{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000178","ANALYSIS_ID":"AN000274","VERSION":"1","CREATED_ON":"01-15-2019"},

"PROJECT":{"PROJECT_TITLE":"Graft-Versus-Host Disease","PROJECT_SUMMARY":"T cell metabolism during graft-versus-host disease","INSTITUTE":"University of Michigan","DEPARTMENT":"Pediatrics","LABORATORY":"Ferrara lab","LAST_NAME":"Byersdorfer","FIRST_NAME":"Craig","ADDRESS":"Ann Arbor, MI","EMAIL":"craigbye@med.umich.edu","PHONE":"734-000-0000","DOI":"http://dx.doi.org/10.21228/M8B01C"},

"STUDY":{"STUDY_TITLE":"T cell metabolism during graft-versus-host disease (CAB 307)-PART I","STUDY_TYPE":"Glycolysis/TCA/Nucleotide analysis (tissue/cells)","STUDY_SUMMARY":"T cells were injected into mice to model graft-versus-host disease.  On day 7 after bone marrow transplantation (BMT), cells were recovered and CD8 T cells were purified to > 90% purity over magnetic columns.  Naïve T cells were used as control. Cells were then plated at 5x10^6 cells/ml onto plates coated with anti-CD3/CD28 antibodies in the presence of 300µM 13C-palmitate conjugated to BSA (in PBS).  Cells were incubated at 37oC for 60min, after which time they were removed from the plates, counted, and an equal number (2.5x10^6) were placed into a 1.7 ml micro-centrifuge tubes and spun down.  Cells were washed once with ammonium chloride, residual volume was removed by a second brief spin, cell pellets were flash frozen in liquid nitrogen and stored at -80oC until analysis. Several mice lines were used in this study.","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":"SU0004282",
"Sample ID":"S00015097",
"Factors":{"Treatment":"Control"}
},
{
"Subject ID":"SU0004282",
"Sample ID":"S00015098",
"Factors":{"Treatment":"Control"}
},
{
"Subject ID":"SU0004282",
"Sample ID":"S00015099",
"Factors":{"Treatment":"Control"}
},
{
"Subject ID":"SU0004282",
"Sample ID":"S00015100",
"Factors":{"Treatment":"Control"}
},
{
"Subject ID":"SU0004281",
"Sample ID":"S00015094",
"Factors":{"Treatment":"GVHD"}
},
{
"Subject ID":"SU0004281",
"Sample ID":"S00015095",
"Factors":{"Treatment":"GVHD"}
},
{
"Subject ID":"SU0004281",
"Sample ID":"S00015096",
"Factors":{"Treatment":"GVHD"}
}
],
"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.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":"Column1_solv1_jetstream+_grad9.m.zip","PROCESSING_PARAMETERS_FILE":"EX00317-MassHunterQuant-GlyTCA-DataAnalysis-LCMS-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/µg protein",

"Data":[{"Metabolite":"2 or 3-phosphoglycerate_2PG/3PG","S00015097":"1.0582","S00015098":"1.0757","S00015099":"1.0527","S00015100":"0.7890","S00015094":"0.7353","S00015095":"0.6970","S00015096":"0.8304"},{"Metabolite":"6-Phosphogluconate","S00015097":"","S00015098":"","S00015099":"","S00015100":"","S00015094":"","S00015095":"","S00015096":""},{"Metabolite":"Acetyl-CoA","S00015097":"","S00015098":"","S00015099":"","S00015100":"","S00015094":"","S00015095":"","S00015096":""},{"Metabolite":"ADP","S00015097":"0.1271","S00015098":"0.1945","S00015099":"0.1932","S00015100":"0.1138","S00015094":"0.4625","S00015095":"0.4169","S00015096":"0.3616"},{"Metabolite":"AMP","S00015097":"2.5627","S00015098":"4.0507","S00015099":"4.5709","S00015100":"1.4101","S00015094":"8.8678","S00015095":"7.4131","S00015096":"10.9324"},{"Metabolite":"ATP","S00015097":"0.1474","S00015098":"0.2738","S00015099":"0.2234","S00015100":"0.1315","S00015094":"0.3448","S00015095":"0.3543","S00015096":"0.3777"},{"Metabolite":"Citrate or Isocitrate","S00015097":"1.7984","S00015098":"1.9792","S00015099":"0.9156","S00015100":"0.5452","S00015094":"2.3921","S00015095":"1.9396","S00015096":"2.6428"},{"Metabolite":"Erythrose 4-phosphate","S00015097":"1.2877","S00015098":"1.3534","S00015099":"1.4532","S00015100":"0.9039","S00015094":"3.4594","S00015095":"0.6687","S00015096":"0.9078"},{"Metabolite":"flavin adenine dinucleotide","S00015097":"","S00015098":"","S00015099":"","S00015100":"","S00015094":"","S00015095":"","S00015096":""},{"Metabolite":"Fructose 1_6-bisphosphate","S00015097":"0.5827","S00015098":"0.3705","S00015099":"0.2095","S00015100":"0.1099","S00015094":"0.5647","S00015095":"0.6192","S00015096":"0.4534"},{"Metabolite":"Glucose 6-phosphate or fructose-6-phosphate","S00015097":"1.1658","S00015098":"0.7431","S00015099":"0.3889","S00015100":"0.2788","S00015094":"1.0281","S00015095":"0.9648","S00015096":"1.0455"},{"Metabolite":"Malate","S00015097":"1.3507","S00015098":"1.3001","S00015099":"0.9612","S00015100":"0.4763","S00015094":"3.0497","S00015095":"2.4931","S00015096":"3.5177"},{"Metabolite":"Nicotinamide Adenine Dinucleotide oxidized","S00015097":"","S00015098":"","S00015099":"","S00015100":"","S00015094":"","S00015095":"","S00015096":""},{"Metabolite":"nicotinamide adenine dinucleotide phosphate oxidized","S00015097":"","S00015098":"","S00015099":"","S00015100":"","S00015094":"","S00015095":"","S00015096":""},{"Metabolite":"nicotinamide adenine dinucleotide phosphate reduced","S00015097":"","S00015098":"","S00015099":"","S00015100":"","S00015094":"","S00015095":"","S00015096":""},{"Metabolite":"Nicotinamide Adenine Dinucleotide reduced","S00015097":"","S00015098":"","S00015099":"","S00015100":"","S00015094":"","S00015095":"","S00015096":""},{"Metabolite":"Phosphoenolpyruvate","S00015097":"","S00015098":"","S00015099":"","S00015100":"","S00015094":"","S00015095":"","S00015096":""},{"Metabolite":"Ribose-5-phosphate or xylulose 5-phosphate","S00015097":"0.4718","S00015098":"0.5340","S00015099":"0.5615","S00015100":"0.3260","S00015094":"3.8181","S00015095":"3.4323","S00015096":"4.7969"},{"Metabolite":"sedoheptulose","S00015097":"0.1566","S00015098":"0.1613","S00015099":"0.1174","S00015100":"0.1071","S00015094":"0.1060","S00015095":"0.0393","S00015096":"0.0717"},{"Metabolite":"Sedoheptulose 7-phosphate","S00015097":"0.1930","S00015098":"0.1815","S00015099":"0.0810","S00015100":"0.0251","S00015094":"0.4378","S00015095":"0.4773","S00015096":"0.2842"},{"Metabolite":"Sucrose","S00015097":"0.2185","S00015098":"0.3110","S00015099":"0.2436","S00015100":"0.1519","S00015094":"0.2951","S00015095":"0.2647","S00015096":"0.3271"}],

"Metabolites":[{"Metabolite":"2 or 3-phosphoglycerate_2PG/3PG","pubchem_id":"724","inchi_key":"","kegg_id":"C00597","other_id":"2PG/3PG","other_id_type":"UM_Target_ID","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"6-Phosphogluconate","pubchem_id":"91493","inchi_key":"","kegg_id":"C00345","other_id":"6PG","other_id_type":"UM_Target_ID","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"Acetyl-CoA","pubchem_id":"444493","inchi_key":"","kegg_id":"C00024","other_id":"aCoA","other_id_type":"UM_Target_ID","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"ADP","pubchem_id":"6022","inchi_key":"","kegg_id":"C00008","other_id":"ADP","other_id_type":"UM_Target_ID","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"AMP","pubchem_id":"6083","inchi_key":"","kegg_id":"C00020","other_id":"AMP","other_id_type":"UM_Target_ID","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"ATP","pubchem_id":"5957","inchi_key":"","kegg_id":"C00002","other_id":"ATP","other_id_type":"UM_Target_ID","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"Citrate or Isocitrate","pubchem_id":"311","inchi_key":"","kegg_id":"C00158","other_id":"CIT/ICIT","other_id_type":"UM_Target_ID","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"Erythrose 4-phosphate","pubchem_id":"122357","inchi_key":"","kegg_id":"C00279","other_id":"E4P","other_id_type":"UM_Target_ID","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"flavin adenine dinucleotide","pubchem_id":"643975","inchi_key":"","kegg_id":"C00016","other_id":"FAD","other_id_type":"UM_Target_ID","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"Fructose 1,6-bisphosphate","pubchem_id":"172313","inchi_key":"","kegg_id":"C00354","other_id":"FBP","other_id_type":"UM_Target_ID","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":"UM_Target_ID","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"Malate","pubchem_id":"222656","inchi_key":"","kegg_id":"C00149","other_id":"MAL","other_id_type":"UM_Target_ID","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"Nicotinamide Adenine Dinucleotide oxidized","pubchem_id":"10897651","inchi_key":"","kegg_id":"C00003","other_id":"NAD","other_id_type":"UM_Target_ID","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":"UM_Target_ID","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":"UM_Target_ID","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"Nicotinamide Adenine Dinucleotide reduced","pubchem_id":"439153","inchi_key":"","kegg_id":"C00004","other_id":"NADH","other_id_type":"UM_Target_ID","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"Phosphoenolpyruvate","pubchem_id":"1005","inchi_key":"","kegg_id":"C00074","other_id":"PEP","other_id_type":"UM_Target_ID","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"Ribose-5-phosphate or xylulose 5-phosphate","pubchem_id":"77982","inchi_key":"","kegg_id":"C00117","other_id":"R5P/X5P","other_id_type":"UM_Target_ID","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"sedoheptulose","pubchem_id":"102926","inchi_key":"","kegg_id":"","other_id":"SED","other_id_type":"UM_Target_ID","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"Sedoheptulose 7-phosphate","pubchem_id":"165007","inchi_key":"","kegg_id":"C05382","other_id":"S7P","other_id_type":"UM_Target_ID","ri":"","ri_type":"","moverz_quant":"","":""},{"Metabolite":"Sucrose","pubchem_id":"5988","inchi_key":"","kegg_id":"C00089","other_id":"SUC","other_id_type":"UM_Target_ID","ri":"","ri_type":"","moverz_quant":"","":""}]
}

}