID":"C02997"},{"Metabolite":"N-Acetylornithine","RefMet name":"N-Acetylornithine","Formula":"C7H14N2O3","Mass":"174.1004","REGNO":"38303","KEGG ID":"C00437"},{"Metabolite":"N-Acetylputrescine","RefMet name":"N-Acetylputrescine","Formula":"C6H14N2O","Mass":"130.1106","REGNO":"38003","KEGG ID":"C02714"},{"Metabolite":"N-Acetylvaline","RefMet name":"N-Acetylvaline","Formula":"C7H13NO3","Mass":"159.0895","REGNO":"41524","KEGG ID":"-"},{"Metabolite":"N-epsilon-Acetyllysine","RefMet name":"N6-acetyllysine","Formula":"C8H16N2O3","Mass":"188.1161","REGNO":"37134","KEGG ID":"C02727"},{"Metabolite":"N-Methylalanine","RefMet name":"N-methylalanine","Formula":"C4H9NO2","Mass":"103.0633","REGNO":"49945","KEGG ID":"C02721"},{"Metabolite":"N-Methylglutamate","RefMet name":"N-methyl-L-glutamic acid","Formula":"C6H11NO4","Mass":"161.0688","REGNO":"50502","KEGG ID":"C01046"},{"Metabolite":"N,N-Dimethylglycine","RefMet name":"Dimethylglycine","Formula":"C4H9NO2","Mass":"103.0633","REGNO":"37070","KEGG ID":"C01026"},{"Metabolite":"N1-Acetylspermidine","RefMet name":"N1-Acetylspermidine","Formula":"C9H21N3O","Mass":"187.1685","REGNO":"37703","KEGG ID":"C00612"},{"Metabolite":"N1,N12-Diacetylspermine","RefMet name":"N1,N12-Diacetylspermine","Formula":"C14H30N4O2","Mass":"286.2369","REGNO":"38057","KEGG ID":"C03413"},{"Metabolite":"N1,N8-Diacetylspermidine","RefMet name":"","Formula":"","Mass":"","REGNO":"","KEGG ID":""},{"Metabolite":"N6,N6,N6-Trimethyllysine","RefMet name":"N-6-trimethyllysine","Formula":"C9H20N2O2","Mass":"188.1525","REGNO":"37729","KEGG ID":"C03793"},{"Metabolite":"N8-Acetylspermidine","RefMet name":"N8-Acetylspermidine","Formula":"C9H21N3O","Mass":"187.1685","REGNO":"38065","KEGG ID":"C01029"},{"Metabolite":"Nicotinamide","RefMet name":"Niacinamide","Formula":"C6H6N2O","Mass":"122.048","REGNO":"37778","KEGG ID":"C00153"},{"Metabolite":"o-Acetylcarnitine","RefMet name":"CAR(2:0)","Formula":"C9H17NO4","Mass":"203.1158","REGNO":"71521","KEGG ID":"C02571"},{"Metabolite":"O-Acetylserine","RefMet name":"O-Acetylserine","Formula":"C5H9NO4","Mass":"147.0532","REGNO":"38234","KEGG ID":"C00979"},{"Metabolite":"Ornithine","RefMet name":"Ornithine","Formula":"C5H12N2O2","Mass":"132.0899","REGNO":"37139","KEGG ID":"C00077"},{"Metabolite":"p-Aminobenzoate","RefMet name":"P-Aminobenzoic acid","Formula":"C7H7NO2","Mass":"137.0477","REGNO":"37770","KEGG ID":"C00568"},{"Metabolite":"Phe","RefMet name":"Phenylalanine","Formula":"C9H11NO2","Mass":"165.079","REGNO":"37108","KEGG ID":"C00079"},{"Metabolite":"Phenethylamine","RefMet name":"Phenylethylamine","Formula":"C8H11N","Mass":"121.0891","REGNO":"41966","KEGG ID":"C05332"},{"Metabolite":"Phosphorylcholine","RefMet name":"Choline phosphate","Formula":"C5H14NO4P","Mass":"183.066","REGNO":"71621","KEGG ID":"C00588"},{"Metabolite":"Pipecolate","RefMet name":"Pipecolic acid","Formula":"C6H11NO2","Mass":"129.079","REGNO":"37384","KEGG ID":"C00408"},{"Metabolite":"Pro","RefMet name":"Proline","Formula":"C5H9NO2","Mass":"115.0633","REGNO":"37110","KEGG ID":"C00148"},{"Metabolite":"Pterin","RefMet name":"Pterin","Formula":"C6H5N5O","Mass":"163.0494","REGNO":"37435","KEGG ID":"C00715"},{"Metabolite":"Putrescine(1,4-Butanediamine)","RefMet name":"","Formula":"","Mass":"","REGNO":"","KEGG ID":"C00134"},{"Metabolite":"Pyridoxal","RefMet name":"Pyridoxal","Formula":"C8H9NO3","Mass":"167.0582","REGNO":"37862","KEGG ID":"C00250"},{"Metabolite":"Pyridoxamine","RefMet name":"Pyridoxamine","Formula":"C8H12N2O2","Mass":"168.0899","REGNO":"37796","KEGG ID":"C00534"},{"Metabolite":"Pyridoxamine 5'-phosphate","RefMet name":"Pyridoxamine 5'-phosphate","Formula":"C8H13N2O5P","Mass":"248.0562","REGNO":"37868","KEGG ID":"C00647"},{"Metabolite":"Riboflavin","RefMet name":"Riboflavin","Formula":"C17H20N4O6","Mass":"376.1383","REGNO":"37156","KEGG ID":"C00255"},{"Metabolite":"S-Methylmethionine","RefMet name":"","Formula":"","Mass":"","REGNO":"","KEGG ID":"C03172"},{"Metabolite":"Saccharopine","RefMet name":"Saccharopine","Formula":"C11H20N2O6","Mass":"276.1321","REGNO":"37177","KEGG ID":"C00449"},{"Metabolite":"SAH","RefMet name":"S-Adenosylhomocysteine","Formula":"C14H20N6O5S","Mass":"384.1216","REGNO":"37510","KEGG ID":"C00021"},{"Metabolite":"SAM+","RefMet name":"","Formula":"","Mass":"","REGNO":"","KEGG ID":"C00019"},{"Metabolite":"Sarcosine","RefMet name":"Sarcosine","Formula":"C3H7NO2","Mass":"89.0477","REGNO":"37173","KEGG ID":"C00213"},{"Metabolite":"SDMA","RefMet name":"Symmetric dimethyl-L-arginine","Formula":"C8H18N4O2","Mass":"202.143","REGNO":"38294","KEGG ID":""},{"Metabolite":"Ser","RefMet name":"Serine","Formula":"C3H7NO3","Mass":"105.0426","REGNO":"37123","KEGG ID":"C00065"},{"Metabolite":"Serotonin","RefMet name":"Serotonin","Formula":"C10H12N2O","Mass":"176.095","REGNO":"37167","KEGG ID":"C00780"},{"Metabolite":"Spermidine","RefMet name":"Spermidine","Formula":"C7H19N3","Mass":"145.1579","REGNO":"37687","KEGG ID":"C00315"},{"Metabolite":"Taurine","RefMet name":"Taurine","Formula":"C2H7NO3S","Mass":"125.0147","REGNO":"37162","KEGG ID":"C00245"},{"Metabolite":"Thiamine","RefMet name":"Thiamine","Formula":"C12H17N4OS","Mass":"265.1123","REGNO":"37152","KEGG ID":"C00378"},{"Metabolite":"Thiamine monophosphate","RefMet name":"Thiamine monophosphate","Formula":"C12H17N4O4PS","Mass":"344.0708","REGNO":"38188","KEGG ID":"C01081"},{"Metabolite":"Thr","RefMet name":"Threonine","Formula":"C4H9NO3","Mass":"119.0582","REGNO":"37113","KEGG ID":"C00188"},{"Metabolite":"Thymidine","RefMet name":"Thymidine","Formula":"C10H14N2O5","Mass":"242.0903","REGNO":"37175","KEGG ID":"C00214"},{"Metabolite":"Thymine","RefMet name":"Thymine","Formula":"C5H6N2O2","Mass":"126.0429","REGNO":"37168","KEGG ID":"C00178"},{"Metabolite":"Trigonelline","RefMet name":"Trigonelline","Formula":"C7H7NO2","Mass":"137.0477","REGNO":"37479","KEGG ID":"C01004"},{"Metabolite":"Trimethylamine N-oxide","RefMet name":"Trimethylamine N-oxide","Formula":"C3H9NO","Mass":"75.0684","REGNO":"37502","KEGG ID":"C01104"},{"Metabolite":"Trimethylsulfonium","RefMet name":"Trimethyl sulfonium","Formula":"C3H9S","Mass":"77.042496","REGNO":"41978","KEGG ID":"C01008"},{"Metabolite":"Trp","RefMet name":"Tryptophan","Formula":"C11H12N2O2","Mass":"204.0899","REGNO":"37505","KEGG ID":"C00078"},{"Metabolite":"Tyr","RefMet name":"Tyrosine","Formula":"C9H11NO3","Mass":"181.0739","REGNO":"37107","KEGG ID":"C00082"},{"Metabolite":"Tyramine","RefMet name":"Tyramine","Formula":"C8H11NO","Mass":"137.0841","REGNO":"37197","KEGG ID":"C00483"},{"Metabolite":"Uracil","RefMet name":"Uracil","Formula":"C4H4N2O2","Mass":"112.0273","REGNO":"37192","KEGG ID":"C00106"},{"Metabolite":"Urea","RefMet name":"Urea","Formula":"CH4N2O","Mass":"60.0324","REGNO":"37188","KEGG ID":"C00086"},{"Metabolite":"Uridine","RefMet name":"Uridine","Formula":"C9H12N2O6","Mass":"244.0695","REGNO":"37190","KEGG ID":"C00299"},{"Metabolite":"Urocanate","RefMet name":"(E)-Urocanic acid","Formula":"C6H6N2O2","Mass":"138.0429","REGNO":"46400","KEGG ID":"C00785"},{"Metabolite":"Val","RefMet name":"Valine","Formula":"C5H11NO2","Mass":"117.079","REGNO":"37484","KEGG ID":"C00183"},{"Metabolite":"Xanthine","RefMet name":"Xanthine","Formula":"C5H4N4O2","Mass":"152.0334","REGNO":"37186","KEGG ID":"C00385"},{"Metabolite":"Xanthurenate","RefMet name":"Xanthurenic acid","Formula":"C10H7NO4","Mass":"205.0375","REGNO":"37483","KEGG ID":"C02470"}]
}

}