{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001300","ANALYSIS_ID":"AN002164","VERSION":"1","CREATED_ON":"January 8, 2020, 9:52 am"},

"PROJECT":{"PROJECT_TITLE":"Luminal metabolome profiles ofUC-HMA mice transplanted with a healthy human-derived fecal microbiota (FMT).","PROJECT_SUMMARY":"We found that UC-HMA mice, GF mice were colonized with gut microbiota derived from patients with UC, were susceptible to Clostridioides difficile (C. difficile) infection. However, FMT almost completely prevented the growth of C. difficile in the gut of UC-HMA mice. To clear this mechanism, fecal samples were collected from FMT-treated and -untreated UC-HMA mice, and metabolite profiles of them were analyzed.","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"},

"STUDY":{"STUDY_TITLE":"Luminal metabolome profiles ofUC-HMA mice transplanted with a healthy human-derived fecal microbiota (FMT).","STUDY_SUMMARY":"Luminal (fecal) metabolome of FMT treated UC-HMA mice and FMT untreated UC-HMA 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"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"FMT1",
"Factors":{"Factor":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"FMT1.d"}
},
{
"Subject ID":"-",
"Sample ID":"FMT2",
"Factors":{"Factor":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"FMT2.d"}
},
{
"Subject ID":"-",
"Sample ID":"FMT3",
"Factors":{"Factor":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"FMT3.d"}
},
{
"Subject ID":"-",
"Sample ID":"FMT4",
"Factors":{"Factor":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"FMT4.d"}
},
{
"Subject ID":"-",
"Sample ID":"FMT5",
"Factors":{"Factor":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"FMT5.d"}
},
{
"Subject ID":"-",
"Sample ID":"FMT6",
"Factors":{"Factor":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"FMT6.d"}
},
{
"Subject ID":"-",
"Sample ID":"FMT7",
"Factors":{"Factor":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"FMT7.d"}
},
{
"Subject ID":"-",
"Sample ID":"FMT8",
"Factors":{"Factor":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"FMT8.d"}
},
{
"Subject ID":"-",
"Sample ID":"FMT9",
"Factors":{"Factor":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"FMT9.d"}
},
{
"Subject ID":"-",
"Sample ID":"FMT10",
"Factors":{"Factor":"FMT"},
"Additional sample data":{"RAW_FILE_NAME":"FMT10.d"}
},
{
"Subject ID":"-",
"Sample ID":"FMT11",
"Factors":{"Factor":"FMT"},
"Additional sample data":{"RAW_FILE_NAME":"FMT11.d"}
},
{
"Subject ID":"-",
"Sample ID":"FMT12",
"Factors":{"Factor":"FMT"},
"Additional sample data":{"RAW_FILE_NAME":"FMT12.d"}
},
{
"Subject ID":"-",
"Sample ID":"FMT13",
"Factors":{"Factor":"FMT"},
"Additional sample data":{"RAW_FILE_NAME":"FMT13.d"}
},
{
"Subject ID":"-",
"Sample ID":"FMT14",
"Factors":{"Factor":"FMT"},
"Additional sample data":{"RAW_FILE_NAME":"FMT14.d"}
},
{
"Subject ID":"-",
"Sample ID":"FMT15",
"Factors":{"Factor":"FMT"},
"Additional sample data":{"RAW_FILE_NAME":"FMT15.d"}
},
{
"Subject ID":"-",
"Sample ID":"FMT16",
"Factors":{"Factor":"FMT"},
"Additional sample data":{"RAW_FILE_NAME":"FMT16.d"}
},
{
"Subject ID":"-",
"Sample ID":"FMT17",
"Factors":{"Factor":"FMT"},
"Additional sample data":{"RAW_FILE_NAME":"FMT17.d"}
},
{
"Subject ID":"-",
"Sample ID":"FMT18",
"Factors":{"Factor":"FMT"},
"Additional sample data":{"RAW_FILE_NAME":"FMT18.d"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Feces of FMT-treated/-untreated UC-HMA mice were harvested.","SAMPLE_TYPE":"Feces"},

"TREATMENT":{"TREATMENT_SUMMARY":"GF C57BL/6 mice were colonized with UC microbiotas for 2 weeks. After colonization of HC microbiota, the mice were transplanted with healthy human microbiota once (day -3) before collecting fecal samples."},

"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":"Other","INSTRUMENT_NAME":"Agilent 7100 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 G3250AA LC/MSD TOF system","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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times":"10.59376582"},{"Metabolite":"Diethanolamine","RefMet name":"Diethanolamine","Formula":"C4H11NO2","Mass":"105.079","MW structure":"38524","KEGG ID":"C06772","quantitated m/z":"106.0863044","retention times":"11.15933659"},{"Metabolite":"Ectoine","RefMet name":"Ectoine","Formula":"C6H10N2O2","Mass":"142.0742","MW structure":"51381","KEGG ID":"C06231","quantitated m/z":"143.081051","retention times":"13.69350881"},{"Metabolite":"GABA","RefMet name":"gamma-Aminobutyric acid","Formula":"C4H9NO2","Mass":"103.0633","MW structure":"1864","KEGG ID":"C00334","quantitated m/z":"104.0709655","retention times":"11.21602149"},{"Metabolite":"gamma-Butyrobetaine","RefMet name":"3-Dehydroxycarnitine","Formula":"C7H15NO2","Mass":"145.1103","MW structure":"39059","KEGG ID":"C01181","quantitated m/z":"146.1176037","retention times":"11.75791704"},{"Metabolite":"gamma-Glu-2AB","RefMet name":"","Formula":"","Mass":"","MW structure":"","KEGG ID":"-","quantitated m/z":"233.113306","retention times":"17.74993166"},{"Metabolite":"gamma-Guanidinobutyrate","RefMet name":"4-Guanidinobutanoic acid","Formula":"C5H11N3O2","Mass":"145.0851","MW structure":"38341","KEGG ID":"C01035","quantitated m/z":"146.0927361","retention times":"12.05088621"},{"Metabolite":"Gln","RefMet name":"Glutamine","Formula":"C5H10N2O3","Mass":"146.0691","MW structure":"37346","KEGG ID":"C00064","quantitated m/z":"147.076453","retention times":"15.47766086"},{"Metabolite":"Glu","RefMet name":"Glutamic acid","Formula":"C5H9NO4","Mass":"147.0532","MW structure":"37101","KEGG ID":"C00025","quantitated m/z":"148.060173","retention times":"15.72363775"},{"Metabolite":"Glucosaminate","RefMet name":"Glucosaminic acid","Formula":"C6H13NO6","Mass":"195.0743","MW structure":"49871","KEGG ID":"C03752","quantitated m/z":"196.0826662","retention times":"17.09245724"},{"Metabolite":"Glucosamine","RefMet name":"Glucosamine","Formula":"C6H13NO5","Mass":"179.0794","MW structure":"44201","KEGG ID":"C00329","quantitated m/z":"180.0875658","retention times":"13.40966179"},{"Metabolite":"Gly","RefMet name":"Glycine","Formula":"C2H5NO2","Mass":"75.032","MW structure":"37085","KEGG ID":"C00037","quantitated m/z":"76.03964458","retention times":"12.07206631"},{"Metabolite":"Glycerophosphorylcholine","RefMet name":"sn-Glycero-3-phosphocholine","Formula":"C8H20NO6P","Mass":"257.1028","MW structure":"58812","KEGG ID":"C00670","quantitated m/z":"258.1129011","retention times":"29.75487709"},{"Metabolite":"Gly-Gly","RefMet name":"Gly-Gly","Formula":"C4H8N2O3","Mass":"132.053493","MW structure":"78803","KEGG ID":"C02037","quantitated m/z":"133.060193","retention times":"12.175084"},{"Metabolite":"Gly-Leu","RefMet name":"Gly-Leu","Formula":"C8H16N2O3","Mass":"188.116093","MW structure":"78806","KEGG ID":"C02155","quantitated m/z":"189.1239906","retention times":"14.15930873"},{"Metabolite":"Guanidinoacetate","RefMet name":"Guanidoacetic acid","Formula":"C3H7N3O2","Mass":"117.0538","MW structure":"37090","KEGG ID":"C00581","quantitated m/z":"118.0608587","retention times":"11.97762055"},{"Metabolite":"Guanidinosuccinate","RefMet name":"Guanidinosuccinic acid","Formula":"C5H9N3O4","Mass":"175.0593","MW structure":"38261","KEGG ID":"C03139","quantitated m/z":"176.0673553","retention times":"14.59713731"},{"Metabolite":"Guanine","RefMet name":"Guanine","Formula":"C5H5N5O","Mass":"151.0494","MW structure":"37093","KEGG ID":"C00242","quantitated m/z":"152.0566593","retention times":"12.05592025"},{"Metabolite":"Guanosine","RefMet name":"Guanosine","Formula":"C10H13N5O5","Mass":"283.0917","MW structure":"37094","KEGG ID":"C00387","quantitated m/z":"284.0993509","retention times":"17.82079315"},{"Metabolite":"His","RefMet name":"Histidine","Formula":"C6H9N3O2","Mass":"155.0695","MW structure":"37119","KEGG ID":"C00135","quantitated m/z":"156.0769175","retention times":"10.65525454"},{"Metabolite":"Histamine","RefMet name":"Histamine","Formula":"C5H9N3","Mass":"111.0796","MW structure":"37476","KEGG ID":"C00388","quantitated m/z":"112.0872165","retention times":"7.020869284"},{"Metabolite":"Homoserine","RefMet name":"Homoserine","Formula":"C4H9NO3","Mass":"119.0582","MW structure":"37385","KEGG ID":"C00263","quantitated m/z":"120.0659991","retention times":"14.55197755"},{"Metabolite":"Homovanillate","RefMet name":"Homovanillic acid","Formula":"C9H10O4","Mass":"182.0579","MW structure":"37081","KEGG ID":"C05582","quantitated m/z":"181.0514514","retention times":"16.40164844"},{"Metabolite":"Hydroxyproline","RefMet name":"Hydroxyproline","Formula":"C5H9NO3","Mass":"131.0582","MW structure":"","KEGG ID":"C01015","quantitated m/z":"132.0650945","retention times":"17.25427674"},{"Metabolite":"Hypoxanthine","RefMet name":"Hypoxanthine","Formula":"C5H4N4O","Mass":"136.0385","MW structure":"37106","KEGG ID":"C00262","quantitated m/z":"137.0456206","retention times":"15.83364442"},{"Metabolite":"Ile","RefMet name":"Isoleucine","Formula":"C6H13NO2","Mass":"131.0946","MW structure":"1871","KEGG ID":"C00407","quantitated m/z":"132.1017629","retention times":"14.77735589"},{"Metabolite":"Indole-3-acetaldehyde","RefMet name":"Indoleacetaldehyde","Formula":"C10H9NO","Mass":"159.0684","MW structure":"37651","KEGG ID":"C00637","quantitated m/z":"160.0621299","retention times":"30.14383218"},{"Metabolite":"Indole-3-acetamide","RefMet name":"1H-Indole-3-acetamide","Formula":"C10H10N2O","Mass":"174.0793","MW structure":"44027","KEGG ID":"C02693","quantitated m/z":"175.0788653","retention times":"30.34607491"},{"Metabolite":"Inosine","RefMet name":"Inosine","Formula":"C10H12N4O5","Mass":"268.0808","MW structure":"37130","KEGG ID":"C00294","quantitated m/z":"269.0877731","retention times":"26.99548474"},{"Metabolite":"Isopropanolamine","RefMet name":"","Formula":"","Mass":"","MW structure":"","KEGG ID":"C05771","quantitated m/z":"76.0760983","retention times":"10.27552758"},{"Metabolite":"Leu","RefMet name":"Leucine","Formula":"C6H13NO2","Mass":"131.0946","MW structure":"42493","KEGG ID":"C00123","quantitated m/z":"132.1017903","retention times":"14.91894399"},{"Metabolite":"Lys","RefMet name":"Lysine","Formula":"C6H14N2O2","Mass":"146.1055","MW structure":"37121","KEGG ID":"C00047","quantitated m/z":"147.112491","retention times":"10.06300296"},{"Metabolite":"Mannosamine","RefMet name":"2-Amino-2-deoxy-D-mannose","Formula":"C6H13NO5","Mass":"179.079373","MW structure":"62133","KEGG ID":"C03570","quantitated m/z":"180.0932575","retention times":"13.19318125"},{"Metabolite":"Met","RefMet name":"Methionine","Formula":"C5H11NO2S","Mass":"149.0511","MW structure":"37371","KEGG ID":"C00073","quantitated m/z":"150.0586913","retention times":"15.44628957"},{"Metabolite":"Methionine sulfoxide","RefMet name":"Methionine sulfoxide","Formula":"C5H11NO3S","Mass":"165.046","MW structure":"57174","KEGG ID":"C02989","quantitated m/z":"166.053094","retention times":"17.00500503"},{"Metabolite":"N1,N12-Diacetylspermine","RefMet 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times":"9.425374783"},{"Metabolite":"N-Acetylglucosamine","RefMet name":"N-Acetyl-D-glucosamine","Formula":"C8H15NO6","Mass":"221.0899","MW structure":"67000","KEGG ID":"C00140","quantitated m/z":"222.0964255","retention times":"30.25931436"},{"Metabolite":"N-Acetylglucosylamine","RefMet name":"N-Acetyl-beta-glucosaminylamine","Formula":"C8H16N2O5","Mass":"220.1059","MW structure":"37602","KEGG ID":"C01239","quantitated m/z":"221.1119461","retention times":"14.38522816"},{"Metabolite":"N-Acetylornithine","RefMet name":"N-Acetylornithine","Formula":"C7H14N2O3","Mass":"174.1004","MW structure":"38303","KEGG ID":"C00437","quantitated m/z":"175.1078449","retention times":"13.8578604"},{"Metabolite":"N-Acetylputrescine","RefMet name":"N-Acetylputrescine","Formula":"C6H14N2O","Mass":"130.1106","MW structure":"38003","KEGG ID":"C02714","quantitated m/z":"131.1180371","retention times":"12.29886357"},{"Metabolite":"N-epsilon-Acetyllysine","RefMet 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times":"18.02705927"},{"Metabolite":"Ophthalmate","RefMet name":"Ophthalmic acid","Formula":"C11H19N3O6","Mass":"289.1274","MW structure":"38741","KEGG ID":"-","quantitated m/z":"290.1347365","retention times":"18.88384828"},{"Metabolite":"Ornithine","RefMet name":"Ornithine","Formula":"C5H12N2O2","Mass":"132.0899","MW structure":"37139","KEGG ID":"C00077","quantitated m/z":"133.0971495","retention times":"9.978599881"},{"Metabolite":"p-Aminobenzoate","RefMet name":"P-Aminobenzoic acid","Formula":"C7H7NO2","Mass":"137.0477","MW structure":"37770","KEGG ID":"C00568","quantitated m/z":"138.0542486","retention times":"13.91839972"},{"Metabolite":"Phe","RefMet name":"Phenylalanine","Formula":"C9H11NO2","Mass":"165.079","MW structure":"37108","KEGG ID":"C00079","quantitated m/z":"166.0863257","retention times":"15.97255542"},{"Metabolite":"Phosphorylcholine","RefMet name":"Choline phosphate","Formula":"C5H14NO4P","Mass":"183.066","MW structure":"71621","KEGG ID":"C00588","quantitated m/z":"184.0714523","retention times":"28.48555917"},{"Metabolite":"Pipecolate","RefMet name":"Pipecolic acid","Formula":"C6H11NO2","Mass":"129.079","MW structure":"37384","KEGG ID":"C00408","quantitated m/z":"130.0864244","retention times":"14.85629151"},{"Metabolite":"Pro","RefMet name":"Proline","Formula":"C5H9NO2","Mass":"115.0633","MW structure":"37110","KEGG ID":"C00148","quantitated m/z":"116.070386","retention times":"15.58445824"},{"Metabolite":"Putrescine(1,4-Butanediamine)","RefMet name":"","Formula":"","Mass":"","MW structure":"","KEGG ID":"C00134","quantitated m/z":"89.10768116","retention times":"6.920456241"},{"Metabolite":"Pyridoxal","RefMet name":"Pyridoxal","Formula":"C8H9NO3","Mass":"167.0582","MW structure":"37862","KEGG ID":"C00250","quantitated m/z":"168.066435","retention times":"12.69594527"},{"Metabolite":"Pyridoxamine","RefMet name":"Pyridoxamine","Formula":"C8H12N2O2","Mass":"168.0899","MW structure":"37796","KEGG ID":"C00534","quantitated m/z":"169.0971228","retention times":"8.741032124"},{"Metabolite":"Pyridoxamine 5'-phosphate","RefMet name":"Pyridoxamine 5'-phosphate","Formula":"C8H13N2O5P","Mass":"248.0562","MW structure":"37868","KEGG ID":"C00647","quantitated m/z":"249.0632163","retention times":"15.09527514"},{"Metabolite":"Saccharopine","RefMet name":"Saccharopine","Formula":"C11H20N2O6","Mass":"276.1321","MW structure":"37177","KEGG ID":"C00449","quantitated m/z":"277.1374863","retention times":"15.4806433"},{"Metabolite":"SAM+","RefMet name":"","Formula":"","Mass":"","MW structure":"","KEGG ID":"C00019","quantitated m/z":"200.0762172","retention times":"10.39478846"},{"Metabolite":"Sarcosine","RefMet name":"Sarcosine","Formula":"C3H7NO2","Mass":"89.0477","MW structure":"37173","KEGG ID":"C00213","quantitated m/z":"90.05517455","retention times":"13.70209977"},{"Metabolite":"SDMA","RefMet name":"Symmetric dimethyl-arginine","Formula":"C8H18N4O2","Mass":"202.143","MW structure":"38294","KEGG ID":"-","quantitated m/z":"203.1505887","retention times":"11.37854507"},{"Metabolite":"Ser","RefMet name":"Serine","Formula":"C3H7NO3","Mass":"105.0426","MW structure":"37123","KEGG ID":"C00065","quantitated m/z":"106.0501767","retention times":"14.40936661"},{"Metabolite":"Serotonin","RefMet name":"Serotonin","Formula":"C10H12N2O","Mass":"176.095","MW structure":"37167","KEGG ID":"C00780","quantitated m/z":"177.102838","retention times":"12.73670754"},{"Metabolite":"Spermidine","RefMet name":"Spermidine","Formula":"C7H19N3","Mass":"145.1579","MW structure":"37687","KEGG ID":"C00315","quantitated m/z":"146.165307","retention times":"6.666272022"},{"Metabolite":"Synephrine","RefMet name":"","Formula":"","Mass":"","MW structure":"","KEGG ID":"C04548","quantitated m/z":"168.1014496","retention times":"13.0223278"},{"Metabolite":"Taurine","RefMet name":"Taurine","Formula":"C2H7NO3S","Mass":"125.0147","MW structure":"37162","KEGG ID":"C00245","quantitated m/z":"126.022347","retention times":"30.14369109"},{"Metabolite":"Thiamine","RefMet name":"Thiamine","Formula":"C12H17N4OS","Mass":"265.1123","MW structure":"37152","KEGG ID":"C00378","quantitated m/z":"265.1121627","retention times":"9.693636661"},{"Metabolite":"Thr","RefMet name":"Threonine","Formula":"C4H9NO3","Mass":"119.0582","MW structure":"37113","KEGG ID":"C00188","quantitated m/z":"120.065518","retention times":"15.15444104"},{"Metabolite":"Thymidine","RefMet name":"Thymidine","Formula":"C10H14N2O5","Mass":"242.0903","MW structure":"37175","KEGG ID":"C00214","quantitated m/z":"243.1041573","retention times":"30.23482957"},{"Metabolite":"Thymine","RefMet name":"Thymine","Formula":"C5H6N2O2","Mass":"126.0429","MW structure":"37168","KEGG ID":"C00178","quantitated m/z":"127.0400869","retention times":"30.22036924"},{"Metabolite":"Trigonelline","RefMet name":"Trigonelline","Formula":"C7H7NO2","Mass":"137.0477","MW structure":"37479","KEGG ID":"C01004","quantitated m/z":"138.0545088","retention times":"15.07748869"},{"Metabolite":"Trp","RefMet name":"Tryptophan","Formula":"C11H12N2O2","Mass":"204.0899","MW structure":"37505","KEGG ID":"C00078","quantitated m/z":"205.0970373","retention times":"15.85208681"},{"Metabolite":"Tryptamine","RefMet name":"Tryptamine","Formula":"C10H12N2","Mass":"160.1","MW structure":"37195","KEGG ID":"C00398","quantitated m/z":"161.10751","retention times":"12.10353492"},{"Metabolite":"Tyr","RefMet name":"Tyrosine","Formula":"C9H11NO3","Mass":"181.0739","MW structure":"37107","KEGG ID":"C00082","quantitated m/z":"182.0814093","retention times":"16.32807714"},{"Metabolite":"Tyramine","RefMet name":"Tyramine","Formula":"C8H11NO","Mass":"137.0841","MW structure":"37197","KEGG ID":"C00483","quantitated m/z":"138.0909979","retention times":"12.0564459"},{"Metabolite":"Uracil","RefMet name":"Uracil","Formula":"C4H4N2O2","Mass":"112.0273","MW structure":"37192","KEGG ID":"C00106","quantitated m/z":"113.0363286","retention times":"30.23231424"},{"Metabolite":"Urea","RefMet name":"Urea","Formula":"CH4N2O","Mass":"60.0324","MW structure":"37188","KEGG ID":"C00086","quantitated m/z":"61.04079187","retention times":"29.05646874"},{"Metabolite":"Uridine","RefMet name":"Uridine","Formula":"C9H12N2O6","Mass":"244.0695","MW structure":"37190","KEGG ID":"C00299","quantitated m/z":"245.082785","retention times":"30.22332155"},{"Metabolite":"Urocanate","RefMet name":"Urocanic acid","Formula":"C6H6N2O2","Mass":"138.0429","MW structure":"37193","KEGG ID":"C00785","quantitated m/z":"139.0498325","retention times":"12.05549493"},{"Metabolite":"Val","RefMet name":"Valine","Formula":"C5H11NO2","Mass":"117.079","MW structure":"37484","KEGG ID":"C00183","quantitated m/z":"118.0863954","retention times":"14.50446604"},{"Metabolite":"Xanthine","RefMet name":"Xanthine","Formula":"C5H4N4O2","Mass":"152.0334","MW structure":"37186","KEGG ID":"C00385","quantitated m/z":"153.0393186","retention times":"26.92555611"},{"Metabolite":"Xanthurenate","RefMet name":"Xanthurenic acid","Formula":"C10H7NO4","Mass":"205.0375","MW structure":"37483","KEGG ID":"C02470","quantitated m/z":"204.0300494","retention times":"11.89186312"},{"Metabolite":"1-Methylnicotinamide","RefMet name":"1-Methyl nicotinamide","Formula":"C7H9N2O","Mass":"137.0715","MW structure":"67157","KEGG ID":"C02918","quantitated m/z":"137.0706608","retention times":"10.73696471"},{"Metabolite":"1,3-Diaminopropane","RefMet name":"1,3-Diaminopropane","Formula":"C3H10N2","Mass":"74.0844","MW structure":"37023","KEGG ID":"C00986","quantitated m/z":"75.09233729","retention times":"6.486150344"},{"Metabolite":"2AB","RefMet name":"","Formula":"","Mass":"","MW structure":"","KEGG ID":"C02356","quantitated m/z":"104.0709972","retention times":"13.96668563"},{"Metabolite":"3-Aminoisobutyrate","RefMet name":"3-Amino-isobutanoic acid","Formula":"C4H9NO2","Mass":"103.0633","MW structure":"1878","KEGG ID":"C05145","quantitated m/z":"104.0710578","retention times":"11.42425927"},{"Metabolite":"3-Aminopropane-1,2-diol","RefMet name":"","Formula":"","Mass":"","MW structure":"","KEGG ID":"C06057","quantitated m/z":"92.07101983","retention times":"10.75113034"},{"Metabolite":"3-Hydroxyanthranilate","RefMet name":"3-Hydroxyanthranilic acid","Formula":"C7H7NO3","Mass":"153.0426","MW structure":"37817","KEGG ID":"C00632","quantitated m/z":"154.0504175","retention times":"15.46158514"},{"Metabolite":"3-Methylhistidine","RefMet name":"3-Methylhistidine","Formula":"C7H11N3O2","Mass":"169.0851","MW structure":"37269","KEGG ID":"C01152","quantitated m/z":"170.0919957","retention times":"10.93976875"},{"Metabolite":"4-(beta-Acetylaminoethyl)imidazole","RefMet name":"N-Acetylhistamine","Formula":"C7H11N3O","Mass":"153.0902","MW structure":"42275","KEGG ID":"C05135","quantitated m/z":"154.09674","retention times":"12.27188309"},{"Metabolite":"4-Hydroxymethylimidazole","RefMet name":"","Formula":"","Mass":"","MW structure":"","KEGG ID":"C05562","quantitated m/z":"99.05528773","retention times":"10.20396209"},{"Metabolite":"5-Aminolevulinate","RefMet name":"5-Amino-levulinic acid","Formula":"C5H9NO3","Mass":"131.0582","MW structure":"1879","KEGG ID":"C00430","quantitated m/z":"132.0690526","retention times":"11.63051749"},{"Metabolite":"5-Aminovalerate","RefMet name":"5-Aminopentanoic acid","Formula":"C5H11NO2","Mass":"117.079","MW structure":"1865","KEGG ID":"C00431","quantitated m/z":"118.0864125","retention times":"11.66209061"},{"Metabolite":"5-Hydroxyindoleacetate","RefMet name":"5-Hydroxyindoleacetic acid","Formula":"C10H9NO3","Mass":"191.0582","MW structure":"37412","KEGG ID":"C05635","quantitated m/z":"192.0656257","retention times":"30.47974596"},{"Metabolite":"5-Hydroxylysine","RefMet name":"5-Hydroxylysine","Formula":"C6H14N2O3","Mass":"162.1004","MW structure":"37255","KEGG ID":"C16741","quantitated m/z":"163.1079904","retention times":"10.46270984"},{"Metabolite":"5-Methylthioadenosine","RefMet name":"5'-Methylthioadenosine","Formula":"C11H15N5O3S","Mass":"297.0896","MW structure":"37638","KEGG ID":"C00170","quantitated m/z":"298.0962332","retention times":"14.56638391"},{"Metabolite":"6-Aminohexanoate","RefMet name":"Aminocaproic acid","Formula":"C6H13NO2","Mass":"131.0946","MW structure":"1860","KEGG ID":"C02378","quantitated m/z":"132.0998795","retention times":"12.2039722"},{"Metabolite":"6-Hydroxynicotinate","RefMet name":"6-Hydroxynicotinic acid","Formula":"C6H5NO3","Mass":"139.0269","MW structure":"38187","KEGG ID":"C01020","quantitated m/z":"140.0339956","retention times":"30.89298948"},{"Metabolite":"7-Methylguanine","RefMet name":"7-Methylguanine","Formula":"C6H7N5O","Mass":"165.0651","MW structure":"37489","KEGG ID":"C02242","quantitated m/z":"166.0724044","retention times":"11.96782614"}]
}

}