{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000176","ANALYSIS_ID":"AN000270","VERSION":"1","CREATED_ON":"01-15-2019"},

"PROJECT":{"PROJECT_TITLE":"trcp","PROJECT_SUMMARY":"metabolic phenotypes of a clock mutant mouse","INSTITUTE":"Florida State University","DEPARTMENT":"Biomedical Sciences","LABORATORY":"Lee Lab","LAST_NAME":"Lee","FIRST_NAME":"Choogon","ADDRESS":"Tallahassee, FL","EMAIL":"choogon.lee@med.fsu.edu","PHONE":"850-645-1478","DOI":"http://dx.doi.org/10.21228/M8V011"},

"STUDY":{"STUDY_TITLE":"cell and liver metabolomics","STUDY_SUMMARY":"(Pending) Liver samples were harvested from wt and ko mice. Quadruplicates and triplicates are sent for cells and liver, respectively.","INSTITUTE":"University of Michigan","DEPARTMENT":"Biomedical Research Core Facilities","LABORATORY":"Metabolomics core","LAST_NAME":"Kachman","FIRST_NAME":"Maureen","ADDRESS":"6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714","EMAIL":"mkachman@umich.edu","PHONE":"-"},

"SUBJECT":{"SUBJECT_TYPE":"Animal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090","SPECIES_GROUP":"Mammal"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"SU0004026",
"Sample ID":"S00014600",
"Factors":{"genotype":"background","Type":"liver"}
},
{
"Subject ID":"SU0004027",
"Sample ID":"S00014601",
"Factors":{"genotype":"background","Type":"liver"}
},
{
"Subject ID":"SU0004028",
"Sample ID":"S00014602",
"Factors":{"genotype":"background","Type":"liver"}
},
{
"Subject ID":"SU0004032",
"Sample ID":"S00014606",
"Factors":{"genotype":"background","Type":"MFE Cells"}
},
{
"Subject ID":"SU0004033",
"Sample ID":"S00014607",
"Factors":{"genotype":"background","Type":"MFE Cells"}
},
{
"Subject ID":"SU0004034",
"Sample ID":"S00014608",
"Factors":{"genotype":"background","Type":"MFE Cells"}
},
{
"Subject ID":"SU0004035",
"Sample ID":"S00014609",
"Factors":{"genotype":"background","Type":"MFE Cells"}
},
{
"Subject ID":"SU0004029",
"Sample ID":"S00014603",
"Factors":{"genotype":"knock-out","Type":"liver"}
},
{
"Subject ID":"SU0004030",
"Sample ID":"S00014604",
"Factors":{"genotype":"knock-out","Type":"liver"}
},
{
"Subject ID":"SU0004031",
"Sample ID":"S00014605",
"Factors":{"genotype":"knock-out","Type":"liver"}
},
{
"Subject ID":"SU0004036",
"Sample ID":"S00014610",
"Factors":{"genotype":"knock-out","Type":"MFE Cells"}
},
{
"Subject ID":"SU0004037",
"Sample ID":"S00014611",
"Factors":{"genotype":"knock-out","Type":"MFE Cells"}
},
{
"Subject ID":"SU0004038",
"Sample ID":"S00014612",
"Factors":{"genotype":"knock-out","Type":"MFE Cells"}
},
{
"Subject ID":"SU0004039",
"Sample ID":"S00014613",
"Factors":{"genotype":"knock-out","Type":"MFE Cells"}
}
],
"COLLECTION":{"SAMPLE_TYPE":"Cells","COLLECTION_SUMMARY":"-"},

"TREATMENT":{"TREATMENT_SUMMARY":"-"},

"SAMPLEPREP":{"SAMPLEPREP_PROTOCOL_FILENAME":"Gly-TCA-nucleotides_analysis_protocol-2015-03-09.docx","SAMPLEPREP_SUMMARY":"-"},

"CHROMATOGRAPHY":{"METHODS_ID":"AQM020","METHODS_FILENAME":"QTOF-002-HILIC-35min-1mm-No_Insert.m.zip","INSTRUMENT_NAME":"Agilent 1260","COLUMN_NAME":"Phenomenex Luna NH2 (150 x 1mm, 3um)","CHROMATOGRAPHY_TYPE":"HILIC"},

"ANALYSIS":{"LABORATORY_NAME":"MRC2 (University of Michigan)","ANALYSIS_TYPE":"MS","ACQUISITION_PARAMETERS_FILE":"QTOF-002-HILIC-35min-1mm-No_Insert.m.zip","PROCESSING_PARAMETERS_FILE":"EX00296-MassHunterQuant-GlyTCA-DataAnalysis-Method.m.zip"},

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Agilent 6530 QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE"},

"MS_METABOLITE_DATA":{
"Units":"pmol/mg protein",

"Data":[{"Metabolite":"2 or 3-phosphoglycerate","S00014600":"","S00014601":"","S00014602":"2.7026","S00014606":"","S00014607":"0.6546","S00014608":"","S00014609":"","S00014603":"","S00014604":"8.4486","S00014605":"","S00014610":"","S00014611":"0.3448","S00014612":"","S00014613":"0.3026"},{"Metabolite":"6-phosphogluconate","S00014600":"9.9619","S00014601":"","S00014602":"","S00014606":"0.7291","S00014607":"","S00014608":"0.3099","S00014609":"0.8556","S00014603":"14.4604","S00014604":"","S00014605":"","S00014610":"","S00014611":"","S00014612":"","S00014613":""},{"Metabolite":"acetyl-coa","S00014600":"2.2952","S00014601":"1.1871","S00014602":"","S00014606":"0.0166","S00014607":"0.0234","S00014608":"0.0137","S00014609":"0.0172","S00014603":"0.5009","S00014604":"","S00014605":"0.7051","S00014610":"","S00014611":"","S00014612":"","S00014613":"0.0143"},{"Metabolite":"adenosine diphosphate","S00014600":"","S00014601":"","S00014602":"48.1097","S00014606":"","S00014607":"5.6402","S00014608":"","S00014609":"","S00014603":"","S00014604":"31.6910","S00014605":"","S00014610":"","S00014611":"3.7206","S00014612":"","S00014613":"3.1347"},{"Metabolite":"adenosine monophosphate","S00014600":"15335.9372","S00014601":"16088.4845","S00014602":"","S00014606":"98.3611","S00014607":"","S00014608":"63.6334","S00014609":"65.0032","S00014603":"1682.3848","S00014604":"","S00014605":"1665.7820","S00014610":"","S00014611":"","S00014612":"","S00014613":""},{"Metabolite":"adenosine triphosphate","S00014600":"","S00014601":"","S00014602":"","S00014606":"","S00014607":"7.9436","S00014608":"","S00014609":"","S00014603":"","S00014604":"8.4641","S00014605":"","S00014610":"4.6461","S00014611":"5.1516","S00014612":"5.4112","S00014613":"4.0068"},{"Metabolite":"citrate or isocitrate","S00014600":"","S00014601":"","S00014602":"391.7658","S00014606":"","S00014607":"7.5351","S00014608":"","S00014609":"","S00014603":"","S00014604":"289.5899","S00014605":"","S00014610":"","S00014611":"13.7934","S00014612":"","S00014613":"13.0762"},{"Metabolite":"flavin adenine dinucleotide","S00014600":"76.7413","S00014601":"","S00014602":"","S00014606":"0.0751","S00014607":"0.0496","S00014608":"0.0520","S00014609":"0.0573","S00014603":"60.8838","S00014604":"44.6274","S00014605":"","S00014610":"","S00014611":"0.0405","S00014612":"","S00014613":"0.0461"},{"Metabolite":"fructose 1_6-bisphosphate","S00014600":"","S00014601":"","S00014602":"9.5887","S00014606":"","S00014607":"32.1044","S00014608":"","S00014609":"","S00014603":"","S00014604":"5.9714","S00014605":"","S00014610":"12.3090","S00014611":"12.5809","S00014612":"10.2809","S00014613":"9.2757"},{"Metabolite":"glucose 6-phosphate or fructose-6-phosphate","S00014600":"","S00014601":"","S00014602":"223.0251","S00014606":"","S00014607":"21.5649","S00014608":"","S00014609":"","S00014603":"","S00014604":"279.6316","S00014605":"","S00014610":"19.2890","S00014611":"19.9573","S00014612":"19.1622","S00014613":"18.0711"},{"Metabolite":"malate","S00014600":"1140.6890","S00014601":"","S00014602":"","S00014606":"1119.7997","S00014607":"878.3906","S00014608":"","S00014609":"","S00014603":"","S00014604":"","S00014605":"","S00014610":"","S00014611":"","S00014612":"","S00014613":""},{"Metabolite":"nicotinamide adenine dinucleotide oxidized","S00014600":"23.0387","S00014601":"","S00014602":"","S00014606":"16.8331","S00014607":"19.1031","S00014608":"","S00014609":"","S00014603":"","S00014604":"","S00014605":"","S00014610":"","S00014611":"","S00014612":"","S00014613":""},{"Metabolite":"nicotinamide adenine dinucleotide phosphate oxidized","S00014600":"3.4386","S00014601":"","S00014602":"","S00014606":"2.9527","S00014607":"4.2237","S00014608":"","S00014609":"","S00014603":"","S00014604":"","S00014605":"","S00014610":"","S00014611":"","S00014612":"","S00014613":""},{"Metabolite":"nicotinamide adenine dinucleotide phosphate reduced","S00014600":"2.0339","S00014601":"","S00014602":"","S00014606":"0.7407","S00014607":"7.5003","S00014608":"","S00014609":"","S00014603":"","S00014604":"","S00014605":"","S00014610":"","S00014611":"","S00014612":"","S00014613":""},{"Metabolite":"nicotinamide adenine dinucleotide reduced","S00014600":"16.7157","S00014601":"","S00014602":"","S00014606":"16.1374","S00014607":"21.2892","S00014608":"","S00014609":"","S00014603":"","S00014604":"","S00014605":"","S00014610":"","S00014611":"","S00014612":"","S00014613":""},{"Metabolite":"phosphoenolpyruvate","S00014600":"","S00014601":"","S00014602":"","S00014606":"1.9719","S00014607":"2.5286","S00014608":"","S00014609":"","S00014603":"","S00014604":"","S00014605":"","S00014610":"","S00014611":"","S00014612":"","S00014613":""},{"Metabolite":"sucrose","S00014600":"1529.9088","S00014601":"","S00014602":"","S00014606":"222.2145","S00014607":"281.0897","S00014608":"","S00014609":"","S00014603":"","S00014604":"","S00014605":"","S00014610":"","S00014611":"","S00014612":"","S00014613":""}],

"Metabolites":[{"Metabolite":"2 or 3-phosphoglycerate","pubchem_id":"724","inchi_key":"","kegg_id":"C00597","other_id":"2PG/3PG","other_id_type":"UFLORIDA_Lee_Lab","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"6-phosphogluconate","pubchem_id":"91493","inchi_key":"","kegg_id":"C00345","other_id":"6PG","other_id_type":"UFLORIDA_Lee_Lab","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"acetyl-coa","pubchem_id":"444493","inchi_key":"","kegg_id":"C00024","other_id":"aCoA","other_id_type":"UFLORIDA_Lee_Lab","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"adenosine diphosphate","pubchem_id":"6022","inchi_key":"","kegg_id":"C00008","other_id":"ADP","other_id_type":"UFLORIDA_Lee_Lab","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"adenosine monophosphate","pubchem_id":"6083","inchi_key":"","kegg_id":"C00020","other_id":"AMP","other_id_type":"UFLORIDA_Lee_Lab","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"adenosine triphosphate","pubchem_id":"5957","inchi_key":"","kegg_id":"C00002","other_id":"ATP","other_id_type":"UFLORIDA_Lee_Lab","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"citrate or isocitrate","pubchem_id":"311","inchi_key":"","kegg_id":"C00158","other_id":"CIT/ICIT","other_id_type":"UFLORIDA_Lee_Lab","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"flavin adenine dinucleotide","pubchem_id":"643975","inchi_key":"","kegg_id":"C00016","other_id":"FAD","other_id_type":"UFLORIDA_Lee_Lab","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"fructose 1,6-bisphosphate","pubchem_id":"172313","inchi_key":"","kegg_id":"C00354","other_id":"FBP","other_id_type":"UFLORIDA_Lee_Lab","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"glucose 6-phosphate or fructose-6-phosphate","pubchem_id":"5958","inchi_key":"","kegg_id":"C00092","other_id":"G6P/F6P","other_id_type":"UFLORIDA_Lee_Lab","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"malate","pubchem_id":"222656","inchi_key":"","kegg_id":"C00149","other_id":"MAL","other_id_type":"UFLORIDA_Lee_Lab","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"nicotinamide adenine dinucleotide oxidized","pubchem_id":"10897651","inchi_key":"","kegg_id":"C00003","other_id":"NAD","other_id_type":"UFLORIDA_Lee_Lab","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"nicotinamide adenine dinucleotide phosphate oxidized","pubchem_id":"5886","inchi_key":"","kegg_id":"C00006","other_id":"NADP","other_id_type":"UFLORIDA_Lee_Lab","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"nicotinamide adenine dinucleotide phosphate reduced","pubchem_id":"5886","inchi_key":"","kegg_id":"C00006","other_id":"NADPH","other_id_type":"UFLORIDA_Lee_Lab","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"nicotinamide adenine dinucleotide reduced","pubchem_id":"439153","inchi_key":"","kegg_id":"C00004","other_id":"NADH","other_id_type":"UFLORIDA_Lee_Lab","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"phosphoenolpyruvate","pubchem_id":"1005","inchi_key":"","kegg_id":"C00074","other_id":"PEP","other_id_type":"UFLORIDA_Lee_Lab","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"sucrose","pubchem_id":"5988","inchi_key":"","kegg_id":"C00089","other_id":"SUC","other_id_type":"UFLORIDA_Lee_Lab","ri":"","ri_type":"","moverz_quant":"","":""}]
}

}