{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001300","ANALYSIS_ID":"AN002165","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":"COSMO(+), i.d.50 µm(anion","INTERNAL_STANDARD":"20 μM of D-camphor-10-sulfonic acid (CSA)"},

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

"MS":{"INSTRUMENT_NAME":"Agilent G3250AA LC/MSD TOF system","INSTRUMENT_TYPE":"Other","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"In-house software (MasterHands) was used for peak area integration and annotation."},

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

"Data":[{"Metabolite":"Acetyl 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18":"37"},{"Metabolite":"Malonate","FMT1":"256","FMT2":"342","FMT3":"289","FMT4":"129","FMT5":"157","FMT6":"185","FMT7":"200","FMT8":"419","FMT9":"224","FMT10":"199","FMT11":"109","FMT12":"141","FMT13":"0","FMT14":"0","FMT15":"0","FMT16":"0","FMT17":"0","FMT18":"0"},{"Metabolite":"N-Acetylaspartate","FMT1":"71","FMT2":"133","FMT3":"68","FMT4":"92","FMT5":"75","FMT6":"90","FMT7":"63","FMT8":"58","FMT9":"46","FMT10":"180","FMT11":"99","FMT12":"116","FMT13":"76","FMT14":"90","FMT15":"44","FMT16":"51","FMT17":"81","FMT18":"102"},{"Metabolite":"N-Acetylglucosamine 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structure":"37902","KEGG ID":"C00311","quantitated m/z":"191.0219481","retention times":"9.181842428"},{"Metabolite":"Lactate","RefMet name":"Lactic acid","Formula":"C3H6O3","Mass":"90.0317","MW structure":"37125","KEGG ID":"C00186","quantitated m/z":"89.02674018","retention times":"13.00195949"},{"Metabolite":"Malate","RefMet name":"Malic acid","Formula":"C4H6O5","Mass":"134.0215","MW structure":"37105","KEGG ID":"C00711","quantitated m/z":"133.0160555","retention times":"9.757743681"},{"Metabolite":"Malonate","RefMet name":"Malonic acid","Formula":"C3H4O4","Mass":"104.011","MW structure":"1964","KEGG ID":"C00383","quantitated m/z":"103.005655","retention times":"9.016626866"},{"Metabolite":"N-Acetylaspartate","RefMet name":"N-Acetylaspartic acid","Formula":"C6H9NO5","Mass":"175.0481","MW structure":"37441","KEGG ID":"C01042","quantitated m/z":"174.0423207","retention times":"11.03896136"},{"Metabolite":"N-Acetylglucosamine 1-phosphate","RefMet 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structure":"37419","KEGG ID":"C00270","quantitated m/z":"308.1016296","retention times":"19.68979693"},{"Metabolite":"NAD+","RefMet name":"NAD+","Formula":"C21H28N7O14P2","Mass":"664.117","MW structure":"71883","KEGG ID":"C00003","quantitated m/z":"662.1047645","retention times":"23.19661566"},{"Metabolite":"NADP+","RefMet name":"NADP+","Formula":"C21H29N7O17P3","Mass":"744.0833","MW structure":"67508","KEGG ID":"C00006","quantitated m/z":"742.0692512","retention times":"14.37588657"},{"Metabolite":"Nicotinate","RefMet name":"Nicotinic acid","Formula":"C6H5NO2","Mass":"123.032","MW structure":"37821","KEGG ID":"C00253","quantitated m/z":"122.0266557","retention times":"13.81286358"},{"Metabolite":"Octanoate","RefMet name":"","Formula":"","Mass":"","MW structure":"","KEGG ID":"C06423","quantitated m/z":"143.1081665","retention times":"16.23847916"},{"Metabolite":"O-Phosphoserine","RefMet name":"Phosphoserine","Formula":"C3H8NO6P","Mass":"185.0089","MW structure":"37174","KEGG ID":"C01005","quantitated m/z":"184.0038976","retention times":"11.97183557"},{"Metabolite":"Pantothenate","RefMet name":"Pantothenic acid","Formula":"C9H17NO5","Mass":"219.1107","MW structure":"49832","KEGG ID":"C00864","quantitated m/z":"218.1055363","retention times":"17.97976033"},{"Metabolite":"Pelargonate","RefMet name":"Pelargonic acid","Formula":"C9H18O2","Mass":"158.1307","MW structure":"31","KEGG ID":"C01601","quantitated m/z":"157.124349","retention times":"16.76546603"},{"Metabolite":"Pentanoate","RefMet name":"Valeric acid","Formula":"C5H10O2","Mass":"102.0681","MW structure":"27","KEGG ID":"C00803","quantitated m/z":"101.0628284","retention times":"14.55196157"},{"Metabolite":"Phthalate","RefMet name":"Phthalic acid","Formula":"C8H6O4","Mass":"166.0266","MW structure":"38024","KEGG ID":"C01606","quantitated m/z":"165.0217323","retention times":"10.83012319"},{"Metabolite":"p-Hydroxyphenylacetate","RefMet name":"p-Hydroxyphenylacetic acid","Formula":"C8H8O3","Mass":"152.0473","MW structure":"37028","KEGG ID":"C00642","quantitated m/z":"151.0365105","retention times":"15.47203705"},{"Metabolite":"Pimelate","RefMet name":"Pimelic acid","Formula":"C7H12O4","Mass":"160.0736","MW structure":"1973","KEGG ID":"C02656","quantitated m/z":"159.0673726","retention times":"11.37173905"},{"Metabolite":"Proline betaine","RefMet name":"Proline betaine","Formula":"C7H13NO2","Mass":"143.0946","MW structure":"38560","KEGG ID":"C10172","quantitated m/z":"144.1021176","retention times":"16.5816922"},{"Metabolite":"Propionate","RefMet name":"Propionic acid","Formula":"C3H6O2","Mass":"74.0368","MW structure":"25","KEGG ID":"C00163","quantitated m/z":"73.03124809","retention times":"12.86608581"},{"Metabolite":"Ru5P","RefMet name":"","Formula":"","Mass":"","MW structure":"","KEGG ID":"C00199","quantitated m/z":"229.0131693","retention times":"12.79160014"},{"Metabolite":"S7P","RefMet name":"Sedoheptulose 7-phosphate","Formula":"C7H15O10P","Mass":"290.0403","MW structure":"50236","KEGG ID":"C05382","quantitated m/z":"289.0336134","retention times":"14.08889675"},{"Metabolite":"Sebacate","RefMet name":"Sebacic acid","Formula":"C10H18O4","Mass":"202.1205","MW structure":"1930","KEGG ID":"C08277","quantitated m/z":"201.1152646","retention times":"12.42562343"},{"Metabolite":"Shikimate","RefMet name":"Shikimic acid","Formula":"C7H10O5","Mass":"174.0528","MW structure":"38244","KEGG ID":"C00493","quantitated m/z":"173.0526311","retention times":"16.54962052"},{"Metabolite":"Succinate","RefMet name":"Succinic acid","Formula":"C4H6O4","Mass":"118.0266","MW structure":"1966","KEGG ID":"C00042","quantitated m/z":"117.0215267","retention times":"9.814569915"},{"Metabolite":"Taurocholate","RefMet name":"Taurocholic acid","Formula":"C26H45NO7S","Mass":"515.2917","MW structure":"36987","KEGG ID":"C05122","quantitated m/z":"514.2872823","retention times":"22.42811515"},{"Metabolite":"Threonate","RefMet name":"D-Threonic acid","Formula":"C4H8O5","Mass":"136.0372","MW structure":"37513","KEGG ID":"C01620","quantitated m/z":"135.0412792","retention times":"14.66825596"},{"Metabolite":"trans-4-Hydroxy-3-methoxycinnamate","RefMet name":"trans-Ferulic acid","Formula":"C10H10O4","Mass":"194.0579","MW structure":"37517","KEGG ID":"C01494","quantitated m/z":"193.0462565","retention times":"16.12651311"},{"Metabolite":"UDP","RefMet name":"UDP","Formula":"C9H14N2O12P2","Mass":"404.0022","MW structure":"37189","KEGG ID":"C00015","quantitated m/z":"402.9973413","retention times":"12.33262015"},{"Metabolite":"UDP-glucose","RefMet name":"UDP-glucose","Formula":"C15H24N2O17P2","Mass":"566.055","MW structure":"37181","KEGG ID":"C00029","quantitated m/z":"565.0481094","retention times":"15.57638195"},{"Metabolite":"UDP-glucuronate","RefMet name":"UDP-glucuronic acid","Formula":"C15H22N2O18P2","Mass":"580.0343","MW structure":"37509","KEGG ID":"C00167","quantitated m/z":"579.0307673","retention times":"12.75689559"},{"Metabolite":"UDP-N-acetylglucosamine","RefMet name":"UDP-N-acetylglucosamine","Formula":"C17H27N3O17P2","Mass":"607.0816","MW structure":"37184","KEGG ID":"C00043","quantitated m/z":"606.0760796","retention times":"15.94472992"},{"Metabolite":"UMP","RefMet name":"UMP","Formula":"C9H13N2O9P","Mass":"324.0359","MW structure":"37182","KEGG ID":"C00105","quantitated m/z":"323.0303176","retention times":"13.85972304"},{"Metabolite":"Urate","RefMet name":"Uric acid","Formula":"C5H4N4O3","Mass":"168.0283","MW structure":"37183","KEGG ID":"C00366","quantitated m/z":"167.0249072","retention times":"15.11107934"},{"Metabolite":"2,5-Dihydroxybenzoate","RefMet name":"Gentisic acid","Formula":"C7H6O4","Mass":"154.0266","MW structure":"37104","KEGG ID":"C00628","quantitated m/z":"153.0208301","retention times":"14.24110687"},{"Metabolite":"2-Hydroxybutyrate","RefMet name":"2-Hydroxybutyric acid","Formula":"C4H8O3","Mass":"104.0473","MW structure":"1281","KEGG ID":"C05984","quantitated m/z":"103.0415956","retention times":"13.95212232"},{"Metabolite":"2-Hydroxyglutarate","RefMet name":"2-Hydroxyglutaric acid","Formula":"C5H8O5","Mass":"148.0372","MW structure":"37369","KEGG ID":"C02630","quantitated m/z":"147.0318849","retention times":"10.42317271"},{"Metabolite":"2-Hydroxypentanoate","RefMet name":"2-Hydroxyvaleric acid","Formula":"C5H10O3","Mass":"118.063","MW structure":"1284","KEGG ID":"-","quantitated m/z":"117.0575493","retention times":"14.67812679"},{"Metabolite":"2-Isopropylmalate","RefMet name":"2-Isopropylmalic acid","Formula":"C7H12O5","Mass":"176.0685","MW structure":"2004","KEGG ID":"C02504","quantitated m/z":"175.063138","retention times":"11.3300196"},{"Metabolite":"2-Oxoglutarate","RefMet name":"Oxoglutaric acid","Formula":"C5H6O5","Mass":"146.0215","MW structure":"37135","KEGG ID":"C00026","quantitated m/z":"145.0124468","retention times":"9.732177428"},{"Metabolite":"2-Oxoisopentanoate","RefMet name":"","Formula":"","Mass":"","MW structure":"","KEGG ID":"C00141","quantitated m/z":"115.0420622","retention times":"13.48647248"},{"Metabolite":"3-Hydroxybutyrate","RefMet name":"3-Hydroxybutyric acid","Formula":"C4H8O3","Mass":"104.0473","MW structure":"1282","KEGG ID":"C01089","quantitated m/z":"103.0416645","retention times":"14.23696061"},{"Metabolite":"3-Methylbutanoate","RefMet name":"Isovaleric acid","Formula":"C5H10O2","Mass":"102.0681","MW structure":"246","KEGG ID":"C08262","quantitated m/z":"101.0627531","retention times":"14.69038207"},{"Metabolite":"3PG","RefMet name":"3-Phosphoglyceric acid","Formula":"C3H7O7P","Mass":"185.9929","MW structure":"51044","KEGG ID":"C00197","quantitated m/z":"184.9873909","retention times":"9.945912246"},{"Metabolite":"3-Phenyllactate","RefMet name":"","Formula":"","Mass":"","MW structure":"","KEGG ID":"C05607","quantitated m/z":"165.0480957","retention times":"15.64226934"},{"Metabolite":"3-Phenylpropionate","RefMet name":"Hydrocinnamic acid","Formula":"C9H10O2","Mass":"150.0681","MW structure":"37413","KEGG ID":"C05629","quantitated m/z":"149.0533885","retention times":"15.44724486"},{"Metabolite":"4-Oxopentanoate","RefMet name":"","Formula":"","Mass":"","MW structure":"","KEGG ID":"-","quantitated m/z":"115.0418633","retention times":"13.96850234"},{"Metabolite":"4-Pyridoxate","RefMet name":"4-Pyridoxic acid","Formula":"C8H9NO4","Mass":"183.0532","MW structure":"37027","KEGG ID":"C00847","quantitated m/z":"182.0470745","retention times":"15.43650036"},{"Metabolite":"5-Oxoproline","RefMet name":"Pyroglutamic acid","Formula":"C5H7NO3","Mass":"129.0426","MW structure":"37171","KEGG ID":"C01879","quantitated m/z":"128.0371707","retention times":"14.27862147"}]
}

}