{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000103","ANALYSIS_ID":"AN000171","VERSION":"1","CREATED_ON":"10-02-2015"},

"PROJECT":{"PROJECT_TITLE":"13C Metabolomics using INADEQUATE","PROJECT_SUMMARY":"Demonstrate a method using high-sensitivity NMR to identify an unknown metabolite from a fraction isolated from an IROA LC-MS experiment.","INSTITUTE":"University of Florida","DEPARTMENT":"Department of Biochemistry and Molecular Biology / SECIM","LABORATORY":"Edison","LAST_NAME":"Edison","FIRST_NAME":"Arthur","EMAIL":"aedison@ufl.edu","PHONE":"352-392-4535","ADDRESS":"-"},

"STUDY":{"STUDY_TITLE":"2D-INADEQUATE NMR study of C. elegans metabolome","STUDY_TYPE":"Heats Shock Worms","STUDY_SUMMARY":"2D INADEQUATE NMR datasets were collected from the endo and exo metabolome of heat shocked and control C. elegans","INSTITUTE":"University of Florida","DEPARTMENT":"Department of Biochemistry and Molecular Biology / SECIM","LABORATORY":"Arthur Edison","LAST_NAME":"Chaevien","FIRST_NAME":"Clendinen","ADDRESS":"R3-226 Academic Research Building, Department of Biochemistry & Molecular Biology, PO Box 100245, Gainesville, FL 32610-0245","EMAIL":"csclendinen@ufl.edu","PHONE":"352-392-4535","NUM_GROUPS":"2","TOTAL_SUBJECTS":"4"},

"SUBJECT":{"SUBJECT_TYPE":"ANIMAL","SUBJECT_SPECIES":"Caenorhabditis elegans","TAXONOMY_ID":"6239","GENOTYPE_STRAIN":"Wild Type (N2)","GENDER":"Hermaphrodites","SPECIES_GROUP":"Invertebrate"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"Ceanorhabditis elegans",
"Sample ID":"Control_1",
"Factors":{"Incubation Temperature":"22 C"}
},
{
"Subject ID":"Ceanorhabditis elegans",
"Sample ID":"Control_2",
"Factors":{"Incubation Temperature":"22 C"}
},
{
"Subject ID":"Ceanorhabditis elegans",
"Sample ID":"Control_3",
"Factors":{"Incubation Temperature":"22 C"}
},
{
"Subject ID":"Ceanorhabditis elegans",
"Sample ID":"Control_4",
"Factors":{"Incubation Temperature":"22 C"}
},
{
"Subject ID":"Ceanorhabditis elegans",
"Sample ID":"HS_1",
"Factors":{"Incubation Temperature":"33 C"}
},
{
"Subject ID":"Ceanorhabditis elegans",
"Sample ID":"HS_2",
"Factors":{"Incubation Temperature":"33 C"}
},
{
"Subject ID":"Ceanorhabditis elegans",
"Sample ID":"HS_3",
"Factors":{"Incubation Temperature":"33 C"}
},
{
"Subject ID":"Ceanorhabditis elegans",
"Sample ID":"HS_4",
"Factors":{"Incubation Temperature":"33 C"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Supernatant (exometabolome) and worm pellet (endometabolome) were collected from each flask via centrifugation. The supernatant was filtered using a 20 ?m nylon syringe filter and lyophilized. The worm pellets were homogenized using a Biospec Mini-Beadbeater 8 in 80% methanol and dried.","SAMPLE_TYPE":"Whole worm extract","COLLECTION_LOCATION":"University of Florida","STORAGE_CONDITIONS":"-80 celsius"},

"TREATMENT":{"TREATMENT_SUMMARY":"Two generations of wild-type C. elegans (N2) were fed 99% labeled e. coli. Upon reaching the young adult stage, 4 replicates of 1 million worms each were designated as the experimental population and were treated to a 30 minute heat shock by incubating at 33 °C in the absence of food. After 30 minutes of heat shock, the experimental populations were incubated at room temperature (22 °C) for an additional 1.5 hours. In addition 4 additional replicates of 1 million worms each were designated as the control population and was incubated at room temperature (22 °C) 2 hours in the absence of food."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Exometabolome samples were resuspended in 50 ul of Dueterium Oxide (D2O) and the Endometabolome were resuspended in 50 ul of Deuterated Methanol (MeOD).","PROCESSING_METHOD":"Lyophilization","EXTRACT_STORAGE":"-80 celsius","SAMPLE_RESUSPENSION":"50 microliters of D2O or MeOD"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"-","INSTRUMENT_NAME":"-","COLUMN_NAME":"-"},

"ANALYSIS":{"LABORATORY_NAME":"Arthur Edison","ANALYSIS_TYPE":"NMR","SOFTWARE_VERSION":"VNMRJ","OPERATOR_NAME":"Chaevien Clendinen"},

"NM":{"INSTRUMENT_TYPE":"Varian","NMR_EXPERIMENT_TYPE":"2D-INADEQUATE","SPECTROMETER_FREQUENCY":"600 MHz","NMR_PROBE":"1.5 mm HTS probe","NMR_SOLVENT":"D2O and MeOD","NMR_TUBE_SIZE":"1.5 mm","PULSE_SEQUENCE":"INADEQUATEAD","PULSE_WIDTH":"15.6","POWER_LEVEL":"37","RECEIVER_GAIN":"60","TEMPERATURE":"23","NUMBER_OF_SCANS":"4","DUMMY_SCANS":"32","ACQUISITION_TIME":"0.067","RELAXATION_DELAY":"3 sec","SPECTRAL_WIDTH":"30487.8 Hz","NUM_DATA_POINTS_ACQUIRED":"4096","REAL_DATA_POINTS":"2048","ZERO_FILLING":"2x","APODIZATION":"Lorentz-to-Gaussian","BASELINE_CORRECTION_METHOD":"POLY","INSTRUMENT_NAME":"Agilent VNMRS-600"},

"Data":[{"Bin range(ppm)":"NMR_BINNED_DATA_END","Control_1":"","Control_2":"","Control_3":"","Control_4":"","HS_1":"","HS_2":"","HS_3":"","HS_4":""},{"Bin range(ppm)":"#END","Control_1":"","Control_2":"","Control_3":"","Control_4":"","HS_1":"","HS_2":"","HS_3":"","HS_4":""}]

}