{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000930","ANALYSIS_ID":"AN001524","VERSION":"1","CREATED_ON":"February 28, 2018, 11:28 am"},

"PROJECT":{"PROJECT_TITLE":"Alterations in the gut metabolome throughout C. difficile infection","PROJECT_SUMMARY":"C57BL/6 mice were treated with antibiotics to make them susceptible to C. difficile. Mice were challenged with C. difficile and the infection was monitored for 30 hours post challenge. Mice were sacrificed at 12 hr, 24 hr, and 30 hr post challenge with C. difficile and gut content was collected for untargeted metabolomic analysis. The aim of this project was to define the gut metabolome throughout C. difficile infection.","INSTITUTE":"North Carolina State University","DEPARTMENT":"Population Health and Pathobiology","LABORATORY":"Theriot","LAST_NAME":"Casey Theriot","FIRST_NAME":"Casey Theriot","ADDRESS":"1051 William Moore Drive, Raleigh, NC, 27607, USA","EMAIL":"cmtherio@ncsu.edu","PHONE":"9195130711","FUNDING_SOURCE":"NIGMS K01 and R35"},

"STUDY":{"STUDY_TITLE":"Define alterations in the gut metabolome of mice infected with C. difficile","STUDY_TYPE":"Time course experiment","STUDY_SUMMARY":"C57BL/6 mice were treated with antibiotics to make them susceptible to C. difficile. Mice were challenged with C. difficile and the infection was monitored for 30 hours post challenge. Mice were sacrificed at 0 hr, 12 hr, 24 hr, and 30 hr post challenge with C. difficile and gut content was collected for untargeted metabolomic analysis. The aim of this project was to define the gut metabolome throughout C. difficile infection.","INSTITUTE":"North Carolina State University","DEPARTMENT":"PHP","LABORATORY":"Theriot","LAST_NAME":"Theriot","FIRST_NAME":"Casey","ADDRESS":"1051 William Moore Drive","EMAIL":"cmtherio@ncsu.edu","PHONE":"919-513-0711","NUM_GROUPS":"4","TOTAL_SUBJECTS":"31","NUM_MALES":"16","NUM_FEMALES":"15"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090","GENOTYPE_STRAIN":"C57BL/6","AGE_OR_AGE_RANGE":"5-8","GENDER":"Male and female","ANIMAL_LIGHT_CYCLE":"12 hr cycle of light and darkness"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"CD_0hr_2",
"Factors":{"Hours":"-"}
},
{
"Subject ID":"-",
"Sample ID":"CD_0hr_3",
"Factors":{"Hours":"-"}
},
{
"Subject ID":"-",
"Sample ID":"CD_0hr_4",
"Factors":{"Hours":"-"}
},
{
"Subject ID":"-",
"Sample ID":"CD_0hr_5",
"Factors":{"Hours":"-"}
},
{
"Subject ID":"-",
"Sample ID":"CD_0hr_6",
"Factors":{"Hours":"-"}
},
{
"Subject ID":"-",
"Sample ID":"CD_0hr_7",
"Factors":{"Hours":"-"}
},
{
"Subject ID":"-",
"Sample ID":"CD_0hr_8",
"Factors":{"Hours":"-"}
},
{
"Subject ID":"-",
"Sample ID":"CD_12hr_1",
"Factors":{"Hours":"12"}
},
{
"Subject ID":"-",
"Sample ID":"CD_12hr_2",
"Factors":{"Hours":"12"}
},
{
"Subject ID":"-",
"Sample ID":"CD_12hr_3",
"Factors":{"Hours":"12"}
},
{
"Subject ID":"-",
"Sample ID":"CD_12hr_4",
"Factors":{"Hours":"12"}
},
{
"Subject ID":"-",
"Sample ID":"CD_12hr_5",
"Factors":{"Hours":"12"}
},
{
"Subject ID":"-",
"Sample ID":"CD_12hr_6",
"Factors":{"Hours":"12"}
},
{
"Subject ID":"-",
"Sample ID":"CD_12hr_7",
"Factors":{"Hours":"12"}
},
{
"Subject ID":"-",
"Sample ID":"CD_12hr_8",
"Factors":{"Hours":"12"}
},
{
"Subject ID":"-",
"Sample ID":"CD_24hr_1",
"Factors":{"Hours":"24"}
},
{
"Subject ID":"-",
"Sample ID":"CD_24hr_2",
"Factors":{"Hours":"24"}
},
{
"Subject ID":"-",
"Sample ID":"CD_24hr_3",
"Factors":{"Hours":"24"}
},
{
"Subject ID":"-",
"Sample ID":"CD_24hr_4",
"Factors":{"Hours":"24"}
},
{
"Subject ID":"-",
"Sample ID":"CD_24hr_5",
"Factors":{"Hours":"24"}
},
{
"Subject ID":"-",
"Sample ID":"CD_24hr_6",
"Factors":{"Hours":"24"}
},
{
"Subject ID":"-",
"Sample ID":"CD_24hr_7",
"Factors":{"Hours":"24"}
},
{
"Subject ID":"-",
"Sample ID":"CD_24hr_8",
"Factors":{"Hours":"24"}
},
{
"Subject ID":"-",
"Sample ID":"CD_30hr_1",
"Factors":{"Hours":"30"}
},
{
"Subject ID":"-",
"Sample ID":"CD_30hr_2",
"Factors":{"Hours":"30"}
},
{
"Subject ID":"-",
"Sample ID":"CD_30hr_3",
"Factors":{"Hours":"30"}
},
{
"Subject ID":"-",
"Sample ID":"CD_30hr_4",
"Factors":{"Hours":"30"}
},
{
"Subject ID":"-",
"Sample ID":"CD_30hr_5",
"Factors":{"Hours":"30"}
},
{
"Subject ID":"-",
"Sample ID":"CD_30hr_6",
"Factors":{"Hours":"30"}
},
{
"Subject ID":"-",
"Sample ID":"CD_30hr_7",
"Factors":{"Hours":"30"}
},
{
"Subject ID":"-",
"Sample ID":"CD_30hr_8",
"Factors":{"Hours":"30"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Cecal content was collected from mice at the time of necropsy and flash frozen in liquid nitrogen until later metabolomics analysis.","SAMPLE_TYPE":"Cecum","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"Mice were treated with cefoperazone in their drinking water for 5 days with a two day washout before being challenged with C. difficile spores. Mice were euthanized at time 0hr, prior to C. difficile challenge, and post challenge at 12, 24, and 30 hr. The cecum of mice was collected, flash frozen and stored in the -80C until processing."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Samples were prepared using the automated MicroLab STAR® system from Hamilton Company. Several recovery standards were added prior to the first step in the extraction process for QC purposes. To remove protein, dissociate small molecules bound to protein or trapped in the precipitated protein matrix, and to recover chemically diverse metabolites, proteins were precipitated with methanol under vigorous shaking for 2 min (Glen Mills GenoGrinder 2000) followed by centrifugation. The resulting extract was divided into five fractions: two for analysis by two separate reverse phase (RP)/UPLC-MS/MS methods with positive ion mode electrospray ionization (ESI), one for analysis by RP/UPLC-MS/MS with negative ion mode ESI, one for analysis by HILIC/UPLC-MS/MS with negative ion mode ESI, and one sample was reserved for backup. Samples were placed briefly on a TurboVap® (Zymark) to remove the organic solvent. The sample extracts were stored overnight under nitrogen before preparation for analysis."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Waters Acquity","COLUMN_NAME":"Waters Acquity BEH C8 (100 x 2mm, 1.7um)"},

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

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"UNSPECIFIED"},

"MS_METABOLITE_DATA":{
"Units":"scaled intensity",

"Data":[{"Metabolite":"1-methylguanidine","CD_0hr_2":"0.984","CD_0hr_3":"0.7894","CD_0hr_4":"0.8729","CD_0hr_5":"1.0914","CD_0hr_6":"0.9587","CD_0hr_7":"1.1796","CD_0hr_8":"0.9174","CD_12hr_1":"1.1733","CD_12hr_2":"0.8528","CD_12hr_3":"1.1133","CD_12hr_4":"1.1951","CD_12hr_5":"1.105","CD_12hr_6":"1.016","CD_12hr_7":"1.1896","CD_12hr_8":"0.9096","CD_24hr_1":"1.1861","CD_24hr_2":"0.9142","CD_24hr_3":"1.7122","CD_24hr_4":"1.4407","CD_24hr_5":"0.9336","CD_24hr_6":"1.5276","CD_24hr_7":"1.3811","CD_24hr_8":"1.5528","CD_30hr_1":"1.0567","CD_30hr_2":"0.6409","CD_30hr_3":"0.4843","CD_30hr_4":"0.7659","CD_30hr_5":"0.848","CD_30hr_6":"0.325","CD_30hr_7":"0.842","CD_30hr_8":"0.2742"},{"Metabolite":"1-methylhistidine","CD_0hr_2":"0.6802","CD_0hr_3":"1.0663","CD_0hr_4":"0.6056","CD_0hr_5":"0.7408","CD_0hr_6":"0.7449","CD_0hr_7":"1.2943","CD_0hr_8":"1.8532","CD_12hr_1":"0.5905","CD_12hr_2":"0.2591","CD_12hr_3":"0.3231","CD_12hr_4":"0.6509","CD_12hr_5":"0.4628","CD_12hr_6":"0.8822","CD_12hr_7":"0.2464","CD_12hr_8":"0.3561","CD_24hr_1":"0.5379","CD_24hr_2":"0.6286","CD_24hr_3":"0.8172","CD_24hr_4":"1.0606","CD_24hr_5":"2.0462","CD_24hr_6":"1.0823","CD_24hr_7":"1.7498","CD_24hr_8":"0.9394","CD_30hr_1":"1.8924","CD_30hr_2":"3.7912","CD_30hr_3":"6.0825","CD_30hr_4":"5.7926","CD_30hr_5":"6.1529","CD_30hr_6":"5.5603","CD_30hr_7":"2.3905","CD_30hr_8":"1.8029"},{"Metabolite":"1-methylimidazoleacetate","CD_0hr_2":"0.7762","CD_0hr_3":"1.0735","CD_0hr_4":"0.7472","CD_0hr_5":"1.004","CD_0hr_6":"0.9759","CD_0hr_7":"1.0262","CD_0hr_8":"1.483","CD_12hr_1":"1.1759","CD_12hr_2":"0.9652","CD_12hr_3":"0.7578","CD_12hr_4":"0.7461","CD_12hr_5":"0.921","CD_12hr_6":"1.2903","CD_12hr_7":"0.6031","CD_12hr_8":"0.7235","CD_24hr_1":"1.0693","CD_24hr_2":"1.0663","CD_24hr_3":"2.0031","CD_24hr_4":"1.6137","CD_24hr_5":"0.6636","CD_24hr_6":"1.0441","CD_24hr_7":"0.999","CD_24hr_8":"1.7082","CD_30hr_1":"2.6111","CD_30hr_2":"0.7757","CD_30hr_3":"0.8609","CD_30hr_4":"1.001","CD_30hr_5":"0.8172","CD_30hr_6":"0.4997","CD_30hr_7":"1.1094","CD_30hr_8":"0.4743"},{"Metabolite":"2-(4-hydroxyphenyl)propionate","CD_0hr_2":"0.0022","CD_0hr_3":"0.0022","CD_0hr_4":"0.0022","CD_0hr_5":"0.0022","CD_0hr_6":"0.0022","CD_0hr_7":"0.0022","CD_0hr_8":"0.0022","CD_12hr_1":"0.0022","CD_12hr_2":"0.0022","CD_12hr_3":"0.0022","CD_12hr_4":"0.0022","CD_12hr_5":"0.0022","CD_12hr_6":"0.0022","CD_12hr_7":"0.0022","CD_12hr_8":"0.0022","CD_24hr_1":"0.0022","CD_24hr_2":"0.0022","CD_24hr_3":"0.0022","CD_24hr_4":"0.0022","CD_24hr_5":"0.0022","CD_24hr_6":"0.0022","CD_24hr_7":"0.0022","CD_24hr_8":"0.0022","CD_30hr_1":"0.0022","CD_30hr_2":"0.0022","CD_30hr_3":"0.0022","CD_30hr_4":"0.0022","CD_30hr_5":"0.0022","CD_30hr_6":"0.0022","CD_30hr_7":"0.0022","CD_30hr_8":"0.0022"},{"Metabolite":"2-aminoadipate","CD_0hr_2":"0.9208","CD_0hr_3":"0.9956","CD_0hr_4":"0.9647","CD_0hr_5":"1.1309","CD_0hr_6":"0.9785","CD_0hr_7":"1.014","CD_0hr_8":"1.1091","CD_12hr_1":"1.0998","CD_12hr_2":"1.0666","CD_12hr_3":"1.081","CD_12hr_4":"1.0044","CD_12hr_5":"1.1071","CD_12hr_6":"1.1846","CD_12hr_7":"0.8745","CD_12hr_8":"0.994","CD_24hr_1":"1.1678","CD_24hr_2":"1.219","CD_24hr_3":"1.1651","CD_24hr_4":"1.1824","CD_24hr_5":"0.7754","CD_24hr_6":"1.0503","CD_24hr_7":"1.1294","CD_24hr_8":"1.0546","CD_30hr_1":"0.7327","CD_30hr_2":"0.702","CD_30hr_3":"0.4951","CD_30hr_4":"0.5876","CD_30hr_5":"0.6379","CD_30hr_6":"0.3619","CD_30hr_7":"0.79","CD_30hr_8":"0.1138"},{"Metabolite":"2-aminobutyrate","CD_0hr_2":"0.3195","CD_0hr_3":"0.2915","CD_0hr_4":"0.2353","CD_0hr_5":"0.2484","CD_0hr_6":"0.2253","CD_0hr_7":"0.2964","CD_0hr_8":"0.3544","CD_12hr_1":"0.5845","CD_12hr_2":"1.3611","CD_12hr_3":"0.377","CD_12hr_4":"0.4502","CD_12hr_5":"0.5363","CD_12hr_6":"0.8797","CD_12hr_7":"0.3545","CD_12hr_8":"0.5953","CD_24hr_1":"1.1203","CD_24hr_2":"0.7811","CD_24hr_3":"1.5406","CD_24hr_4":"0.6449","CD_24hr_5":"5.1024","CD_24hr_6":"1.8687","CD_24hr_7":"1.5844","CD_24hr_8":"1.6013","CD_30hr_1":"1.6637","CD_30hr_2":"8.1732","CD_30hr_3":"8.6769","CD_30hr_4":"10.6602","CD_30hr_5":"7.3967","CD_30hr_6":"7.6577","CD_30hr_7":"3.7448","CD_30hr_8":"1.3883"},{"Metabolite":"2-hydroxy-3-methylvalerate","CD_0hr_2":"0.9693","CD_0hr_3":"1.1767","CD_0hr_4":"1.0626","CD_0hr_5":"1.8218","CD_0hr_6":"1.5196","CD_0hr_7":"1.5976","CD_0hr_8":"2.6261","CD_12hr_1":"1.0119","CD_12hr_2":"1.1523","CD_12hr_3":"0.9881","CD_12hr_4":"0.966","CD_12hr_5":"1.3375","CD_12hr_6":"0.1954","CD_12hr_7":"0.8912","CD_12hr_8":"1.2112","CD_24hr_1":"0.3502","CD_24hr_2":"1.4914","CD_24hr_3":"2.3606","CD_24hr_4":"2.1394","CD_24hr_5":"0.905","CD_24hr_6":"3.6899","CD_24hr_7":"2.3916","CD_24hr_8":"3.2576","CD_30hr_1":"0.3596","CD_30hr_2":"0.6114","CD_30hr_3":"0.4959","CD_30hr_4":"0.4821","CD_30hr_5":"0.6802","CD_30hr_6":"0.3861","CD_30hr_7":"0.7256","CD_30hr_8":"0.0861"},{"Metabolite":"2-hydroxybutyrate/2-hydroxyisobutyrate","CD_0hr_2":"0.1271","CD_0hr_3":"0.1476","CD_0hr_4":"0.1271","CD_0hr_5":"0.1999","CD_0hr_6":"0.2413","CD_0hr_7":"0.1555","CD_0hr_8":"0.2871","CD_12hr_1":"0.3973","CD_12hr_2":"0.4828"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"Metabolites":[{"metabolite_name":"1-methylguanidine"},{"metabolite_name":"1-methylhistidine"},{"metabolite_name":"1-methylimidazoleacetate"},{"metabolite_name":"2-(4-hydroxyphenyl)propionate"},{"metabolite_name":"2-aminoadipate"},{"metabolite_name":"2-aminobutyrate"},{"metabolite_name":"2-hydroxy-3-methylvalerate"},{"metabolite_name":"2-hydroxybutyrate/2-hydroxyisobutyrate"},{"metabolite_name":"2-methylbutyrylcarnitine (C5)"},{"metabolite_name":"3-(4-hydroxyphenyl)lactate"},{"metabolite_name":"3-hydroxyisobutyrate"},{"metabolite_name":"3-methyl-2-oxobutyrate"},{"metabolite_name":"3-methyl-2-oxovalerate"},{"metabolite_name":"3-methylhistidine"},{"metabolite_name":"3-sulfo-L-alanine"},{"metabolite_name":"4-acetamidobutanoate"},{"metabolite_name":"4-guanidinobutanoate"},{"metabolite_name":"4-hydroxycinnamate"},{"metabolite_name":"4-hydroxycinnamate 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sulfate (2)"},{"metabolite_name":"daidzin"},{"metabolite_name":"diaminopimelate"},{"metabolite_name":"digalacturonic acid"},{"metabolite_name":"dihydroferulic acid"},{"metabolite_name":"ectoine"},{"metabolite_name":"equol"},{"metabolite_name":"equol glucuronide"},{"metabolite_name":"equol sulfate"},{"metabolite_name":"ergothioneine"},{"metabolite_name":"erythritol"},{"metabolite_name":"ferulate"},{"metabolite_name":"ferulic acid 4-sulfate"},{"metabolite_name":"feruloylputrescine"},{"metabolite_name":"ferulylglycine (1)"},{"metabolite_name":"ferulylglycine (2)"},{"metabolite_name":"formononetin"},{"metabolite_name":"galactarate (mucic acid)"},{"metabolite_name":"genistein"},{"metabolite_name":"gluconate"},{"metabolite_name":"glycitein"},{"metabolite_name":"glycitin"},{"metabolite_name":"indolin-2-one"},{"metabolite_name":"methyl glucopyranoside (alpha + beta)"},{"metabolite_name":"methyl indole-3-acetate"},{"metabolite_name":"naringenin"},{"metabolite_name":"naringenin 7-glucuronide"},{"metabolite_name":"N-glycolylneuraminate"},{"metabolite_name":"nicotianamine"},{"metabolite_name":"O-sulfo-L-tyrosine"},{"metabolite_name":"pheophorbide A"},{"metabolite_name":"pyrraline"},{"metabolite_name":"quinate"},{"metabolite_name":"S-(3-hydroxypropyl)mercapturic acid (HPMA)"},{"metabolite_name":"salicylate"},{"metabolite_name":"sinapate"},{"metabolite_name":"soyasaponin I"},{"metabolite_name":"soyasaponin II"},{"metabolite_name":"soyasaponin III"},{"metabolite_name":"stachydrine"},{"metabolite_name":"succinimide"},{"metabolite_name":"sulfate"},{"metabolite_name":"syringic acid"},{"metabolite_name":"tartarate"},{"metabolite_name":"tartronate (hydroxymalonate)"},{"metabolite_name":"vanillin sulfate"}]
}

}