{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001042","ANALYSIS_ID":"AN001705","VERSION":"1","CREATED_ON":"August 23, 2018, 4:27 pm"},

"PROJECT":{"PROJECT_TITLE":"Non-targeted serum metabolomic profiling of prostate cancer patients (FI-TWIM-MS PCa )","PROJECT_SUMMARY":"Flow injection ion mobility mass spectrometry data for non-targeted serum metabolomic profiling of prostate cancer patients and healthy individuals","INSTITUTE":"Georgia Institute of Technology","LAST_NAME":"ZANG","FIRST_NAME":"XIAOLING","ADDRESS":"901 Atlantic Drive Atlanta, GA 30332-0400","EMAIL":"xzang3@gatech.edu","PHONE":"404-385-0381"},

"STUDY":{"STUDY_TITLE":"Non-targeted serum metabolomic profiling of prostate cancer patients (FI-TWIM-MS PCa )","STUDY_SUMMARY":"Non-targeted metabolomics study of serum samples from prostate cancer and healthy individuals using flow injection ion mobility mass spectrometry","INSTITUTE":"Georgia Institute of Technology","LAST_NAME":"ZANG","FIRST_NAME":"XIAOLING","ADDRESS":"901 Atlantic Drive Atlanta, GA 30332-0400","EMAIL":"xzang3@gatech.edu","PHONE":"4043850381"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
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"Sample ID":"29H",
"Factors":{"Class":"Healthy"}
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{
"Subject ID":"-",
"Sample ID":"47H",
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},
{
"Subject ID":"-",
"Sample ID":"54C",
"Factors":{"Class":"Cancer"}
},
{
"Subject ID":"-",
"Sample ID":"56C",
"Factors":{"Class":"Cancer"}
},
{
"Subject ID":"-",
"Sample ID":"154C",
"Factors":{"Class":"Cancer"}
},
{
"Subject ID":"-",
"Sample ID":"68C",
"Factors":{"Class":"Cancer"}
},
{
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"Sample ID":"10C",
"Factors":{"Class":"Cancer"}
},
{
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"Sample ID":"9C",
"Factors":{"Class":"Cancer"}
},
{
"Subject ID":"-",
"Sample ID":"78C",
"Factors":{"Class":"Cancer"}
},
{
"Subject ID":"-",
"Sample ID":"62C",
"Factors":{"Class":"Cancer"}
},
{
"Subject ID":"-",
"Sample ID":"88C",
"Factors":{"Class":"Cancer"}
},
{
"Subject ID":"-",
"Sample ID":"132C",
"Factors":{"Class":"Cancer"}
},
{
"Subject ID":"-",
"Sample ID":"66C",
"Factors":{"Class":"Cancer"}
},
{
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"Sample ID":"74C",
"Factors":{"Class":"Cancer"}
},
{
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},
{
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"Sample ID":"130C",
"Factors":{"Class":"Cancer"}
},
{
"Subject ID":"-",
"Sample ID":"114C",
"Factors":{"Class":"Cancer"}
},
{
"Subject ID":"-",
"Sample ID":"112C",
"Factors":{"Class":"Cancer"}
},
{
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"Sample ID":"21C",
"Factors":{"Class":"Cancer"}
},
{
"Subject ID":"-",
"Sample ID":"142C",
"Factors":{"Class":"Cancer"}
},
{
"Subject ID":"-",
"Sample ID":"118C",
"Factors":{"Class":"Cancer"}
},
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"Sample ID":"170C",
"Factors":{"Class":"Cancer"}
},
{
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"Sample ID":"52C",
"Factors":{"Class":"Cancer"}
},
{
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"Sample ID":"122C",
"Factors":{"Class":"Cancer"}
},
{
"Subject ID":"-",
"Sample ID":"108C",
"Factors":{"Class":"Cancer"}
},
{
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"Sample ID":"64C",
"Factors":{"Class":"Cancer"}
},
{
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"Sample ID":"72C",
"Factors":{"Class":"Cancer"}
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"Factors":{"Class":"Cancer"}
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"Factors":{"Class":"Cancer"}
},
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"Sample ID":"96C",
"Factors":{"Class":"Cancer"}
},
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"Factors":{"Class":"Cancer"}
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"Sample ID":"3C",
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"Sample ID":"35C",
"Factors":{"Class":"Cancer"}
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"Sample ID":"156C",
"Factors":{"Class":"Cancer"}
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"Sample ID":"48C",
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"Sample ID":"144C",
"Factors":{"Class":"Cancer"}
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{
"Subject ID":"-",
"Sample ID":"110C",
"Factors":{"Class":"Cancer"}
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"Subject ID":"-",
"Sample ID":"160C",
"Factors":{"Class":"Cancer"}
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"Sample ID":"45C",
"Factors":{"Class":"Cancer"}
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{
"Subject ID":"-",
"Sample ID":"70C",
"Factors":{"Class":"Cancer"}
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{
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"Sample ID":"150C",
"Factors":{"Class":"Cancer"}
},
{
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],
"COLLECTION":{"COLLECTION_SUMMARY":"After approval by the Institutional Review Board (IRB), blood samples were collected at Saint Joseph’s Hospital of Atlanta (GA, USA) by venipuncture from each donor into evacuated blood collection tubes that contained no anticoagulant. Serum was obtained by centrifugation at 5000 rpm for 5 min at 4 °C. Immediately after centrifugation, 200 μL aliquots of serum were frozen and stored at −80 °C for further use. The sample collection and storage procedures for PCa patients and controls were identical.","SAMPLE_TYPE":"Blood (serum)"},

"TREATMENT":{"TREATMENT_SUMMARY":"Prostate cancer patients and healthy individuals"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Frozen serum samples were thawed on ice, and 300 µL of extraction solution (acetone: acetonitrile: methanol 1:1:1, cooled to -20 ˚C) was added to 100 µL of serum. Samples were vortex-mixed for 20 s and centrifuged at 16,000 × g for 5 min to pellet proteins. To remove most lipids and other non-polar metabolites, 800 µL of dichloromethane was added to ~350 µL of supernatant and vortex-mixed. Following the addition of 250 µL deionized water, samples were vortex-mixed and kept on ice for 10 min. The aqueous phase was subject to FI-TWIM-MS analysis. Sample blanks were prepared using deionized water instead of serum following the same procedure."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"None (Direct infusion)","INSTRUMENT_NAME":"Waters","COLUMN_NAME":"none"},

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

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Waters Synapt G2 S QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_RESULTS_FILE":"ST001042_AN001705_Results.txt UNITS:peak area"}

}