{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000553","ANALYSIS_ID":"AN000846","VERSION":"1","CREATED_ON":"February 15, 2017, 9:40 am"},

"PROJECT":{"PROJECT_TITLE":"UT Pool Characterization","PROJECT_TYPE":"Reference Material Characterization","PROJECT_SUMMARY":"Human Urine and Plasma (pool)","INSTITUTE":"Mount Sinai","DEPARTMENT":"Environmental Medicine and Public Health","LABORATORY":"Lautenberg Environmental Health Sciences Laboratory, Mount Sinai","LAST_NAME":"Andra","FIRST_NAME":"Syam","ADDRESS":"1428 Madison Avenue, Atran Bldg., Floor 3, Room 002","EMAIL":"syam.andra@mssm.edu","PHONE":"212-241-7369","FUNDING_SOURCE":"NIEHS","PROJECT_COMMENTS":"CHEAR_UT Pool Characterization"},

"STUDY":{"STUDY_TITLE":"CHEAR UT Urine and Plasma Pool Characterization","STUDY_SUMMARY":"Analyze CHEAR UT urine and plasma pool in six replicates","INSTITUTE":"Mount Sinai","LAST_NAME":"Andra","FIRST_NAME":"Syam","ADDRESS":"Mount Sinai","EMAIL":"syam.andra@mssm.edu","PHONE":"212-241-7369"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"Urine_UT_Rep1",
"Factors":{"Sample type":"Urine"}
},
{
"Subject ID":"-",
"Sample ID":"Urine_UT_Rep2",
"Factors":{"Sample type":"Urine"}
},
{
"Subject ID":"-",
"Sample ID":"Urine_UT_Rep3",
"Factors":{"Sample type":"Urine"}
},
{
"Subject ID":"-",
"Sample ID":"Urine_UT_Rep4",
"Factors":{"Sample type":"Urine"}
},
{
"Subject ID":"-",
"Sample ID":"Urine_UT_Rep5",
"Factors":{"Sample type":"Urine"}
},
{
"Subject ID":"-",
"Sample ID":"Urine_UT_Rep6",
"Factors":{"Sample type":"Urine"}
},
{
"Subject ID":"-",
"Sample ID":"Plasma_UT_Rep1",
"Factors":{"Sample type":"Plasma"}
},
{
"Subject ID":"-",
"Sample ID":"Plasma_UT_Rep2",
"Factors":{"Sample type":"Plasma"}
},
{
"Subject ID":"-",
"Sample ID":"Plasma_UT_Rep3",
"Factors":{"Sample type":"Plasma"}
},
{
"Subject ID":"-",
"Sample ID":"Plasma_UT_Rep4",
"Factors":{"Sample type":"Plasma"}
},
{
"Subject ID":"-",
"Sample ID":"Plasma_UT_Rep5",
"Factors":{"Sample type":"Plasma"}
},
{
"Subject ID":"-",
"Sample ID":"Plasma_UT_Rep6",
"Factors":{"Sample type":"Plasma"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"UT urine and plasma reference pools were supplied by the CHEAR Emory Lab Hub"},

"TREATMENT":{"TREATMENT_SUMMARY":"Not available"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Sample preparation Plasma: Plasma samples were stored at -80°C until the day of the analysis. Metabolite extraction was performed by adding 300μL of cold LC-MS grade methanol (containing ISTDs) to 100μL of plasma. Samples were centrifuged to pellet the precipitate (13,000g, 15 min, 4°C). An aliquot of 60μL of the supernatants was transferred to 2 separate LC vials for Reversed-phase chromatography and positive and negative ESI mode detection. Extracts were evaporated to dryness using a speed vac system. The extracts were reconstituted using 50μL of methanol on the day of analysis. In case of the HILIC analysis (positive and negative ESI detection), the extracts were reconstituted using 50μL acetonitrile: water in 8:2 ratio. Urine: Urine samples were stored at -80°C until the day of the analysis. Metabolite extraction was performed by adding 180μL of Acetonitrile (containing ISTDs) to 20μL of urine. Samples were centrifuged to pellet the precipitate (13,000g, 15 min, 4°C). An aliquot of 40μL of the supernatants was transferred to 4 separate LC vials (RP and HILIC mode, positive and negative ESI analysis)."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Metabolites were separated using a C18 column, Zorbax Eclipse Plus C18 (2.1 x 100 mm, 1.8μm particle size), mobile phase A: water and mobile phase B: IPA/ACN(90:10) both with 0.1% HCOOH at a flow rate of 400μL/min injecting 2μL of extracts on a 1290 Infinity II LC System (Agilent Technologies).","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent 1290 Infinity II","COLUMN_NAME":"Agilent Zorbax Eclipse Plus C18 (100 x 2.1mm, 1.8 um)"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Agilent 6550 QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE"},

"MS_METABOLITE_DATA":{
"Units":"Peak Area",

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