{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000692","ANALYSIS_ID":"AN001069","VERSION":"1","CREATED_ON":"June 30, 2017, 3:22 pm"},

"PROJECT":{"PROJECT_TITLE":"Stool and microbial metabolomics","PROJECT_TYPE":"MS analysis","PROJECT_SUMMARY":"Digestive tract metabolomics in the context of diet","INSTITUTE":"The Forsyth Institute","DEPARTMENT":"Microbiology","LABORATORY":"Izard Lab","LAST_NAME":"Izard","FIRST_NAME":"Jacques","ADDRESS":"Cambridge, MA","EMAIL":"jizard@forsyth.org","PHONE":"617-892-8279"},

"STUDY":{"STUDY_TITLE":"Metabolites produced by strains associated with inflammation","STUDY_TYPE":"MS analysis","STUDY_SUMMARY":"EXPERIMENT 1: identify commonalities and differences between species at late log phase. EXPERIMENT 2: identify commonalities and differences within a species in function of the media used for the subset of bacteria cultured in more than one media. EXPERIMENT 3: identify commonalities and differences within a species in function of the growth phase for the subset of strains for which more than one time point was taken during the growth phase. Factor 1: growth phase for this slow growers as defined by early, mid and late log phase. Factor 2:rich media used for growth which are either NOS or OMIZ supplemented or not of TPP (thiamine pyrophosphate) a required supplement for some strains. Factor 3: cell pellet and supernatant of culture in which bacetria excrete small molecules. Factor 4. the bacterial species. All those bacteria come from the same genus and have been isolated in function of inflmmatory conditions in human.","INSTITUTE":"University of Michigan","DEPARTMENT":"Biomedical Research Core Facilities","LABORATORY":"Metabolomics core","LAST_NAME":"Kachman","FIRST_NAME":"Maureen","ADDRESS":"6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714","EMAIL":"mkachman@med.umich.edu","PHONE":"(734) 232-8175","NUM_GROUPS":"27","TOTAL_SUBJECTS":"5"},

"SUBJECT":{"SUBJECT_TYPE":"Bacteria","SUBJECT_SPECIES":"Treponema pectinovorum","TAXONOMY_ID":"164"},
"SUBJECT_SAMPLE_FACTORS":[
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"Subject ID":"SU0004168",
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"COLLECTION":{"COLLECTION_SUMMARY":"-"},

"TREATMENT":{"TREATMENT_SUMMARY":"-"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"-","SAMPLEPREP_PROTOCOL_FILENAME":"A003 - Untargeted Metabolomics.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent","COLUMN_NAME":"Waters Acquity HSS T3 (50 x 2.1mm, 1.8um)"},

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"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Agilent 6530 QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE"},

"MS_METABOLITE_DATA":{
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}

}