{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002022","ANALYSIS_ID":"AN003292","VERSION":"1","CREATED_ON":"December 14, 2021, 9:46 am"},

"PROJECT":{"PROJECT_TITLE":"A Sentinel Serum Quality Management Program for NMR Metabolomics","PROJECT_TYPE":"Metabolomics","PROJECT_SUMMARY":"Pooled human serum (Sentinel Serum Samples) was aliquoted for storage at -80C and subsequently had NMR spectra acquired annually for three years. This was to determine sentinel serum sample utility for a quality management program to monitor NMR reproducibility. Sentinel serum quality control samples allowed the quantification of variance between different profilers within a project. They also demonstrated declines in metabolite concentrations over time. A sentinel program is useful for tracking changes in QC serum samples from long-term storage. Separately, QC samples show negligible variance introduced by multiple profilers of NMR spectra within a project.","INSTITUTE":"University of Michigan","DEPARTMENT":"Clinical Pharmacy","LABORATORY":"UMich NMR Metabolomics Laboratory","LAST_NAME":"Stringer","FIRST_NAME":"Kathleen","ADDRESS":"428 Church Street","EMAIL":"stringek@med.umich.edu; stringek@umich.edu","PHONE":"7346474775","FUNDING_SOURCE":"NIH/NIGMS","CONTRIBUTORS":"T. Flott, K Stringer"},

"STUDY":{"STUDY_TITLE":"A Sentinel Serum Quality Management Program for NMR Metabolomics","STUDY_SUMMARY":"Pooled human serum (Sentinel Serum Samples) was aliquoted for storage at -80C and subsequently had NMR spectra acquired annually for three years. This was to determine sentinel serum sample utility for a quality management program to monitor NMR reproducibility. Sentinel serum quality control samples allowed the quantification of variance between different profilers within a project. They also demonstrated declines in metabolite concentrations over time. A sentinel program is useful for tracking changes in QC serum samples from long-term storage. Separately, QC samples show negligible variance introduced by multiple profilers of NMR spectra within a project.","INSTITUTE":"University of Michigan","DEPARTMENT":"Clinical Pharmacy","LABORATORY":"UMich NMR Metabolomics Laboratory","LAST_NAME":"Stringer","FIRST_NAME":"Kathleen","ADDRESS":"428 Church Street","EMAIL":"stringek@med.umich.edu; stringek@umich.edu","NUM_GROUPS":"3","TOTAL_SUBJECTS":"1","STUDY_COMMENTS":"Samples were aliquots of a batch of pooled human serum, collected from multiple different individuals","STUDY_TYPE":"Pharmacometabolomics","PHONE":"7346474775"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_001",
"Factors":{"Year":"1"},
"Additional sample data":{"RAW_FILE_NAME":"236_001"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_002",
"Factors":{"Year":"1"},
"Additional sample data":{"RAW_FILE_NAME":"236_002"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_003",
"Factors":{"Year":"1"},
"Additional sample data":{"RAW_FILE_NAME":"236_003"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_004",
"Factors":{"Year":"1"},
"Additional sample data":{"RAW_FILE_NAME":"236_004"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_005",
"Factors":{"Year":"1"},
"Additional sample data":{"RAW_FILE_NAME":"236_005"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_006",
"Factors":{"Year":"1"},
"Additional sample data":{"RAW_FILE_NAME":"236_006"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_007",
"Factors":{"Year":"1"},
"Additional sample data":{"RAW_FILE_NAME":"236_007"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_008",
"Factors":{"Year":"1"},
"Additional sample data":{"RAW_FILE_NAME":"236_008"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_009",
"Factors":{"Year":"1"},
"Additional sample data":{"RAW_FILE_NAME":"236_009"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_010",
"Factors":{"Year":"1"},
"Additional sample data":{"RAW_FILE_NAME":"236_010"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_011",
"Factors":{"Year":"1"},
"Additional sample data":{"RAW_FILE_NAME":"236_011"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_012",
"Factors":{"Year":"1"},
"Additional sample data":{"RAW_FILE_NAME":"236_012"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_013",
"Factors":{"Year":"2"},
"Additional sample data":{"RAW_FILE_NAME":"236_013"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_014",
"Factors":{"Year":"2"},
"Additional sample data":{"RAW_FILE_NAME":"236_014"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_015",
"Factors":{"Year":"2"},
"Additional sample data":{"RAW_FILE_NAME":"236_015"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_016",
"Factors":{"Year":"2"},
"Additional sample data":{"RAW_FILE_NAME":"236_016"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_017",
"Factors":{"Year":"2"},
"Additional sample data":{"RAW_FILE_NAME":"236_017"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_018",
"Factors":{"Year":"2"},
"Additional sample data":{"RAW_FILE_NAME":"236_018"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_019",
"Factors":{"Year":"2"},
"Additional sample data":{"RAW_FILE_NAME":"236_019"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_020",
"Factors":{"Year":"2"},
"Additional sample data":{"RAW_FILE_NAME":"236_020"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_021",
"Factors":{"Year":"2"},
"Additional sample data":{"RAW_FILE_NAME":"236_021"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_022",
"Factors":{"Year":"2"},
"Additional sample data":{"RAW_FILE_NAME":"236_022"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_023",
"Factors":{"Year":"2"},
"Additional sample data":{"RAW_FILE_NAME":"236_023"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_024",
"Factors":{"Year":"2"},
"Additional sample data":{"RAW_FILE_NAME":"236_024"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_025",
"Factors":{"Year":"3"},
"Additional sample data":{"RAW_FILE_NAME":"236_025"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_026",
"Factors":{"Year":"3"},
"Additional sample data":{"RAW_FILE_NAME":"236_026"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_027",
"Factors":{"Year":"3"},
"Additional sample data":{"RAW_FILE_NAME":"236_027"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_028",
"Factors":{"Year":"3"},
"Additional sample data":{"RAW_FILE_NAME":"236_028"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_029",
"Factors":{"Year":"3"},
"Additional sample data":{"RAW_FILE_NAME":"236_029"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_030",
"Factors":{"Year":"3"},
"Additional sample data":{"RAW_FILE_NAME":"236_030"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_031",
"Factors":{"Year":"3"},
"Additional sample data":{"RAW_FILE_NAME":"236_031"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_032",
"Factors":{"Year":"3"},
"Additional sample data":{"RAW_FILE_NAME":"236_032"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_033",
"Factors":{"Year":"3"},
"Additional sample data":{"RAW_FILE_NAME":"236_033"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_034",
"Factors":{"Year":"3"},
"Additional sample data":{"RAW_FILE_NAME":"236_034"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_035",
"Factors":{"Year":"3"},
"Additional sample data":{"RAW_FILE_NAME":"236_035"}
},
{
"Subject ID":"Pooled Human Serum",
"Sample ID":"236_036",
"Factors":{"Year":"3"},
"Additional sample data":{"RAW_FILE_NAME":"236_036"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Samples were aliquoted from pooled sera collected from multiple individuals. Samples were purchased from Innovative Research (Novi, MI).","SAMPLE_TYPE":"Blood (serum)","STORAGE_CONDITIONS":"-80℃","STORAGE_VIALS":"Wheaton 2mL Cryovials","ADDITIVES":"Na Heparin"},

"TREATMENT":{"TREATMENT_SUMMARY":"Samples were not treated, beyond the initial aliquotting of the pooled human sera upon receipt at our laboratory before storage at -80C"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Prior to spectral acquisition samples were methanol precipitated and ultrafiltered to remove macromolecules prior to spectra acquisition","SAMPLEPREP_PROTOCOL_FILENAME":"Serum_Precipitation_SOP.docx, Serum_Filtration_SOP.docx","PROCESSING_STORAGE_CONDITIONS":"On ice","EXTRACTION_METHOD":"Methanol Precipitation","EXTRACT_STORAGE":"-80℃","SAMPLE_RESUSPENSION":"Samples were resuspended in 50mM phosphate buffer in D2O","SAMPLE_SPIKING":"Samples were spiked with a Formate solution in D2O of known concentration"},

"ANALYSIS":{"ANALYSIS_TYPE":"NMR"},

"NM":{"INSTRUMENT_NAME":"Varian 500 MHz","INSTRUMENT_TYPE":"FT-NMR","NMR_EXPERIMENT_TYPE":"1D-1H","SPECTROMETER_FREQUENCY":"500","NMR_SOLVENT":"D2O","NMR_TUBE_SIZE":"5mm","SHIMMING_METHOD":"Auto shim (gradient shimming), with manual shimming when necessary","PULSE_SEQUENCE":"1D-NOESY","WATER_SUPPRESSION":"Saturation at 80Hz induced field strength","TEMPERATURE":"25","NUMBER_OF_SCANS":"32"},

"NMR_METABOLITE_DATA":{
"Units":"uM",

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}

}