{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000098","ANALYSIS_ID":"AN000161","VERSION":"1","CREATED_ON":"10-02-2015"},

"PROJECT":{"PROJECT_TITLE":"13C Metabolomics: NMR and IROA for Unknown Identification","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":"Heatshock response of C. elegans using IROA (II)","INSTITUTE":"University of Florida","DEPARTMENT":"Department of Biochemistry and Molecular Biology / SECIM","LABORATORY":"Arthur 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","NUM_GROUPS":"1","TOTAL_SUBJECTS":"1","STUDY_SUMMARY":"-"},

"SUBJECT":{"SUBJECT_TYPE":"Animal","SUBJECT_SPECIES":"Caenorhabditis elegans","GENOTYPE_STRAIN":"N2","SPECIES_GROUP":"Invertebrate"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"HSP",
"Sample ID":"HSP_F9_ms2_neg.raw",
"Factors":{"Fractionation":"fraction 4-4.5 min"}
},
{
"Subject ID":"HSP",
"Sample ID":"HSP_F9_pos.raw",
"Factors":{"Fractionation":"fraction 4-4.5 min"}
},
{
"Subject ID":"HSP",
"Sample ID":"HSP_F10_ms2_neg.raw",
"Factors":{"Fractionation":"fraction 4.5-5 min"}
},
{
"Subject ID":"HSP",
"Sample ID":"HSP_F10_pos.raw",
"Factors":{"Fractionation":"fraction 4.5-5 min"}
},
{
"Subject ID":"HSP",
"Sample ID":"HSP_ms2_pos.raw",
"Factors":{"Fractionation":"Unfractionated"}
},
{
"Subject ID":"HSP",
"Sample ID":"HSP_pos.raw",
"Factors":{"Fractionation":"Unfractionated"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Samples were already collected.","COLLECTION_PROTOCOL_FILENAME":"NMR_Methods.docx;LCMSMethod.docx"},

"TREATMENT":{"TREATMENT_SUMMARY":"No further treatment"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Samples were mixed together and resuspended in 120 ?L of water.","SAMPLEPREP_PROTOCOL_FILENAME":"NMR_Methods.docx;LCMSMethod.docx"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"-","INSTRUMENT_NAME":"Thermo Dionex Ultimate 3000","COLUMN_NAME":"-"},

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

"NM":{"INSTRUMENT_TYPE":"Agilent VNMRS","NMR_EXPERIMENT_TYPE":"2D 1H-13C HSQC-TOCSY","SPECTROMETER_FREQUENCY":"600 MHz","NMR_PROBE":"custome 1.5 mm HTS probe","NMR_SOLVENT":"D2O","NMR_TUBE_SIZE":"1.5 mm","PULSE_WIDTH":"90d","POWER_LEVEL":"37","OFFSET_FREQUENCY":"4.77","TEMPERATURE":"23d","NUMBER_OF_SCANS":"96","DUMMY_SCANS":"16","ACQUISITION_TIME":"0.14","RELAXATION_DELAY":"1.5 sec","SPECTRAL_WIDTH":"13 ppm ; 205.5 ppm/14 ppm ; 205.5 ppm","NUM_DATA_POINTS_ACQUIRED":"2048","REAL_DATA_POINTS":"1024","LINE_BROADENING":"2","ZERO_FILLING":"2x","APODIZATION":"EM","BASELINE_CORRECTION_METHOD":"POLY","INSTRUMENT_NAME":"Agilent VNMRS-601/Agilent VNMRS-602"}

}