{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001231","ANALYSIS_ID":"AN002049","VERSION":"1","CREATED_ON":"August 7, 2019, 9:56 am"},

"PROJECT":{"PROJECT_TITLE":"Pulmonary tuberculosis plasma untargeted metabolomics","PROJECT_TYPE":"Untargeted MS analysis","PROJECT_SUMMARY":"An untargeted metabolomics study on plasma samples from human pulmonary tuberculosis","INSTITUTE":"Zhengjiang University","DEPARTMENT":"School of Medicine","LABORATORY":"Institute of Cell Biology","LAST_NAME":"Li","FIRST_NAME":"Ji-Cheng","ADDRESS":"866 Yuhangtang Road, West Lake District, Hangzhou, Zhejiang Province, 310058, PR China","EMAIL":"lijichen@zju.edu.cn","PHONE":"+86-571-88208088"},

"STUDY":{"STUDY_TITLE":"Plasma untargeted metabolomics study of pulmonary tuberculosis","STUDY_SUMMARY":"In this study, differentially abundant plasma metabolites were screened by using the ultra-high performance liquid chromatography coupled with Q Exactive mass spectrometry in pulmonary tuberculosis(TB) patients and normal controls(NC) or patients with other pulmonary diseases such as, community-acquired pneumonia(CAP) and lung cancer(LC).","INSTITUTE":"Zhengjiang University","DEPARTMENT":"School of Medicine","LABORATORY":"Institute of Cell Biology","LAST_NAME":"Li","FIRST_NAME":"Ji-Cheng","ADDRESS":"866 Yuhangtang Road, West Lake District, Hangzhou, Zhejiang Province, 310058, PR China","EMAIL":"lijichen@zju.edu.cn","PHONE":"+86-571-88208088"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","GENDER":"Male and female"},
"SUBJECT_SAMPLE_FACTORS":[
{
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"Factors":{"Disease":"TB"}
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"Subject ID":"-",
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"Factors":{"Disease":"TB"}
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"Factors":{"Disease":"TB"}
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"Factors":{"Disease":"TB"}
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"Subject ID":"-",
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"Sample ID":"N_11",
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"Sample ID":"N_13",
"Factors":{"Disease":"NC"}
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"Subject ID":"-",
"Sample ID":"N_14",
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"Subject ID":"-",
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"Factors":{"Disease":"NC"}
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"Subject ID":"-",
"Sample ID":"N_16",
"Factors":{"Disease":"NC"}
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"Subject ID":"-",
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"Sample ID":"N_18",
"Factors":{"Disease":"NC"}
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"Subject ID":"-",
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"Subject ID":"-",
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"Factors":{"Disease":"NC"}
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"Subject ID":"-",
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"Subject ID":"-",
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"Factors":{"Disease":"NC"}
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"Subject ID":"-",
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"Factors":{"Disease":"NC"}
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"Subject ID":"-",
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"Factors":{"Disease":"NC"}
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"Subject ID":"-",
"Sample ID":"N_33",
"Factors":{"Disease":"NC"}
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"Subject ID":"-",
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"Factors":{"Disease":"NC"}
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"Factors":{"Disease":"NC"}
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"Factors":{"Disease":"NC"}
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"Factors":{"Disease":"CAP"}
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"Sample ID":"FY18",
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"Subject ID":"-",
"Sample ID":"FY20",
"Factors":{"Disease":"CAP"}
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"Subject ID":"-",
"Sample ID":"FY21",
"Factors":{"Disease":"CAP"}
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"Subject ID":"-",
"Sample ID":"FY23",
"Factors":{"Disease":"CAP"}
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{
"Subject ID":"-",
"Sample ID":"FY24",
"Factors":{"Disease":"CAP"}
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{
"Subject ID":"-",
"Sample ID":"FY25",
"Factors":{"Disease":"CAP"}
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"Subject ID":"-",
"Sample ID":"FY26",
"Factors":{"Disease":"CAP"}
},
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"Subject ID":"-",
"Sample ID":"FY29",
"Factors":{"Disease":"CAP"}
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"Subject ID":"-",
"Sample ID":"FY30",
"Factors":{"Disease":"CAP"}
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"Subject ID":"-",
"Sample ID":"FY32",
"Factors":{"Disease":"CAP"}
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"Subject ID":"-",
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"Factors":{"Disease":"CAP"}
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"Subject ID":"-",
"Sample ID":"FY34",
"Factors":{"Disease":"CAP"}
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{
"Subject ID":"-",
"Sample ID":"FY36",
"Factors":{"Disease":"CAP"}
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{
"Subject ID":"-",
"Sample ID":"FY39",
"Factors":{"Disease":"CAP"}
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{
"Subject ID":"-",
"Sample ID":"FY41",
"Factors":{"Disease":"CAP"}
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{
"Subject ID":"-",
"Sample ID":"FY42",
"Factors":{"Disease":"CAP"}
},
{
"Subject ID":"-",
"Sample ID":"FY5",
"Factors":{"Disease":"CAP"}
},
{
"Subject ID":"-",
"Sample ID":"FY52",
"Factors":{"Disease":"CAP"}
},
{
"Subject ID":"-",
"Sample ID":"FY6",
"Factors":{"Disease":"CAP"}
},
{
"Subject ID":"-",
"Sample ID":"FY60",
"Factors":{"Disease":"CAP"}
},
{
"Subject ID":"-",
"Sample ID":"FY67",
"Factors":{"Disease":"CAP"}
},
{
"Subject ID":"-",
"Sample ID":"FY72",
"Factors":{"Disease":"CAP"}
},
{
"Subject ID":"-",
"Sample ID":"FY74",
"Factors":{"Disease":"CAP"}
},
{
"Subject ID":"-",
"Sample ID":"FY75",
"Factors":{"Disease":"CAP"}
},
{
"Subject ID":"-",
"Sample ID":"FY8",
"Factors":{"Disease":"CAP"}
},
{
"Subject ID":"-",
"Sample ID":"FY91",
"Factors":{"Disease":"CAP"}
},
{
"Subject ID":"-",
"Sample ID":"FY93",
"Factors":{"Disease":"CAP"}
},
{
"Subject ID":"-",
"Sample ID":"FY98",
"Factors":{"Disease":"CAP"}
},
{
"Subject ID":"-",
"Sample ID":"LC01",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC02",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC05",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC08",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC09",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC14",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC16",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC23",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC28",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC34",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC36",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC41",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC42",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC44",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC46",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC48",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC53",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC55",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC56",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC61",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC63",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC64",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC67",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC69",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC72",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC74",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC75",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC84",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC91",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC92",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"LC95",
"Factors":{"Disease":"LC"}
},
{
"Subject ID":"-",
"Sample ID":"QC1",
"Factors":{"Disease":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"QC10",
"Factors":{"Disease":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"QC11",
"Factors":{"Disease":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"QC12",
"Factors":{"Disease":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"QC13",
"Factors":{"Disease":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"QC14",
"Factors":{"Disease":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"QC15",
"Factors":{"Disease":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"QC16",
"Factors":{"Disease":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"QC17",
"Factors":{"Disease":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"QC18",
"Factors":{"Disease":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"QC19",
"Factors":{"Disease":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"QC2",
"Factors":{"Disease":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"QC20",
"Factors":{"Disease":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"QC21",
"Factors":{"Disease":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"QC22",
"Factors":{"Disease":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"QC23",
"Factors":{"Disease":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"QC3",
"Factors":{"Disease":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"QC4",
"Factors":{"Disease":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"QC5",
"Factors":{"Disease":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"QC6",
"Factors":{"Disease":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"QC7",
"Factors":{"Disease":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"QC8",
"Factors":{"Disease":"QC"}
},
{
"Subject ID":"-",
"Sample ID":"QC9",
"Factors":{"Disease":"QC"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Morning fasting heparin anti-coagulated blood samples were drawn and centrifuged at 4°C, 3000 r / min for 10 min. The supernatant was aspirated, and frozen at -80°C.","SAMPLE_TYPE":"Blood (plasma)","STORAGE_CONDITIONS":"-80℃"},

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

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"The frozen heparin anti-coagulated plasma samples were thawed on ice and 100 μl of each sample was transferred to a 1.5ml sterile micro-centrifugen tube. After the addition of 300 μl of methanol (containing internal standard L-2-chlorophenylalanine 1 μg/ml), each sample was vortexed for 30 s, sonicated for 10 min in ice-water bath, and incubated for 1 h at -20°C to precipitate proteins. Then each sample was centrifuged at 12000 rpm for 15 min at 4°C. The resulting supernatants were transferred to LC-MS vials and stored at -80°C until the UPLC-QE-MS analysis. Each quality control sample was also prepared by mixing an equal aliquot of the supernatants from each sample. The treatment methods were the same as above."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"The mobile phase A was 0.1% formic acid in water for positive, and 5 mmol/L ammonium acetate in water for negative, and the mobile phase B was acetonitrile. The elution gradient was set as follows: 0 min, 1% B; 1 min, 1% B; 8 min, 99% B; 10 min, 99% B; 10.1 min, 1% B; 12 min, 1% B.","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Waters Acquity","COLUMN_NAME":"Waters Acquity BEH HSS T3 (100 x 2.1mm, 1.8um)"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"mass range(m/z):70-1000 Convert the mass spectrometry raw data to the mzML format. Then do retention time correction, peak identification, peak extraction, peak integration, peak alignment, etc., and finally compare the database for material identification. ProteoWizard,XCMS,OSI-SMMS,in-house MS/MS database","MS_RESULTS_FILE":"ST001231_AN002049_Results.txt UNITS:peak area Has m/z:Yes Has RT:Yes RT units:Seconds"}

}