{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000835","ANALYSIS_ID":"AN001337","VERSION":"1","CREATED_ON":"August 9, 2017, 9:44 am"},

"PROJECT":{"PROJECT_TITLE":"Influence of murine norovirus on cell metabolism","PROJECT_TYPE":"MS analysis","PROJECT_SUMMARY":"C6_effects_in_RAW","INSTITUTE":"University of Michigan","DEPARTMENT":"Microbiology & Immunology","LABORATORY":"Passalacqua Lab","LAST_NAME":"Passalacqua","FIRST_NAME":"Karla","ADDRESS":"Ann Arbor, MI","EMAIL":"kpassal@umich.edu","PHONE":"734-763-5639"},

"STUDY":{"STUDY_TITLE":"Deubiquitinase inhibitor compound C6 effect on cellular metabolism","STUDY_TYPE":"MS analysis","STUDY_SUMMARY":"6.0 X 10^6 cells were plated in 10 cm Tissue Culture dishes and allowed to recover overnight at 37 degrees and 5% CO2. In the am, supernatant was removed, and 12 mL of fresh medium with either 2.5 micromolar Compound C6 or a v/v match of DMSO (vehicle control) was added to the cells. Cells were incubated at 37 degrees in 5% CO2 for 30 minutes. Cells were washed 3X with cold DPBS++ and 10 mL of medium was added to the cells with either 1.0 micromolar Compound C6 or v/v match of DMSO. Cells were incubated at 37 degrees and 5% CO2 for 7.0 hours. Cells were washed with 10 mL of 150 mM Ammonium Acetate, swirled, washed again with 5 mL, and immediately quenched with liquid nitrogen. Cells were then frozen at -80 degrees.","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@med.umich.edu","PHONE":"(734) 232-8175","NUM_GROUPS":"7","TOTAL_SUBJECTS":"1","STUDY_COMMENTS":"I request that the metabolites of the TCA+ assay that are to be assessed quantitatively please be sure to include ATP, ADP, AMP, NAD, NADH, NADP, NADPH, E4P, S7P, 6PG, G3P, H6P, and Lactate in particular. Also, I would request that both reduced and oxidized Glutathione as well as Fructose 1,6-bisphosphate be included in the non-quantitative data."},

"SUBJECT":{"SUBJECT_TYPE":"MOUSE","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"SU0016447",
"Sample ID":"S00026310",
"Factors":{"Sample type":"Cell Line","Treatment":"Vehicle","Type":"RAW"}
},
{
"Subject ID":"SU0016447",
"Sample ID":"S00026311",
"Factors":{"Sample type":"Cell Line","Treatment":"Vehicle","Type":"RAW"}
},
{
"Subject ID":"SU0016447",
"Sample ID":"S00026312",
"Factors":{"Sample type":"Cell Line","Treatment":"Vehicle","Type":"RAW"}
},
{
"Subject ID":"SU0016447",
"Sample ID":"S00026313",
"Factors":{"Sample type":"Cell Line","Treatment":"Vehicle","Type":"RAW"}
},
{
"Subject ID":"SU0016447",
"Sample ID":"S00026314",
"Factors":{"Sample type":"Cell Line","Treatment":"Vehicle","Type":"RAW"}
},
{
"Subject ID":"SU0016447",
"Sample ID":"S00026315",
"Factors":{"Sample type":"Cell Line","Treatment":"DUB inhibitor","Type":"RAW"}
},
{
"Subject ID":"SU0016447",
"Sample ID":"S00026316",
"Factors":{"Sample type":"Cell Line","Treatment":"DUB inhibitor","Type":"RAW"}
},
{
"Subject ID":"SU0016447",
"Sample ID":"S00026317",
"Factors":{"Sample type":"Cell Line","Treatment":"DUB inhibitor","Type":"RAW"}
},
{
"Subject ID":"SU0016447",
"Sample ID":"S00026318",
"Factors":{"Sample type":"Cell Line","Treatment":"DUB inhibitor","Type":"RAW"}
},
{
"Subject ID":"SU0016447",
"Sample ID":"S00026319",
"Factors":{"Sample type":"Cell Line","Treatment":"DUB inhibitor","Type":"RAW"}
},
{
"Subject ID":"SU0016447",
"Sample ID":"S00026320",
"Factors":{"Sample type":"Macrophages","Treatment":"Control-Other_Cells","Type":"Primary BL6 BMM"}
},
{
"Subject ID":"SU0016447",
"Sample ID":"S00026321",
"Factors":{"Sample type":"Macrophages","Treatment":"Control-Other_Cells","Type":"Primary BL6 BMM"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"-"},

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

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"-","SAMPLEPREP_PROTOCOL_FILENAME":"A043-TCA-Plus-20170713.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Agilent","COLUMN_NAME":"Phenomenex Luna NH2 (150 x 1mm, 3um)"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","ANALYSIS_PROTOCOL_FILE":"A043-TCA-Plus-20170713.pdf"},

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Agilent 6520B QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE"},

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

"Data":[{"Metabolite":"D-ERYTHROSE 4-PHOSPHATE","S00026310":"65.77136345","S00026311":"72.69431591","S00026312":"70.07112106","S00026313":"89.5901296","S00026314":"103.9879774","S00026315":"52.15642498","S00026316":"56.73698563","S00026317":"30.9851976","S00026318":"55.0910399","S00026319":"46.43563075","S00026320":"8.178732848","S00026321":"6.608272271"},{"Metabolite":"BETA-NAD+","S00026310":"1.356641362","S00026311":"22.91536151","S00026312":"19.85965431","S00026313":"25.5208771","S00026314":"26.30553486","S00026315":"12.75756093","S00026316":"15.87727484","S00026317":"12.6108478","S00026318":"21.67774206","S00026319":"20.61688626","S00026320":"","S00026321":""},{"Metabolite":"COENZYME II","S00026310":"10.78670728","S00026311":"11.07632086","S00026312":"9.166335501","S00026313":"13.0659772","S00026314":"13.29684073","S00026315":"6.680043548","S00026316":"7.550718826","S00026317":"6.159200917","S00026318":"9.122171286","S00026319":"8.911876332","S00026320":".311106127","S00026321":".193843661"},{"Metabolite":"SEDOHEPTULOSE 7-PHOSPHATE","S00026310":"4.591960664","S00026311":"8.552768894","S00026312":"5.639966154","S00026313":"6.563507353","S00026314":"7.836592468","S00026315":"4.084002949","S00026316":"3.42722215","S00026317":"1.995207731","S00026318":"2.620634725","S00026319":"2.579196416","S00026320":"","S00026321":""},{"Metabolite":"D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE)","S00026310":"72.87404629","S00026311":"54.44270741","S00026312":"64.53492682","S00026313":"102.8837235","S00026314":"108.460238","S00026315":"36.93846124","S00026316":"58.78375005","S00026317":"47.79778851","S00026318":"73.17184955","S00026319":"72.82126132","S00026320":"71.8880279","S00026321":"53.64516349"},{"Metabolite":"NADP-REDUCED","S00026310":"","S00026311":"2.234612151","S00026312":"","S00026313":".712546854","S00026314":"6.533823982","S00026315":"5.895334876","S00026316":"3.821929955","S00026317":"1.868191367","S00026318":"4.560717405","S00026319":".655653159","S00026320":"","S00026321":""},{"Metabolite":"CITRIC ACID","S00026310":"165.2134181","S00026311":"164.0222421","S00026312":"147.2515328","S00026313":"193.9864067","S00026314":"206.8948533","S00026315":"111.5943225","S00026316":"134.2895385","S00026317":"100.7484648","S00026318":"160.514514","S00026319":"139.6852278","S00026320":"79.05084073","S00026321":"66.19387626"},{"Metabolite":"NADH","S00026310":"1.223411225","S00026311":".440471234","S00026312":".785423721","S00026313":"1.014554841","S00026314":".90983301","S00026315":".888449468","S00026316":"2.202173641","S00026317":".683298071","S00026318":"1.454594791","S00026319":"1.417533364","S00026320":"","S00026321":""},{"Metabolite":"FAD","S00026310":"1.437238823","S00026311":"2.237986654","S00026312":"1.716376708","S00026313":"2.178365312","S00026314":"2.672149923","S00026315":"1.198824771","S00026316":"1.716458314","S00026317":"1.475086202","S00026318":"1.920766018","S00026319":"2.186202861","S00026320":".739782721","S00026321":".581640321"},{"Metabolite":"MALIC ACID","S00026310":"138.5110725","S00026311":"184.6284558","S00026312":"167.8444542","S00026313":"173.0992077","S00026314":"169.4483032","S00026315":"77.94214803","S00026316":"97.12196478","S00026317":"84.38557315","S00026318":"122.7309369","S00026319":"101.2412045","S00026320":"24.97101452","S00026321":"19.10548833"},{"Metabolite":"ADENOSINE TRIPHOSPHATE","S00026310":"1239.651807","S00026311":"1329.044892","S00026312":"1065.035636","S00026313":"1784.616466","S00026314":"1794.403556","S00026315":"851.7267116","S00026316":"1079.55322","S00026317":"766.1723153","S00026318":"1145.779994","S00026319":"1036.211262","S00026320":"108.2144886","S00026321":"52.87510131"},{"Metabolite":"ROBISON ESTER","S00026310":"85.63828814","S00026311":"114.3333961","S00026312":"97.2512773","S00026313":"115.6366819","S00026314":"124.4895896","S00026315":"62.01365427","S00026316":"76.17659632","S00026317":"77.71051876","S00026318":"75.61192514","S00026319":"75.4169011","S00026320":"37.06496998","S00026321":"35.95107359"},{"Metabolite":"SUCROSE","S00026310":"100.4114044","S00026311":"143.2393674","S00026312":"63.17648665","S00026313":"140.653108","S00026314":"150.3616616","S00026315":"56.79888988","S00026316":"62.50403065","S00026317":"37.24275387","S00026318":"64.70781119","S00026319":"67.68691234","S00026320":"","S00026321":""},{"Metabolite":"ADENOSINE 5'-DIPHOSPHATE","S00026310":"181.5707243","S00026311":"219.8191795","S00026312":"186.6283137","S00026313":"194.5044221","S00026314":"184.191426","S00026315":"91.8924289","S00026316":"121.0621435","S00026317":"107.5505923","S00026318":"132.922589","S00026319":"122.583518","S00026320":"20.94736605","S00026321":"15.16934311"},{"Metabolite":"ADENOSINE 5'-MONOPHOSPHATE","S00026310":"24.24367595","S00026311":"39.99843917","S00026312":"31.84620665","S00026313":"38.57590392","S00026314":"32.49502447","S00026315":"20.45299571","S00026316":"25.0656325","S00026317":"30.48013025","S00026318":"28.20792907","S00026319":"29.64824095","S00026320":"84.12109774","S00026321":"64.23700623"},{"Metabolite":"GLYCERATE 3-PHOSPHATE","S00026310":"","S00026311":"74.0289812","S00026312":"49.04141452","S00026313":"34.26735862","S00026314":"139.3849976","S00026315":"14.40305969","S00026316":"15.81468184","S00026317":"32.52951627","S00026318":"","S00026319":"52.81925934","S00026320":"65.14285554","S00026321":"25.93475004"},{"Metabolite":"RIBOSE PHOSPHATE","S00026310":"10.69013611","S00026311":"17.2605565","S00026312":"11.12482961","S00026313":"14.79394662","S00026314":"14.56946251","S00026315":"9.614025205","S00026316":"8.356729698","S00026317":"8.451977136","S00026318":"10.279775","S00026319":"9.403634038","S00026320":"","S00026321":""},{"Metabolite":"6-PHOSPHOGLUCONIC ACID","S00026310":"25.24889965","S00026311":"38.2639946","S00026312":"29.16242414","S00026313":"36.46139811","S00026314":"37.12528303","S00026315":"28.33180845","S00026316":"26.16496561","S00026317":"24.86636804","S00026318":"22.5195166","S00026319":"20.68470197","S00026320":"1.598239805","S00026321":".577927735"},{"Metabolite":"ACETOACETYL-COA","S00026310":".36839638","S00026311":".309914197","S00026312":".235305205","S00026313":".347413594","S00026314":".409800166","S00026315":".074058678","S00026316":".162924758","S00026317":".020982436","S00026318":".215905669","S00026319":".257728523","S00026320":".167231242","S00026321":".339919738"}],

"Metabolites":[{"Metabolite":"D-ERYTHROSE 4-PHOSPHATE","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"122357","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BETA-NAD+","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"15938971","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"COENZYME II","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"15938972","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SEDOHEPTULOSE 7-PHOSPHATE","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"165007","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE)","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"21125049","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NADP-REDUCED","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"22833512","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"CITRIC ACID","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"311","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NADH","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"439153","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"FAD","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"46906035","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"MALIC ACID","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"525","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ADENOSINE TRIPHOSPHATE","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"5957","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ROBISON ESTER","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"5958","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"SUCROSE","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"5988","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ADENOSINE 5'-DIPHOSPHATE","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"6022","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ADENOSINE 5'-MONOPHOSPHATE","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"6083","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"GLYCERATE 3-PHOSPHATE","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"724","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"RIBOSE PHOSPHATE","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"77982","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"6-PHOSPHOGLUCONIC ACID","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"91493","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"ACETOACETYL-COA","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"92153","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""}]
}

}