{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001176","ANALYSIS_ID":"AN001952","VERSION":"1","CREATED_ON":"May 1, 2019, 1:54 pm"},

"PROJECT":{"PROJECT_TITLE":"Metabolite analysis of subjects before and after YF17D vaccination","PROJECT_TYPE":"CE-MS/MS analysis","PROJECT_SUMMARY":"CE-MS/MS analysis of plasma from subjects given the Yellow Fever live-attenuated vaccine (YF17D). Plasma metabolites were measured before vaccination (day 0) or 1 day after vaccination.","INSTITUTE":"Duke-NUS Medical School","DEPARTMENT":"Emerging Infectious Diseases","LAST_NAME":"Chan","FIRST_NAME":"Kuan Rong","ADDRESS":"8 College Road Singapore 169857, Singapore, Singapore, 169857, Singapore","EMAIL":"kuanrong.chan@duke-nus.edu.sg","PHONE":"90058277"},

"STUDY":{"STUDY_TITLE":"Metabolite changes in human plasma before and after YF17D vaccination in symptomatic and asymptomatic subjects","STUDY_SUMMARY":"Plasma was taken before and 1 day post-YF17D vaccination in a total of 13 subjects, of which 6 were asymptomatic and 7 were symptomatic.","INSTITUTE":"Duke-NUS Medical School","LAST_NAME":"Chan","FIRST_NAME":"Kuan Rong","ADDRESS":"8 College Road Singapore 169857, Singapore, Singapore, 169857, Singapore","EMAIL":"kuanrong.chan@duke-nus.edu.sg","PHONE":"90058277","NUM_GROUPS":"2","TOTAL_SUBJECTS":"13"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"111",
"Sample ID":"C1_d0",
"Factors":{"Outcome":"Asymptomatic","Day post-vaccination":"day 0"}
},
{
"Subject ID":"112",
"Sample ID":"C2_d0",
"Factors":{"Outcome":"Asymptomatic","Day post-vaccination":"day 0"}
},
{
"Subject ID":"113",
"Sample ID":"C3_d0",
"Factors":{"Outcome":"Asymptomatic","Day post-vaccination":"day 0"}
},
{
"Subject ID":"118",
"Sample ID":"C4_d0",
"Factors":{"Outcome":"Asymptomatic","Day post-vaccination":"day 0"}
},
{
"Subject ID":"119",
"Sample ID":"C5_d0",
"Factors":{"Outcome":"Asymptomatic","Day post-vaccination":"day 0"}
},
{
"Subject ID":"123",
"Sample ID":"C6_d0",
"Factors":{"Outcome":"Asymptomatic","Day post-vaccination":"day 0"}
},
{
"Subject ID":"111",
"Sample ID":"C1_d1",
"Factors":{"Outcome":"Asymptomatic","Day post-vaccination":"day 1"}
},
{
"Subject ID":"112",
"Sample ID":"C2_d1",
"Factors":{"Outcome":"Asymptomatic","Day post-vaccination":"day 1"}
},
{
"Subject ID":"113",
"Sample ID":"C3_d1",
"Factors":{"Outcome":"Asymptomatic","Day post-vaccination":"day 1"}
},
{
"Subject ID":"118",
"Sample ID":"C4_d1",
"Factors":{"Outcome":"Asymptomatic","Day post-vaccination":"day 1"}
},
{
"Subject ID":"119",
"Sample ID":"C5_d1",
"Factors":{"Outcome":"Asymptomatic","Day post-vaccination":"day 1"}
},
{
"Subject ID":"123",
"Sample ID":"C6_d1",
"Factors":{"Outcome":"Asymptomatic","Day post-vaccination":"day 1"}
},
{
"Subject ID":"106",
"Sample ID":"AE1_d0",
"Factors":{"Outcome":"Symptomatic","Day post-vaccination":"day 0"}
},
{
"Subject ID":"114",
"Sample ID":"AE2_d0",
"Factors":{"Outcome":"Symptomatic","Day post-vaccination":"day 0"}
},
{
"Subject ID":"115",
"Sample ID":"AE3_d0",
"Factors":{"Outcome":"Symptomatic","Day post-vaccination":"day 0"}
},
{
"Subject ID":"120",
"Sample ID":"AE4_d0",
"Factors":{"Outcome":"Symptomatic","Day post-vaccination":"day 0"}
},
{
"Subject ID":"122",
"Sample ID":"AE5_d0",
"Factors":{"Outcome":"Symptomatic","Day post-vaccination":"day 0"}
},
{
"Subject ID":"401",
"Sample ID":"AE6_d0",
"Factors":{"Outcome":"Symptomatic","Day post-vaccination":"day 0"}
},
{
"Subject ID":"409",
"Sample ID":"AE7_d0",
"Factors":{"Outcome":"Symptomatic","Day post-vaccination":"day 0"}
},
{
"Subject ID":"106",
"Sample ID":"AE1_d1",
"Factors":{"Outcome":"Symptomatic","Day post-vaccination":"day 1"}
},
{
"Subject ID":"114",
"Sample ID":"AE2_d1",
"Factors":{"Outcome":"Symptomatic","Day post-vaccination":"day 1"}
},
{
"Subject ID":"115",
"Sample ID":"AE3_d1",
"Factors":{"Outcome":"Symptomatic","Day post-vaccination":"day 1"}
},
{
"Subject ID":"120",
"Sample ID":"AE4_d1",
"Factors":{"Outcome":"Symptomatic","Day post-vaccination":"day 1"}
},
{
"Subject ID":"122",
"Sample ID":"AE5_d1",
"Factors":{"Outcome":"Symptomatic","Day post-vaccination":"day 1"}
},
{
"Subject ID":"401",
"Sample ID":"AE6_d1",
"Factors":{"Outcome":"Symptomatic","Day post-vaccination":"day 1"}
},
{
"Subject ID":"409",
"Sample ID":"AE7_d1",
"Factors":{"Outcome":"Symptomatic","Day post-vaccination":"day 1"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Plasma collected from subjects in EDTA-treated tubes before (day 0) and 1 day post-YF17D vaccination","SAMPLE_TYPE":"Blood (plasma)"},

"TREATMENT":{"TREATMENT_SUMMARY":"Subjects were all given the YF17D vaccine, of which 6 were asymptomatic and 7 were symptomatic after vaccination. Plasma was collected before (day 0) and 1 day post-YF17D vaccination"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"CE-MS/MS profiling was conducted by Basic Scan package of Human Metabolome Technologies (HMT) using capillary electrophoresis time-of-flight mass spectrometry (CE-TOFMS).Briefly, CE-TOFMS analysis was carried out using an Agilent CE capillary electrophoresis system equipped with an Agilent 6210 time-of-flight mass spectrometer, Agilent 1100 isocratic HPLC pump, Agilent G1603A CE-MS adapter kit, and Agilent G1607A CE-ESI-MS sprayer kit (Agilent Technologies, Waldbronn, Germany). The systems were controlled by Agilent G2201AA ChemStation software version B.03.01 for CE (Agilent Technologies) and connected by a fused silica capillary (50 μm i.d. × 80 cm total length) with commercial electrophoresis buffer (H3301-1001 and H3302-1021 for cation and anion analyses, respectively, HMT) as the electrolyte. The spectrometer was scanned from m/z 50 to 1,000. Peaks were extracted using MasterHands, automatic integration software (Keio University, Tsuruoka, Yamagata, Japan) in order to obtain peak information including m/z, peak area, and migration time (MT)43. Signal peaks corresponding to isotopomers, adduct ions, and other product ions of known metabolites were excluded, and remaining peaks were annotated according to the HMT metabolite database based on their m/z values with the MTs. Areas of the annotated peaks were then normalized based on internal standard levels and sample volumes in order to obtain relative levels of each metabolite."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"CEMS conducted by Basic Scan package of Human Metabolome 239 Technologies (HMT)","CHROMATOGRAPHY_TYPE":"Other","INSTRUMENT_NAME":"Agilent 6210","COLUMN_NAME":"Agilent capillary electrophoresis system"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 6210 TOF","INSTRUMENT_TYPE":"CE-TOFMS","MS_TYPE":"Other","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"The spectrometer was scanned from m/z 50 to 1,000. Peaks were extracted using MasterHands, automatic integration software (Keio University, Tsuruoka, Yamagata, Japan) in order to obtain peak information including m/z, peak area, and migration time (MT)43. Signal peaks corresponding to isotopomers, adduct ions, and other product ions of known metabolites were excluded, and remaining peaks were annotated according to the HMT metabolite database based on their m/z values with the MTs. Areas of the annotated peaks were then normalized based on internal standard levels and sample volumes in order to obtain relative levels of each metabolite. Partial least square discriminant analysis was performed by HMT’s proprietary software, PeakStat and SampleStat, respectively. Pathway analysis is performed by MetaboAnalyst 4.0."},

"MS_METABOLITE_DATA":{
"Units":"uM",

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}

}