{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000837","ANALYSIS_ID":"AN001340","VERSION":"1","CREATED_ON":"August 9, 2017, 9:57 am"},

"PROJECT":{"PROJECT_TITLE":"Hepatocyte Metabolism","PROJECT_TYPE":"MS analysis","PROJECT_SUMMARY":"Differentiating Stem Cells towards Hepatocytes","INSTITUTE":"University of Minnesota","DEPARTMENT":"Chemical Engineering","LABORATORY":"Wei-Shou Hu Lab","LAST_NAME":"Hu","FIRST_NAME":"Wei-Shou","ADDRESS":"St. Paul, Minnesota","EMAIL":"wshu@umn.edu","PHONE":"612-625-0546"},

"STUDY":{"STUDY_TITLE":"Hepatocyte Differentiation Metabolism","STUDY_TYPE":"MS analysis","STUDY_SUMMARY":"In the first group of samples, we are looking into the different metabolites and their concentrations within our human embryonic stem cells over the course of differentiation. Our goal is to study how the metabolism of stem cells are changing as they undergo this conversion to become hepatocyte-like cells. In the second group of samples labeled HyCell, we would like to understand the concentrations of metabolites within our CHO cells in order to update the parameters for our metabolic model. Included are two samples from different days of a suspension batch culture which may have different lactate production qualities.","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":"9","TOTAL_SUBJECTS":"5"},

"SUBJECT":{"SUBJECT_TYPE":"HUMAN","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"SU0018074",
"Sample ID":"S00028162",
"Factors":{"Cell Line":"H9","DAYS":"-","Species":"Homo sapiens"}
},
{
"Subject ID":"SU0018075",
"Sample ID":"S00028163",
"Factors":{"Cell Line":"H9","DAYS":"2","Species":"Homo sapiens"}
},
{
"Subject ID":"SU0018076",
"Sample ID":"S00028164",
"Factors":{"Cell Line":"H9","DAYS":"10","Species":"Homo sapiens"}
},
{
"Subject ID":"SU0018077",
"Sample ID":"S00028165",
"Factors":{"Cell Line":"HyCell","DAYS":"3","Species":"Rodentia"}
},
{
"Subject ID":"SU0018078",
"Sample ID":"S00028166",
"Factors":{"Cell Line":"HyCell","DAYS":"4","Species":"Rodentia"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"-"},

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

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"-","SAMPLEPREP_PROTOCOL_FILENAME":"A011_Glycolysis-TCA-nucleotides.pdf"},

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

"ANALYSIS":{"ANALYSIS_TYPE":"MS","ANALYSIS_PROTOCOL_FILE":"A011 - Glycolysis-TCA-nucleotides.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":"PHOSPHOENOLPYRUVATE","S00028162":"","S00028163":".2","S00028164":"","S00028165":"","S00028166":""},{"Metabolite":"D-ERYTHROSE 4-PHOSPHATE","S00028162":"","S00028163":".2","S00028164":"","S00028165":"","S00028166":""},{"Metabolite":"BETA-NAD+","S00028162":".074768075","S00028163":".476158101","S00028164":"","S00028165":".746875446","S00028166":"1.25546986"},{"Metabolite":"COENZYME II","S00028162":".0000808608","S00028163":".061274125","S00028164":".004134183","S00028165":".158581916","S00028166":".630026658"},{"Metabolite":"SEDOHEPTULOSE 7-PHOSPHATE","S00028162":".329333403","S00028163":"1.45647861","S00028164":"1.024216535","S00028165":"3.808783034","S00028166":"1.820460841"},{"Metabolite":"D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE)","S00028162":"6.626729837","S00028163":".734133907","S00028164":"1.944711414","S00028165":"1.940305249","S00028166":"6.881301882"},{"Metabolite":"NADP-REDUCED","S00028162":".259925322","S00028163":"","S00028164":".384491944","S00028165":".440875688","S00028166":".311040693"},{"Metabolite":"CITRIC ACID","S00028162":".859134149","S00028163":"3.673400968","S00028164":"3.286114158","S00028165":"3.016154918","S00028166":"4.090965575"},{"Metabolite":"NADH","S00028162":"1.084019195","S00028163":".599939378","S00028164":"","S00028165":"2.887835095","S00028166":"2.423194838"},{"Metabolite":"FAD","S00028162":"","S00028163":"","S00028164":"","S00028165":".193042438","S00028166":".629406502"},{"Metabolite":"MALIC ACID","S00028162":"2.691627655","S00028163":"5.456108168","S00028164":"4.379554799","S00028165":"7.566427989","S00028166":"5.584388429"},{"Metabolite":"ADENOSINE TRIPHOSPHATE","S00028162":"21.72795479","S00028163":"18.67938705","S00028164":"23.93479834","S00028165":"3.482746925","S00028166":"10.81652"},{"Metabolite":"ROBISON ESTER","S00028162":"5.4115895","S00028163":"5.448362465","S00028164":"5.359837239","S00028165":"10.47870901","S00028166":"5.543442789"},{"Metabolite":"SUCROSE","S00028162":"4.494843312","S00028163":"8.297472943","S00028164":"10.38803961","S00028165":"26.2543822","S00028166":"41.39880159"},{"Metabolite":"ADENOSINE 5'-DIPHOSPHATE","S00028162":"3.662677244","S00028163":"13.86359562","S00028164":"7.034660903","S00028165":"10.68330841","S00028166":"17.49163598"},{"Metabolite":"ADENOSINE 5'-MONOPHOSPHATE","S00028162":"1.557754559","S00028163":"12.91734671","S00028164":"5.806994269","S00028165":"27.78290735","S00028166":"18.357133"},{"Metabolite":"GLYCERATE 3-PHOSPHATE","S00028162":"4.789204019","S00028163":"","S00028164":"","S00028165":"","S00028166":"1.829674577"},{"Metabolite":"RIBOSE PHOSPHATE","S00028162":".33890722","S00028163":"1.206375837","S00028164":".501787182","S00028165":"1.644901034","S00028166":"1.417401716"},{"Metabolite":"6-PHOSPHOGLUCONIC ACID","S00028162":".35072745","S00028163":".383905484","S00028164":".615970917","S00028165":"1.705599257","S00028166":"1.40084406"},{"Metabolite":"ACETOACETYL-COA","S00028162":".143736263","S00028163":"","S00028164":"","S00028165":".142070375","S00028166":".148379667"}],

"Metabolites":[{"Metabolite":"PHOSPHOENOLPYRUVATE","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"1005","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"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":""}]
}

}