{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000148","ANALYSIS_ID":"AN000235","VERSION":"1","CREATED_ON":"2016-09-17"},

"PROJECT":{"PROJECT_TITLE":"Evaluation of QDA chemoselection","PROJECT_SUMMARY":"Demonstrate the effectiveness of QDA/13CD3-QDA chemoselection experimental on stable isotope tracer based metabolomic investigation of cell metabolism","INSTITUTE":"University of Kentucky","DEPARTMENT":"CESB","LAST_NAME":"Fan","FIRST_NAME":"Teresa","ADDRESS":"Rm 516 Biopharm Complex, 789 S. Limestone St.,Univ. of Kentucky, Lexington, KY","EMAIL":"twmfan@gmail.com","PHONE":"-"},

"STUDY":{"STUDY_TITLE":"A549 13C-labeled Cell Study","STUDY_TYPE":"tracer","STUDY_SUMMARY":"[U-13C]-Glu SIRM study of A549 cells with QDA treatment","INSTITUTE":"University of Kentucky","DEPARTMENT":"CESB","LAST_NAME":"Fan","FIRST_NAME":"Teresa","ADDRESS":"Rm 516 Biopharm Complex, 789 S. Limestone St.,Univ. of Kentucky, Lexington, KY","EMAIL":"twmfan@gmail.com","PHONE":"-"},

"SUBJECT":{"SUBJECT_TYPE":"cell culture","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","GENOTYPE_STRAIN":"A549"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"A549_Ctl_1_13C6Glc_plate",
"Factors":{"Treatment":"13C-Glc"}
},
{
"Subject ID":"-",
"Sample ID":"A549_Ctl_2_13C6Glc_plate",
"Factors":{"Treatment":"13C-Glc"}
},
{
"Subject ID":"-",
"Sample ID":"A549_Ctl_3_13C6Glc_plate",
"Factors":{"Treatment":"13C-Glc"}
},
{
"Subject ID":"-",
"Sample ID":"A549_Ctl_1_unL_plate",
"Factors":{"Treatment":"unlabeled"}
},
{
"Subject ID":"-",
"Sample ID":"A549_Ctl_2_unL_plate",
"Factors":{"Treatment":"unlabeled"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"-","COLLECTION_PROTOCOL_FILENAME":"WS_Fan_Quench_Cell_Tissue.pdf","COLLECTION_PROTOCOL_COMMENTS":"Collection and quench of cells in tissue culture"},

"TREATMENT":{"TREATMENT_SUMMARY":"unlabeled | 13C-Glc","TREATMENT_PROTOCOL_FILENAME":"WS_Fan_Cell_Tracer_Ex.pdf","TREATMENT_PROTOCOL_COMMENTS":"cell culture in unlabeled media for 24h with QDA derivatives | cell culture in media for 24h with QDA derivatives"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"polar extraction | protein extraction | lipid extraction","SAMPLEPREP_PROTOCOL_FILENAME":"WS_Fan_Extract_Polar_Lipid_Prot.pdf_|_WS_Fan_Prot_Quant.pdf_|_WS_Fan_Extract_Polar_Lipid_Prot.pdf","SAMPLEPREP_PROTOCOL_COMMENTS":"Polar extraction from cells | Protein extraction and quantification | Lipid from cells"},

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

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"RCSIRM"},

"MS":{"INSTRUMENT_NAME":"Bruker SolariX FT-ICR-MS","INSTRUMENT_TYPE":"FT-ICR-MS","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"FTMS Analytical Experiment with detection of compounds with unique CHONPS formulas."},

"MS_METABOLITE_DATA":{
"Units":"normalized corrected Peak area",

"Data":[{"Metabolite":"11beta_17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one-13C0[+QDA adduct+Na]+","A549_Ctl_1_13C6Glc_plate":"","A549_Ctl_2_13C6Glc_plate":"","A549_Ctl_3_13C6Glc_plate":"3689403.1090","A549_Ctl_1_unL_plate":"","A549_Ctl_2_unL_plate":""},{"Metabolite":"11beta_17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one-13C1[+QDA adduct+Na]+","A549_Ctl_1_13C6Glc_plate":"","A549_Ctl_2_13C6Glc_plate":"","A549_Ctl_3_13C6Glc_plate":"4512770.5700","A549_Ctl_1_unL_plate":"","A549_Ctl_2_unL_plate":""},{"Metabolite":"11beta_17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one-13C8[+QDA 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H4]+","moverz_quant":"812.680342","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C26[+NH4]+","moverz_quant":"813.684232","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C27[+H]+","moverz_quant":"797.661232","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C27[+NH4]+","moverz_quant":"814.687572","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C28[+H]+","moverz_quant":"798.664672","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C28[+NH4]+","moverz_quant":"815.691322","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C29[+NH4]+","moverz_quant":"816.694162","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C2[+H]+","moverz_quant":"772.576082","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C2[+NH4]+","moverz_quant":"789.601612","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C30[+NH4]+","moverz_quant":"817.697802","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C31[+NH4]+","moverz_quant":"818.701102","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C32[+NH4]+","moverz_quant":"819.704412","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C33[+NH4]+","moverz_quant":"820.707742","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C34[+NH4]+","moverz_quant":"821.711142","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C35[+H]+","moverz_quant":"805.688182","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C35[+NH4]+","moverz_quant":"822.714682","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C36[+NH4]+","moverz_quant":"823.717822","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C37[+NH4]+","moverz_quant":"824.721062","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C38[+NH4]+","moverz_quant":"825.724562","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C39[+NH4]+","moverz_quant":"826.727862","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C3[+H]+","moverz_quant":"773.579322","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C3[+NH4]+","moverz_quant":"790.605092","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C40[+H]+","moverz_quant":"810.704092","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C40[+NH4]+","moverz_quant":"827.731202","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C4[+H]+","moverz_quant":"774.582512","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C4[+NH4]+","moverz_quant":"791.608452","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C5[+H]+","moverz_quant":"775.586222","ri":"","ri_type":"","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"U_Kentucky_isotope"},{"Metabolite":"PE(38:3)-13C5[+NH4]+","moverz_quant":"792.612132","ri":"","ri_type":"","pubchem_id":"","inchi_key":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}