{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000532","ANALYSIS_ID":"AN000811","VERSION":"1","CREATED_ON":"January 24, 2017, 1:01 pm"},

"PROJECT":{"PROJECT_TITLE":"CHEAR Plasma Reference Material ProficiencyTest GC-MS","PROJECT_TYPE":"CHEAR-UT-1","PROJECT_SUMMARY":"CHEAR Reference Material Plasma was provided by Emory University.  The material was prepared and analyzed using the GC-TOF MS workflow of the Eastern Regional Metabolomics Resource Core (protocols available in metabolomics workbench). Seven samples were injected of the sample reference material prepared in replicate.","INSTITUTE":"RTI International","DEPARTMENT":"Discovery-Sciences-Technology (DST)","LABORATORY":"RTI CHEAR Analytical Hub - Untargeted Analysis Resource Core (UARC)","LAST_NAME":"Fennell","FIRST_NAME":"Timothy","ADDRESS":"3040 E Cornwallis Road, Research Triangle Park, NC 27709","EMAIL":"fennell@rti.org","PHONE":"919-485-2781"},

"STUDY":{"STUDY_TITLE":"CHEAR Plasma Reference Material Plasma GC-MS","STUDY_TYPE":"Metabolomics","STUDY_SUMMARY":"CHEAR Reference Material Plasma was provided by Emory University.  The material was prepared and analyzed using the GC-TOF MS workflow of the Eastern Regional Metabolomics Resource Core (protocols available in metabolomics workbench). Seven samples were injected of the sample reference material prepared in replicate.","INSTITUTE":"RTI International","DEPARTMENT":"Discovery-Sciences-Technology (DST)","LABORATORY":"RTI CHEAR Analytical Hub - Untargeted Analysis Resource Core","LAST_NAME":"Fennell","FIRST_NAME":"Timothy","ADDRESS":"3040 E Cornwallis Road, Research Triangle Park, NC 27709","EMAIL":"fennell@rti.org","PHONE":"919-485-2781"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"CHE000054 0202a",
"Factors":{"SAMPLE TYPE":"Replicate"},
"Additional sample data":{"CHEAR ID":"CHE000054","Aliquot ID":"202a","BINBASE ID":"161012atbcsa07","SPECIES":"human","MATRIX":"PLASMA"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000054 0203a",
"Factors":{"SAMPLE TYPE":"Replicate"},
"Additional sample data":{"CHEAR ID":"CHE000054","Aliquot ID":"203a","BINBASE ID":"161012atbcsa08","SPECIES":"human","MATRIX":"PLASMA"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000054 0204a",
"Factors":{"SAMPLE TYPE":"Replicate"},
"Additional sample data":{"CHEAR ID":"CHE000054","Aliquot ID":"204a","BINBASE ID":"161012atbcsa09","SPECIES":"human","MATRIX":"PLASMA"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000054 0205a",
"Factors":{"SAMPLE TYPE":"Replicate"},
"Additional sample data":{"CHEAR ID":"CHE000054","Aliquot ID":"205a","BINBASE ID":"161012atbcsa10","SPECIES":"human","MATRIX":"PLASMA"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000054 0206a",
"Factors":{"SAMPLE TYPE":"Replicate"},
"Additional sample data":{"CHEAR ID":"CHE000054","Aliquot ID":"206a","BINBASE ID":"161012atbcsa11","SPECIES":"human","MATRIX":"PLASMA"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000054 0207a",
"Factors":{"SAMPLE TYPE":"Replicate"},
"Additional sample data":{"CHEAR ID":"CHE000054","Aliquot ID":"207a","BINBASE ID":"161012atbcsa12","SPECIES":"human","MATRIX":"PLASMA"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000054 0208a",
"Factors":{"SAMPLE TYPE":"Replicate"},
"Additional sample data":{"CHEAR ID":"CHE000054","Aliquot ID":"208a","BINBASE ID":"161012atbcsa13","SPECIES":"human","MATRIX":"PLASMA"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"CHEAR Reference Material Plasma was provided by Emory University."},

"TREATMENT":{"TREATMENT_SUMMARY":"No treatment."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"liquots of 30µL of plasma were mixed with 1000µL of (3:3:2) ACN:IPA:H2O by vortex mixer then centrifuged. Supernatant recovered. Archived 450µL of supernatant. Continued prep of remaining 450µL supernatant. Evaporated to dryness w/speed vac. Samples resuspended in 450µL of 1:1 ACN:H2O. Evaporated to dryness w/speed vac. Formation of methoximes by adding 10µL of 40mg/mL MeOx in pyridine to each sample. Placed onto Thermomixer for 90 min at 30⁰C. Then FAME retention index markers and MSTFA added to each sample for derivatization step. Samples returned to Thermomixer for 45 min at 70⁰C."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Leco Pegasus 4D GC","COLUMN_NAME":"Restek Rtx-5Sil MS (30 x 0.25mm, 0.25um)","FLOW_GRADIENT":"Constant Flow","FLOW_RATE":"1mL/min","COLUMN_PRESSURE":"10.4 psi","INJECTION_TEMPERATURE":"250 degrees C","RETENTION_INDEX":"FAME retention index markers C8-C30","SAMPLE_INJECTION":"0.5uL","ANALYTICAL_TIME":"20 minutes","TRANSFERLINE_TEMPERATURE":"280 degrees C"},

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

"MS":{"INSTRUMENT_NAME":"Leco Pegasus 4D GCxGC TOF","INSTRUMENT_TYPE":"GC x GC-TOF","MS_TYPE":"EI","ION_MODE":"POSITIVE"},

"MS_METABOLITE_DATA":{
"Units":"intensity",

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