{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000019","ANALYSIS_ID":"AN000038","VERSION":"1","CREATED_ON":"2016-09-17"},

"PROJECT":{"PROJECT_TITLE":"Isotopic Ratio Outlier Analysis Global Metabolomics ofCaenorhabditis elegans","PROJECT_TYPE":"IROA labeling study","PROJECT_SUMMARY":"We demonstrate the global metabolic analysis ofCaenorhabditis elegansstress using a mass-spectrometry-based technique called isotopic ratio outlier (IROA). In an IROA protocol, control and experimental samples are isotopically with 95 and 5%13C, and the two sample populations are mixed together for extraction, sample preparation, and LC-MS analysis.To illustrate the utility of for global metabolomics, we exposed wild-type (N2) worms to a heat shock (30 heat shock at 33 C), which causes significant, widespread changes in We collected and analyzed material from the exometabolome (all material that release in the supernatant) and the endometabolome (homogenized total extracts the worm bodies).","INSTITUTE":"University of Florida","DEPARTMENT":"Biochemistry & Molecular Biology","LABORATORY":"Edison","LAST_NAME":"Edison","FIRST_NAME":"Arthur","ADDRESS":"R3-226 Academic Research Building, Department of Biochemistry & Molecular PO Box 100245, Gainesville, FL 32610-0245","EMAIL":"aedison@ufl.edu","PHONE":"(352) 392-4535"},

"STUDY":{"STUDY_TITLE":"Determine purity and quality of IROA labelled glucose","STUDY_TYPE":"NMR and MS analysis","STUDY_SUMMARY":"We demonstrate the global metabolic analysis ofCaenorhabditis elegansstress using a mass-spectrometry-based technique called isotopic ratio outlier (IROA). In an IROA protocol, control and experimental samples are isotopically with 95 and 5%13C, and the two sample populations are mixed together for extraction, sample preparation, and LC-MS analysis.To illustrate the utility of for global metabolomics, we exposed wild-type (N2) worms to a heat shock (30 heat shock at 33 C), which causes significant, widespread changes in We collected and analyzed material from the exometabolome (all material that release in the supernatant) and the endometabolome (homogenized total extracts the worm bodies).","INSTITUTE":"University of Florida","DEPARTMENT":"Biochemistry & Molecular Biology","LAST_NAME":"Stupp","FIRST_NAME":"Gregory","ADDRESS":"-","EMAIL":"stuppie@ufl.edu","PHONE":"-","STUDY_COMMENTS":"Determine purity and quality of IROA labelled glucose"},

"SUBJECT":{"SUBJECT_TYPE":"-","SUBJECT_SPECIES":"N/A"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"5p",
"Factors":{"%13C":"0.05"}
},
{
"Subject ID":"-",
"Sample ID":"95p",
"Factors":{"%13C":"0.95"}
},
{
"Subject ID":"-",
"Sample ID":"Blank",
"Factors":{"%13C":"none"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"none"},

"TREATMENT":{"TREATMENT_SUMMARY":"none"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"-","SAMPLEPREP_PROTOCOL_FILENAME":"IROAGlucoseNMR_Feb11_2014.txt","SAMPLEPREP_PROTOCOL_COMMENTS":"5%: 10.7 mg dissolved in 594 L of 99% D2O and 6 L of 111.11 mM d4-TSP in D2O 2.8 mg dissolved in 594 L of 99% D2O and 6 L of 111.11 mM d4-TSP in D2O Blank: L of 99% D2O and 6 L of 111.11 mM d4-TSP in D2O"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Accela 1250","COLUMN_NAME":"Thermo Scientific Gold aQ","CHROMATOGRAPHY_COMMENTS":"100% solvent A for 1 min followed by a linear gradient to 20% B in 6 min, a gradient to 60% B in 2 min, a linear gradient to 95% B in 4 min, held for 2 and a 3.5 min return to the starting composition","COLUMN_TEMPERATURE":"40C","FLOW_RATE":"600 uL/min","SAMPLE_INJECTION":"3 uL","SOLVENT_A":"0.1% formic acid in water","SOLVENT_B":"0.1% formic acid in acetonitrile","ANALYTICAL_TIME":"18.5 min"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","SOFTWARE_VERSION":"Thermo Xcalibur Qual Browser 2.2"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"LCMSmethod.rtf","MASS_ACCURACY":"1.5 ppm","SPRAY_VOLTAGE":"3kV","RESOLUTION_SETTING":"70000"},

"MS_METABOLITE_DATA":{
"Units":"N/A",

"Data":[{"Metabolite":"no data","5p":"","95p":"","Blank":""}],

"Metabolites":[{"metabolite_name":"no data"}]
}

}