{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000774","ANALYSIS_ID":"AN001221","VERSION":"1","CREATED_ON":"July 5, 2017, 1:31 pm"},

"PROJECT":{"PROJECT_TITLE":"Metabolic effects of novel aldehyde dehydrogenase inhibitors (ALDH) inhibitors","PROJECT_TYPE":"MS analysis","PROJECT_SUMMARY":"Effect of novel aldehyde dehydrogenase inhibitors (N3 Flux-673-773)","INSTITUTE":"University of Michigan","DEPARTMENT":"Hemtology/Oncology","LABORATORY":"Buckanovich Lab","LAST_NAME":"Buckanovich","FIRST_NAME":"Ronald","ADDRESS":"Ann Arbor, MI","EMAIL":"ronaldbu@umich.edu","PHONE":"734-764-2395"},

"STUDY":{"STUDY_TITLE":"Metabolic effects of novel aldehyde dehydrogenase inhibitors (ALDH) inhibitors","STUDY_TYPE":"MS analysis","STUDY_SUMMARY":"Effect of novel aldehyde dehydrogenase inhibitors. Before an experiment medium was replaced to medium without glucose with addition of labeled glucose on C13. Next, cells were treated with ALDH inhibitors 673 or 773 for 1, 4, or 8 hr (673&773-Jan26)","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":"36"},

"SUBJECT":{"SUBJECT_TYPE":"HUMAN","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"SU0011664",
"Sample ID":"S00017246",
"Factors":{"cell type":"Cd133","time":"NA","treatment":"Control"}
},
{
"Subject ID":"SU0011665",
"Sample ID":"S00017247",
"Factors":{"cell type":"Cd133","time":"NA","treatment":"Control"}
},
{
"Subject ID":"SU0011666",
"Sample ID":"S00017248",
"Factors":{"cell type":"Cd133","time":"NA","treatment":"Control"}
},
{
"Subject ID":"SU0011667",
"Sample ID":"S00017249",
"Factors":{"cell type":"Cd133","time":"1hr","treatment":"Compound 673"}
},
{
"Subject ID":"SU0011668",
"Sample ID":"S00017250",
"Factors":{"cell type":"Cd133","time":"1hr","treatment":"Compound 673"}
},
{
"Subject ID":"SU0011669",
"Sample ID":"S00017251",
"Factors":{"cell type":"Cd133","time":"1hr","treatment":"Compound 673"}
},
{
"Subject ID":"SU0011670",
"Sample ID":"S00017252",
"Factors":{"cell type":"Cd133","time":"1hr","treatment":"Compound 773"}
},
{
"Subject ID":"SU0011671",
"Sample ID":"S00017253",
"Factors":{"cell type":"Cd133","time":"1hr","treatment":"Compound 773"}
},
{
"Subject ID":"SU0011672",
"Sample ID":"S00017254",
"Factors":{"cell type":"Cd133","time":"1hr","treatment":"Compound 773"}
},
{
"Subject ID":"SU0011673",
"Sample ID":"S00017255",
"Factors":{"cell type":"Cd133","time":"4hr","treatment":"Compound 673"}
},
{
"Subject ID":"SU0011674",
"Sample ID":"S00017256",
"Factors":{"cell type":"Cd133","time":"4hr","treatment":"Compound 673"}
},
{
"Subject ID":"SU0011675",
"Sample ID":"S00017257",
"Factors":{"cell type":"Cd133","time":"4hr","treatment":"Compound 673"}
},
{
"Subject ID":"SU0011676",
"Sample ID":"S00017258",
"Factors":{"cell type":"Cd133","time":"4hr","treatment":"Compound 773"}
},
{
"Subject ID":"SU0011677",
"Sample ID":"S00017259",
"Factors":{"cell type":"Cd133","time":"4hr","treatment":"Compound 773"}
},
{
"Subject ID":"SU0011678",
"Sample ID":"S00017260",
"Factors":{"cell type":"Cd133","time":"4hr","treatment":"Compound 773"}
},
{
"Subject ID":"SU0011679",
"Sample ID":"S00017261",
"Factors":{"cell type":"Cd133","time":"8hr","treatment":"Compound 673"}
},
{
"Subject ID":"SU0011680",
"Sample ID":"S00017262",
"Factors":{"cell type":"Cd133","time":"8hr","treatment":"Compound 673"}
},
{
"Subject ID":"SU0011681",
"Sample ID":"S00017263",
"Factors":{"cell type":"Cd133","time":"8hr","treatment":"Compound 673"}
},
{
"Subject ID":"SU0011682",
"Sample ID":"S00017264",
"Factors":{"cell type":"Cd133","time":"8hr","treatment":"Compound 773"}
},
{
"Subject ID":"SU0011683",
"Sample ID":"S00017265",
"Factors":{"cell type":"Cd133","time":"8hr","treatment":"Compound 773"}
},
{
"Subject ID":"SU0011684",
"Sample ID":"S00017266",
"Factors":{"cell type":"Cd133","time":"8hr","treatment":"Compound 773"}
},
{
"Subject ID":"SU0011685",
"Sample ID":"S00017267",
"Factors":{"cell type":"OvCAR8","time":"NA","treatment":"Control"}
},
{
"Subject ID":"SU0011686",
"Sample ID":"S00017268",
"Factors":{"cell type":"OvCAR8","time":"NA","treatment":"Control"}
},
{
"Subject ID":"SU0011687",
"Sample ID":"S00017269",
"Factors":{"cell type":"OvCAR8","time":"NA","treatment":"Control"}
},
{
"Subject ID":"SU0011688",
"Sample ID":"S00017270",
"Factors":{"cell type":"OvCAR8","time":"4hr","treatment":"Compound 673"}
},
{
"Subject ID":"SU0011689",
"Sample ID":"S00017271",
"Factors":{"cell type":"OvCAR8","time":"4hr","treatment":"Compound 673"}
},
{
"Subject ID":"SU0011690",
"Sample ID":"S00017272",
"Factors":{"cell type":"OvCAR8","time":"4hr","treatment":"Compound 673"}
},
{
"Subject ID":"SU0011691",
"Sample ID":"S00017273",
"Factors":{"cell type":"OvCAR8","time":"4hr","treatment":"Compound 773"}
},
{
"Subject ID":"SU0011692",
"Sample ID":"S00017274",
"Factors":{"cell type":"OvCAR8","time":"4hr","treatment":"Compound 773"}
},
{
"Subject ID":"SU0011693",
"Sample ID":"S00017275",
"Factors":{"cell type":"OvCAR8","time":"4hr","treatment":"Compound 773"}
},
{
"Subject ID":"SU0011694",
"Sample ID":"S00017276",
"Factors":{"cell type":"OvCAR8","time":"8hr","treatment":"Compound 673"}
},
{
"Subject ID":"SU0011695",
"Sample ID":"S00017277",
"Factors":{"cell type":"OvCAR8","time":"8hr","treatment":"Compound 673"}
},
{
"Subject ID":"SU0011696",
"Sample ID":"S00017278",
"Factors":{"cell type":"OvCAR8","time":"8hr","treatment":"Compound 673"}
},
{
"Subject ID":"SU0011697",
"Sample ID":"S00017279",
"Factors":{"cell type":"OvCAR8","time":"8hr","treatment":"Compound 773"}
},
{
"Subject ID":"SU0011698",
"Sample ID":"S00017280",
"Factors":{"cell type":"OvCAR8","time":"8hr","treatment":"Compound 773"}
},
{
"Subject ID":"SU0011699",
"Sample ID":"S00017281",
"Factors":{"cell type":"OvCAR8","time":"8hr","treatment":"Compound 773"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"-"},

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

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"-","SAMPLEPREP_PROTOCOL_FILENAME":"A016 - Vitamins.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent","COLUMN_NAME":"C18 2mm x 150mm (Waters Corporation)"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","ANALYSIS_PROTOCOL_FILE":"A016 - Vitamins.pdf"},

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Agilent 6490A QQQ","INSTRUMENT_TYPE":"Triple quadrupole","MS_TYPE":"ESI","ION_MODE":"POSITIVE"},

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

"Data":[{"Metabolite":"PYRIDOXINE","S00017267":"24.43007671","S00017268":"21.6269456","S00017269":"22.62650719","S00017276":"24.00154463","S00017277":"15.54393201","S00017278":"10.35437648","S00017279":"15.59452362","S00017280":"16.16571539","S00017281":"29.15066308"},{"Metabolite":"THIAMINE","S00017267":"10.79397693","S00017268":"10.06137175","S00017269":"8.980899852","S00017276":"11.72607287","S00017277":"8.027883332","S00017278":"7.211966746","S00017279":"5.856295638","S00017280":"7.92861464","S00017281":"12.81816524"},{"Metabolite":"VITAMIN B12","S00017267":"0","S00017268":"0","S00017269":"0","S00017276":"0","S00017277":"0","S00017278":"0","S00017279":"0","S00017280":"0","S00017281":"0"},{"Metabolite":"VITAMIN E","S00017267":"18.45650135","S00017268":"0","S00017269":"0","S00017276":"0","S00017277":"0","S00017278":"8.264731067","S00017279":"0","S00017280":"21.34780856","S00017281":"10.6575933"},{"Metabolite":"BIOTIN","S00017267":"45.66249468","S00017268":"27.49671701","S00017269":"35.09028694","S00017276":"27.29322163","S00017277":"15.87398887","S00017278":"19.01360153","S00017279":"67.2887825","S00017280":"62.77232971","S00017281":"90.04013456"},{"Metabolite":"RETINOL","S00017267":"0","S00017268":"0","S00017269":"0","S00017276":"0","S00017277":"0","S00017278":"0","S00017279":"0","S00017280":"0","S00017281":"0"},{"Metabolite":"RIBOFLAVIN","S00017267":"3.494957201","S00017268":"1.381224773","S00017269":"1.825715918","S00017276":"1.888602445","S00017277":"1.346744163","S00017278":"1.146755701","S00017279":"1.157630257","S00017280":"1.512876449","S00017281":"2.634406117"},{"Metabolite":"PHYLLOQUINONE","S00017267":"0","S00017268":"0","S00017269":"0","S00017276":"0","S00017277":"0","S00017278":"0","S00017279":"0","S00017280":"0","S00017281":"0"},{"Metabolite":"VITAMIN D3","S00017267":"0","S00017268":"0","S00017269":"0","S00017276":"0","S00017277":"0","S00017278":"0","S00017279":"0","S00017280":"0","S00017281":"0"},{"Metabolite":"D-PANTOTHENIC ACID","S00017267":"29.09707464","S00017268":"18.59641104","S00017269":"18.73440021","S00017276":"16.52822684","S00017277":"13.5972944","S00017278":"10.9510651","S00017279":"49.70797947","S00017280":"55.60403347","S00017281":"72.01013964"},{"Metabolite":"NICOTINIC ACID","S00017267":"660.6136186","S00017268":"123.8259323","S00017269":"406.9400845","S00017276":"291.0916759","S00017277":"205.0796831","S00017278":"95.27445992","S00017279":"155.2863165","S00017280":"105.4867836","S00017281":"233.6935326"}],

"Metabolites":[{"Metabolite":"PYRIDOXINE","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"1054","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"THIAMINE","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"1130","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"VITAMIN B12","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"118701016","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"VITAMIN E","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"14985","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"BIOTIN","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"171548","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"RETINOL","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"445354","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"RIBOFLAVIN","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"493570","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"PHYLLOQUINONE","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"5280483","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"VITAMIN D3","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"5280795","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"D-PANTOTHENIC ACID","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"6613","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"NICOTINIC ACID","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"938","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""}]
}

}