{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000174","ANALYSIS_ID":"AN000268","VERSION":"1","CREATED_ON":"2016-09-17"},

"PROJECT":{"PROJECT_TITLE":"Nlrp3","PROJECT_SUMMARY":"Unstimulated vs Stimulated n=4","INSTITUTE":"University of Michigan","DEPARTMENT":"Pathology","LABORATORY":"Nunez","LAST_NAME":"Nunez","FIRST_NAME":"Gabriel","ADDRESS":"Ann Arbor, MI","EMAIL":"bclx@med.umich.edu","PHONE":"734-764-8514"},

"STUDY":{"STUDY_TITLE":"Mouse macrophages  from bone marrow treatment","STUDY_TYPE":"See attached document","STUDY_SUMMARY":"The experiment was done on 4/2/2014 and consists of 7 experimental conditions x replicates per condition = 14 samples. The experimental duplicates are numbered (i.e. 1 and 2, 3 and 4, etc.). All samples are primary mouse macrophages from bone marrow. 12 million cells were plated in each 10 cm tissue culture plate (Corning) and the following day the cells were stimulated with LPS, CL097 and/or Gardiquimod in 10 mls of 2% FBS 25 mM HEPES IMDM. After 60 minutes medium was aspirated and the cells were rapidly wahsed with 15 mls of 150 mM acetate and after aspiration liquid nitrogen was poured on top of the cells and to -80 C freezer. Sample pairs 7 - 8 and 9-10 were treated identically except the rinse was done with ammonium acetate (7 and 8) or distilled water (9 and to evaluate the effect of the rinse solution in the quality of the obtained","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":"-","NUM_GROUPS":"10","TOTAL_SUBJECTS":"14"},

"SUBJECT":{"SUBJECT_TYPE":"-","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"SU0003757",
"Sample ID":"S00014354",
"Factors":{"Agonist":"CL097","Priming":"LPS","Rinse":"None"}
},
{
"Subject ID":"SU0003757",
"Sample ID":"S00014355",
"Factors":{"Agonist":"CL097","Priming":"LPS","Rinse":"None"}
},
{
"Subject ID":"SU0003758",
"Sample ID":"S00014356",
"Factors":{"Agonist":"Gardiquimod","Priming":"LPS","Rinse":"None"}
},
{
"Subject ID":"SU0003758",
"Sample ID":"S00014357",
"Factors":{"Agonist":"Gardiquimod","Priming":"LPS","Rinse":"None"}
},
{
"Subject ID":"SU0003756",
"Sample ID":"S00014352",
"Factors":{"Agonist":"Gramicidin","Priming":"LPS","Rinse":"H2O rinse"}
},
{
"Subject ID":"SU0003755",
"Sample ID":"S00014350",
"Factors":{"Agonist":"Gramicidin","Priming":"LPS","Rinse":"None"}
},
{
"Subject ID":"SU0003754",
"Sample ID":"S00014348",
"Factors":{"Agonist":"Gramicidin","Priming":"None","Rinse":"None"}
},
{
"Subject ID":"SU0003756",
"Sample ID":"S00014353",
"Factors":{"Agonist":"Gramidicin","Priming":"LPS","Rinse":"H2O rinse"}
},
{
"Subject ID":"SU0003755",
"Sample ID":"S00014351",
"Factors":{"Agonist":"Gramidicin","Priming":"LPS","Rinse":"None"}
},
{
"Subject ID":"SU0003754",
"Sample ID":"S00014349",
"Factors":{"Agonist":"Gramidicin","Priming":"None","Rinse":"None"}
},
{
"Subject ID":"SU0003753",
"Sample ID":"S00014346",
"Factors":{"Agonist":"None","Priming":"LPS","Rinse":"None"}
},
{
"Subject ID":"SU0003753",
"Sample ID":"S00014347",
"Factors":{"Agonist":"None","Priming":"LPS","Rinse":"None"}
},
{
"Subject ID":"SU0003752",
"Sample ID":"S00014344",
"Factors":{"Agonist":"None","Priming":"None","Rinse":"None"}
},
{
"Subject ID":"SU0003752",
"Sample ID":"S00014345",
"Factors":{"Agonist":"None","Priming":"None","Rinse":"None"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"-","SAMPLE_TYPE":"Cells"},

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

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

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

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"MRC2 (University of Michigan)","ACQUISITION_PARAMETERS_FILE":"QTOF-002-HILIC-35min-1mm-No_Insert.m.zip","PROCESSING_PARAMETERS_FILE":"EX00289-MassHunterQuant-GlyTCA-LCMS-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_2PG/3PG","S00014354":"1.0494","S00014355":"1.3942","S00014356":"2.8205","S00014357":"2.5683","S00014352":"4.1072","S00014350":"10.2820","S00014348":"3.7042","S00014353":"3.2632","S00014351":"3.9296","S00014349":"3.7430","S00014346":"3.8949","S00014347":"8.1576","S00014344":"7.9188","S00014345":"3.8938"},{"Metabolite":"6-Phosphogluconate","S00014354":"0.5471","S00014355":"0.8237","S00014356":"1.4006","S00014357":"0.9114","S00014352":"1.4036","S00014350":"6.0292","S00014348":"1.3281","S00014353":"2.8558","S00014351":"7.5143","S00014349":"1.0025","S00014346":"1.5099","S00014347":"8.3502","S00014344":"3.5302","S00014345":"1.7132"},{"Metabolite":"Acetyl-CoA","S00014354":"0.5690","S00014355":"0.2568","S00014356":"0.6756","S00014357":"0.6233","S00014352":"1.3706","S00014350":"0.2415","S00014348":"0.5077","S00014353":"0.1319","S00014351":"0.4947","S00014349":"0.6204","S00014346":"2.1008","S00014347":"0.6814","S00014344":"3.0192","S00014345":"1.9674"},{"Metabolite":"ADP","S00014354":"52.6842","S00014355":"57.5349","S00014356":"44.8088","S00014357":"26.1730","S00014352":"21.5733","S00014350":"13.2795","S00014348":"74.4780","S00014353":"4.2287","S00014351":"65.5902","S00014349":"54.8321","S00014346":"55.7849","S00014347":"161.8897","S00014344":"205.1254","S00014345":"82.6191"},{"Metabolite":"alpha-Ketoglutarate","S00014354":"47.0842","S00014355":"128.0396","S00014356":"28.0642","S00014357":"7.6897","S00014352":"9.7954","S00014350":"168.6839","S00014348":"42.3369","S00014353":"74.9946","S00014351":"105.6329","S00014349":"19.5165","S00014346":"18.9061","S00014347":"329.3616","S00014344":"83.1426","S00014345":"35.2645"},{"Metabolite":"AMP","S00014354":"76.5378","S00014355":"27.1297","S00014356":"159.0582","S00014357":"194.3999","S00014352":"241.4281","S00014350":"16.8205","S00014348":"230.5189","S00014353":"5.8977","S00014351":"77.3951","S00014349":"269.3636","S00014346":"397.6437","S00014347":"171.0569","S00014344":"906.6525","S00014345":"506.6701"},{"Metabolite":"ATP","S00014354":"32.8171","S00014355":"41.8404","S00014356":"117.6068","S00014357":"120.9454","S00014352":"71.8726","S00014350":"120.2651","S00014348":"87.3411","S00014353":"38.0911","S00014351":"75.9822","S00014349":"80.3558","S00014346":"260.3726","S00014347":"440.6007","S00014344":"532.2357","S00014345":"277.6291"},{"Metabolite":"Citrate or Isocitrate","S00014354":"2.6971","S00014355":"3.7767","S00014356":"6.4447","S00014357":"6.1458","S00014352":"12.9459","S00014350":"22.5954","S00014348":"11.6099","S00014353":"5.4284","S00014351":"11.9180","S00014349":"10.6722","S00014346":"11.8280","S00014347":"26.1497","S00014344":"38.1070","S00014345":"16.1228"},{"Metabolite":"flavin adenine dinucleotide","S00014354":"3.5169","S00014355":"6.6631","S00014356":"18.6692","S00014357":"19.2117","S00014352":"28.5602","S00014350":"35.7964","S00014348":"36.9917","S00014353":"13.2146","S00014351":"27.1073","S00014349":"32.4625","S00014346":"34.3196","S00014347":"67.6484","S00014344":"83.7510","S00014345":"47.9034"},{"Metabolite":"Fructose 1_6-bisphosphate","S00014354":"652.7995","S00014355":"723.0678","S00014356":"518.3133","S00014357":"486.8363","S00014352":"985.7306","S00014350":"934.8419","S00014348":"956.4265","S00014353":"565.3154","S00014351":"627.4335","S00014349":"848.1710","S00014346":"1116.8519","S00014347":"1949.5882","S00014344":"3464.2210","S00014345":"2146.2010"},{"Metabolite":"Glucose 6-phosphate or fructose-6-phosphate","S00014354":"1.9257","S00014355":"2.2267","S00014356":"2.0749","S00014357":"2.0944","S00014352":"1.1311","S00014350":"3.1031","S00014348":"2.1799","S00014353":"0.5065","S00014351":"2.0742","S00014349":"2.2151","S00014346":"3.6277","S00014347":"7.4183","S00014344":"9.3177","S00014345":"4.0424"},{"Metabolite":"Malate","S00014354":"55.1973","S00014355":"77.9213","S00014356":"32.9770","S00014357":"34.6275","S00014352":"23.6834","S00014350":"85.6886","S00014348":"42.0895","S00014353":"18.8198","S00014351":"37.5535","S00014349":"41.1506","S00014346":"149.2816","S00014347":"209.2503","S00014344":"304.9810","S00014345":"167.0775"},{"Metabolite":"Nicotinamide Adenine Dinucleotide oxidized","S00014354":"23.1419","S00014355":"29.5281","S00014356":"34.8950","S00014357":"35.0931","S00014352":"25.6436","S00014350":"47.9136","S00014348":"37.1797","S00014353":"13.7641","S00014351":"31.1558","S00014349":"35.7789","S00014346":"70.2599","S00014347":"110.2385","S00014344":"176.0899","S00014345":"80.1814"},{"Metabolite":"nicotinamide adenine dinucleotide phosphate oxidized","S00014354":"3.3111","S00014355":"5.9421","S00014356":"3.7421","S00014357":"2.9606","S00014352":"2.0484","S00014350":"9.8581","S00014348":"5.3459","S00014353":"3.5196","S00014351":"5.0331","S00014349":"4.2106","S00014346":"3.1993","S00014347":"20.9558","S00014344":"10.9782","S00014345":"3.8073"},{"Metabolite":"nicotinamide adenine dinucleotide phosphate reduced","S00014354":"18.1414","S00014355":"1.8881","S00014356":"34.6331","S00014357":"39.1564","S00014352":"83.2599","S00014350":"4.1868","S00014348":"15.7800","S00014353":"3.6109","S00014351":"19.9811","S00014349":"29.4112","S00014346":"170.7335","S00014347":"16.0425","S00014344":"242.3769","S00014345":"144.0608"},{"Metabolite":"Nicotinamide Adenine Dinucleotide reduced","S00014354":"35.8611","S00014355":"23.7141","S00014356":"27.2596","S00014357":"29.1568","S00014352":"14.6299","S00014350":"31.9921","S00014348":"20.5127","S00014353":"4.8158","S00014351":"28.4318","S00014349":"25.4223","S00014346":"59.2030","S00014347":"82.3655","S00014344":"121.8218","S00014345":"69.1843"},{"Metabolite":"Phosphoenolpyruvate","S00014354":"0.3489","S00014355":"0.3971","S00014356":"1.2025","S00014357":"1.1612","S00014352":"0.3948","S00014350":"2.4869","S00014348":"1.6574","S00014353":"0.2631","S00014351":"1.8369","S00014349":"1.5782","S00014346":"2.4143","S00014347":"3.2765","S00014344":"4.4455","S00014345":"2.6023"},{"Metabolite":"Sucrose","S00014354":"4.2925","S00014355":"5.6026","S00014356":"10.9184","S00014357":"10.4761","S00014352":"30.0090","S00014350":"34.3012","S00014348":"22.8583","S00014353":"18.5218","S00014351":"19.1234","S00014349":"20.8855","S00014346":"32.8368","S00014347":"48.1953","S00014344":"62.7565","S00014345":"35.6370"}],

"Metabolites":[{"Metabolite":"2 or 3-phosphoglycerate_2PG/3PG","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"724","inchi_key":"","kegg_id":"","other_id":"2PG/3PG","other_id_type":"UM_Target_ID"},{"Metabolite":"6-Phosphogluconate","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"91493","inchi_key":"","kegg_id":"","other_id":"6PG","other_id_type":"UM_Target_ID"},{"Metabolite":"Acetyl-CoA","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"444493","inchi_key":"","kegg_id":"","other_id":"aCoA","other_id_type":"UM_Target_ID"},{"Metabolite":"ADP","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"6022","inchi_key":"","kegg_id":"","other_id":"ADP","other_id_type":"UM_Target_ID"},{"Metabolite":"alpha-Ketoglutarate","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"51","inchi_key":"","kegg_id":"","other_id":"AKG","other_id_type":"UM_Target_ID"},{"Metabolite":"AMP","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"6083","inchi_key":"","kegg_id":"","other_id":"AMP","other_id_type":"UM_Target_ID"},{"Metabolite":"ATP","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"5957","inchi_key":"","kegg_id":"","other_id":"ATP","other_id_type":"UM_Target_ID"},{"Metabolite":"Citrate or Isocitrate","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"311","inchi_key":"","kegg_id":"","other_id":"CIT/ICIT","other_id_type":"UM_Target_ID"},{"Metabolite":"flavin adenine dinucleotide","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"46906035","inchi_key":"","kegg_id":"","other_id":"FAD","other_id_type":"UM_Target_ID"},{"Metabolite":"Fructose 1,6-bisphosphate","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"21125049","inchi_key":"","kegg_id":"","other_id":"FBP","other_id_type":"UM_Target_ID"},{"Metabolite":"Glucose 6-phosphate or fructose-6-phosphate","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"5958","inchi_key":"","kegg_id":"","other_id":"G6P/F6P","other_id_type":"UM_Target_ID"},{"Metabolite":"Malate","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"525","inchi_key":"","kegg_id":"","other_id":"MAL","other_id_type":"UM_Target_ID"},{"Metabolite":"Nicotinamide Adenine Dinucleotide oxidized","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"15938971","inchi_key":"","kegg_id":"","other_id":"NAD","other_id_type":"UM_Target_ID"},{"Metabolite":"nicotinamide adenine dinucleotide phosphate oxidized","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"15938972","inchi_key":"","kegg_id":"","other_id":"NADP","other_id_type":"UM_Target_ID"},{"Metabolite":"nicotinamide adenine dinucleotide phosphate reduced","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"22833512","inchi_key":"","kegg_id":"","other_id":"NADPH","other_id_type":"UM_Target_ID"},{"Metabolite":"Nicotinamide Adenine Dinucleotide reduced","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"439153","inchi_key":"","kegg_id":"","other_id":"NADH","other_id_type":"UM_Target_ID"},{"Metabolite":"Phosphoenolpyruvate","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"1005","inchi_key":"","kegg_id":"","other_id":"PEP","other_id_type":"UM_Target_ID"},{"Metabolite":"Sucrose","moverz_quant":"","ri":"","ri_type":"","pubchem_id":"5988","inchi_key":"","kegg_id":"","other_id":"SUC","other_id_type":"UM_Target_ID"}]
}

}