{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000019","ANALYSIS_ID":"AN000037","VERSION":"1","CREATED_ON":"10-02-2015"},

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

"SUBJECT":{"SUBJECT_SPECIES":"N/A","SUBJECT_TYPE":"-"},
"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_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 95%: 2.8 mg dissolved in 594 L of 99% D2O and 6 L of 111.11 mM d4-TSP in D2O Blank: 594 L of 99% D2O and 6 L of 111.11 mM d4-TSP in D2O","SAMPLEPREP_SUMMARY":"-"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"-","INSTRUMENT_NAME":"Thermo Accela 1250","COLUMN_NAME":"-"},

"ANALYSIS":{"ANALYSIS_TYPE":"NMR","ACQUISITION_PARAMETERS_FILE":"NMR_Methods.docx","PROCESSING_PARAMETERS_FILE":"NMR_Methods.docx"},

"NM":{"INSTRUMENT_TYPE":"Bruker Avance III","NMR_EXPERIMENT_TYPE":"1D 1H","STANDARD_CONCENTRATION":"10 mM","SPECTROMETER_FREQUENCY":"500 MHz","NMR_PROBE":"5mm FBBO-Z Probe","NMR_SOLVENT":"D2O","NMR_TUBE_SIZE":"5mm","PULSE_SEQUENCE":"zg","PULSE_WIDTH":"4","RECEIVER_GAIN":"152","CHEMICAL_SHIFT_REF_CPD":"TSP","TEMPERATURE":"27","NUMBER_OF_SCANS":"16","ACQUISITION_TIME":"4 s","RELAXATION_DELAY":"3 s","SPECTRAL_WIDTH":"5498.5","NUM_DATA_POINTS_ACQUIRED":"65536","REAL_DATA_POINTS":"16384","LINE_BROADENING":"0.33 Hz","ZERO_FILLING":"Yes","APODIZATION":"Exponential","BASELINE_CORRECTION_METHOD":"Whittaker Smoother","CHEMICAL_SHIFT_REF_STD":"TSP","INSTRUMENT_NAME":"Bruker Avance III"},

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

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

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

}