{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001039","ANALYSIS_ID":"AN001713","VERSION":"1","CREATED_ON":"September 10, 2018, 10:36 am"},

"PROJECT":{"PROJECT_TITLE":"Denver Asthma Panel Study-CHEAR Ancillary Study","PROJECT_TYPE":"NIH/NIEHS 1U2CES026560-01","PROJECT_SUMMARY":"Urban environments remain a poorly understood toxic environment for children with asthma, where improved exposure characterization and estimation of exposure health outcome relationships are clearly needed. The goal of this project is to investigate the interactions between relevant environmental exposures and asthma severity in a year-long longitudinal study of urban children with asthma. Environmental and clinical samples are being collected at 3 seasonal visits. Using these samples, we will measure the effects of multiple relevant exposures (environmental tobacco smoke (ETS), polycyclic aromatic hydrocarbons (PAHs), phthalates, and volatile organic compounds (VOCs)) on biological responses (metabolomics, oxidative stress, inflammatory markers, and endocannabinoids) and asthma outcomes. Our overall hypothesis is that relevant environmental exposures and their interactions drive disease severity in urban children with asthma. We will test this hypothesis by investigating the following aims: Aim 1: To investigate how environmental exposures (ETS, PAHs, phthalates, and VOCs) and their interactions contribute to asthma severity in urban children. Aim 2: To determine if environmental exposures in children with asthma are associated with changes in biological responses (metabolomics, oxidative stress, inflammatory markers, and endocannabinoids). Aim 3: To determine which biological responses mediate the relationships between environmental exposures and asthma severity. Aim 4: To compare environmental exposures and biological responses in asthmatic and non-asthmatic children","INSTITUTE":"Emory University","DEPARTMENT":"School of Medicine","LABORATORY":"Clinical Biomarkers Laboratory","LAST_NAME":"Uppal","FIRST_NAME":"Karan","ADDRESS":"615 Michael St. Ste 225, Atlanta, GA, 30322, USA","EMAIL":"kuppal2@emory.edu","PHONE":"(404) 727 5027","FUNDING_SOURCE":"NIEHS ES026560"},

"STUDY":{"STUDY_TITLE":"Denver Asthma Panel Study-CHEAR Ancillary Study (part II)","STUDY_SUMMARY":"Urban environments remain a poorly understood toxic environment for children with asthma, where improved exposure characterization and estimation of exposurehealth outcome relationships are clearly needed. The goal of this project is to investigate the interactions between relevant environmental exposures and asthma severity in a year-long longitudinal study of urban children with asthma. Environmental and clinical samples are being collected at 3 seasonal visits. Using these samples, we will measure the effects of multiple relevant exposures (environmental tobacco smoke (ETS), polycyclic aromatic hydrocarbons (PAHs), phthalates, and volatile organic compounds (VOCs)) on biological responses (metabolomics, oxidative stress, inflammatory markers, and endocannabinoids) and asthma outcomes. Our overall hypothesis is that relevant environmental exposures and their interactions drive disease severity in urban children with asthma. We will test this hypothesis by investigating the following aims: Aim 1: To investigate how environmental exposures (ETS, PAHs, phthalates, and VOCs) and their interactions contribute to asthma severity in urban children. Aim 2: To determine if environmental exposures in children with asthma are associated with changes in in biological responses (metabolomics, oxidative stress, inflammatory markers, and endocannabinoids). Aim 3: To determine which biological responses mediate the relationships between environmental exposures and asthma severity. Aim 4: To compare environmental exposures and biological responses in asthmatic and non-asthmatic children","INSTITUTE":"Emory University","DEPARTMENT":"School of Medicine","LABORATORY":"Clincal Biomarkers Laboratory","LAST_NAME":"Uppal","FIRST_NAME":"Karan","ADDRESS":"615 Michael St. Ste 225, Atlanta, GA, 30322, USA","EMAIL":"kuppal2@emory.edu","PHONE":"(404) 727 5027","TOTAL_SUBJECTS":"169","STUDY_COMMENTS":"Both CHEAR pooled urine samples and Clinical Biomarker Laboratory pooled plasma samples were used"},

"SUBJECT":{"SUBJECT_TYPE":"Urine samples","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","AGE_OR_AGE_RANGE":"Teens (12-17 yr)"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"Quality Control",
"Sample ID":"NIST SRM 1950_1a",
"Factors":{"Sample.Matrix":"Plasma"},
"Additional sample data":{"HRM_Sample_Type":"Quality Control","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_001,VT_180426_M342_003,VT_180426_M342_005"}
},
{
"Subject ID":"Quality Control",
"Sample ID":"Q-Std Plasma pool_1a_1",
"Factors":{"Sample.Matrix":"Plasma"},
"Additional sample data":{"HRM_Sample_Type":"Quality Control","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_007,VT_180426_M342_009,VT_180426_M342_011"}
},
{
"Subject ID":"Quality Control",
"Sample ID":"chearurine_1a_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Quality Control","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_013,VT_180426_M342_015,VT_180426_M342_017"}
},
{
"Subject ID":"Quality Control",
"Sample ID":"chearurine_1b_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Quality Control","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_019,VT_180426_M342_021,VT_180426_M342_023"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G660-U-01_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_025,VT_180426_M342_027,VT_180426_M342_029"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1FYQ8-U-02_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_031,VT_180426_M342_033,VT_180426_M342_035"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1GAM9-U-02_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_037,VT_180426_M342_039,VT_180426_M342_041"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1FXK2-U-00_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_043,VT_180426_M342_045,VT_180426_M342_047"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1GAN6-U-00_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_049,VT_180426_M342_051,VT_180426_M342_053"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1GAS5-U-04_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_055,VT_180426_M342_057,VT_180426_M342_059"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G5J7-U-00_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_061,VT_180426_M342_063,VT_180426_M342_065"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G0C8-U-04_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_067,VT_180426_M342_069,VT_180426_M342_071"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G918-U-01_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_073,VT_180426_M342_075,VT_180426_M342_077"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G3H4-U-01_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_079,VT_180426_M342_081,VT_180426_M342_083"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G082-U-00_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_085,VT_180426_M342_087,VT_180426_M342_089"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G1K9-U-00_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_091,VT_180426_M342_093,VT_180426_M342_095"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1FYV7-U-02_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_097,VT_180426_M342_099,VT_180426_M342_101"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G7X4-U-01_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_103,VT_180426_M342_105,VT_180426_M342_107"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G7W7-U-03_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_109,VT_180426_M342_111,VT_180426_M342_113"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1FZE3-U-04_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_115,VT_180426_M342_117,VT_180426_M342_119"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1FXA4-U-04_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_121,VT_180426_M342_123,VT_180426_M342_125"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G7V9-U-00_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_127,VT_180426_M342_129,VT_180426_M342_131"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G2Q5-U-00_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_133,VT_180426_M342_135,VT_180426_M342_137"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G2M4-U-00_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_139,VT_180426_M342_141,VT_180426_M342_143"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G5U3-U-03_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_145,VT_180426_M342_147,VT_180426_M342_149"}
},
{
"Subject ID":"Quality Control",
"Sample ID":"chearurine_1c_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Quality Control","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_151,VT_180426_M342_153,VT_180426_M342_155"}
},
{
"Subject ID":"Quality Control",
"Sample ID":"chearurine_1d_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Quality Control","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_157,VT_180426_M342_159,VT_180426_M342_161"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1FY42-U-01_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_163,VT_180426_M342_165,VT_180426_M342_167"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G1S1-U-02_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_169,VT_180426_M342_171,VT_180426_M342_173"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G5X6-U-01_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_175,VT_180426_M342_177,VT_180426_M342_179"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G520-U-02_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_181,VT_180426_M342_183,VT_180426_M342_185"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G3X8-U-00_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_187,VT_180426_M342_189,VT_180426_M342_191"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G546-U-02_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_193,VT_180426_M342_195,VT_180426_M342_197"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G2A0-U-04_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_199,VT_180426_M342_201,VT_180426_M342_203"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1FY42-U-03_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_205,VT_180426_M342_207,VT_180426_M342_209"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G1T9-U-02_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_211,VT_180426_M342_213,VT_180426_M342_215"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G8D7-U-00_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_217,VT_180426_M342_219,VT_180426_M342_221"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G272-U-03_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_223,VT_180426_M342_225,VT_180426_M342_227"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G0U8-U-00_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_229,VT_180426_M342_231,VT_180426_M342_233"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1FYQ8-U-04_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_235,VT_180426_M342_237,VT_180426_M342_239"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G0J2-U-00_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_241,VT_180426_M342_243,VT_180426_M342_245"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G1Q6-U-00_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_247,VT_180426_M342_249,VT_180426_M342_251"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1GBD7-U-03_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_253,VT_180426_M342_255,VT_180426_M342_257"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G8R7-U-01_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_259,VT_180426_M342_261,VT_180426_M342_263"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1FXK2-U-01_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_265,VT_180426_M342_267,VT_180426_M342_269"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G4L4-U-03_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_271,VT_180426_M342_273,VT_180426_M342_275"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G9F2-U-02_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_277,VT_180426_M342_279,VT_180426_M342_281"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G587-U-04_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_283,VT_180426_M342_285,VT_180426_M342_287"}
},
{
"Subject ID":"Quality Control",
"Sample ID":"chearurine_1e_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Quality Control","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_289,VT_180426_M342_291,VT_180426_M342_293"}
},
{
"Subject ID":"Quality Control",
"Sample ID":"chearurine_1f_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Quality Control","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_295,VT_180426_M342_297,VT_180426_M342_299"}
},
{
"Subject ID":"Quality Control",
"Sample ID":"Q-Std Plasma pool_1b_1",
"Factors":{"Sample.Matrix":"Plasma"},
"Additional sample data":{"HRM_Sample_Type":"Quality Control","Date Analyzed":"180426","Batch":"1","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180426_M342_301,VT_180426_M342_303,VT_180426_M342_305"}
},
{
"Subject ID":"Quality Control",
"Sample ID":"Q-Std Plasma pool_2a_1",
"Factors":{"Sample.Matrix":"Plasma"},
"Additional sample data":{"HRM_Sample_Type":"Quality Control","Date Analyzed":"180427","Batch":"2","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180427_M342_001,VT_180427_M342_003,VT_180427_M342_005"}
},
{
"Subject ID":"Quality Control",
"Sample ID":"chearurine_2a_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Quality Control","Date Analyzed":"180427","Batch":"2","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180427_M342_007,VT_180427_M342_009,VT_180427_M342_011"}
},
{
"Subject ID":"Quality Control",
"Sample ID":"chearurine_2b_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Quality Control","Date Analyzed":"180427","Batch":"2","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180427_M342_013,VT_180427_M342_015,VT_180427_M342_017"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G4L4-U-04_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180427","Batch":"2","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180427_M342_019,VT_180427_M342_021,VT_180427_M342_023"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G2Q5-U-01_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180427","Batch":"2","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180427_M342_025,VT_180427_M342_027,VT_180427_M342_029"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1FYL9-U-04_1",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180427","Batch":"2","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180427_M342_031,VT_180427_M342_033,VT_180427_M342_035"}
},
{
"Subject ID":"Urine Study Sample",
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"Sample ID":"C-1G4Y5-U-04_2",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180501","Batch":"4","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180501_M342_182,VT_180501_M342_184,VT_180501_M342_186"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1FYV7-U-03_2",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180501","Batch":"4","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180501_M342_188,VT_180501_M342_190,VT_180501_M342_192"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1FY42-U-02_2",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180501","Batch":"4","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180501_M342_194,VT_180501_M342_196,VT_180501_M342_198"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G9Q8-U-00_2",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180501","Batch":"4","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180501_M342_200,VT_180501_M342_202,VT_180501_M342_204"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G4B6-U-00_2",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180501","Batch":"4","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180501_M342_206,VT_180501_M342_208,VT_180501_M342_210"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G0L8-U-03_2",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180501","Batch":"4","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180501_M342_212,VT_180501_M342_214,VT_180501_M342_216"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1GA69-U-04_2",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180501","Batch":"4","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180501_M342_218,VT_180501_M342_220,VT_180501_M342_222"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G2X9-U-00_2",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180501","Batch":"4","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180501_M342_224,VT_180501_M342_226,VT_180501_M342_228"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G5H2-U-02_2",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180501","Batch":"4","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180501_M342_230,VT_180501_M342_232,VT_180501_M342_234"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G3M3-U-00_2",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180501","Batch":"4","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180501_M342_236,VT_180501_M342_238,VT_180501_M342_240"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G769-U-01_2",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180501","Batch":"4","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180501_M342_242,VT_180501_M342_244,VT_180501_M342_246"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1FZ58-U-03_2",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180501","Batch":"4","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180501_M342_248,VT_180501_M342_250,VT_180501_M342_252"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G2F9-U-00_2",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180501","Batch":"4","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180501_M342_254,VT_180501_M342_256,VT_180501_M342_258"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G835-U-04_2",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180501","Batch":"4","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180501_M342_260,VT_180501_M342_262,VT_180501_M342_264"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G9B1-U-01_2",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180501","Batch":"4","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180501_M342_266,VT_180501_M342_268,VT_180501_M342_270"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1G645-U-02_2",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180501","Batch":"4","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180501_M342_272,VT_180501_M342_274,VT_180501_M342_276"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1FYQ8-U-01_2",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180501","Batch":"4","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180501_M342_278,VT_180501_M342_280,VT_180501_M342_282"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1GA02-U-02_2",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180501","Batch":"4","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180501_M342_284,VT_180501_M342_286,VT_180501_M342_288"}
},
{
"Subject ID":"Urine Study Sample",
"Sample ID":"C-1FZF1-U-03_2",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Study","Date Analyzed":"180501","Batch":"4","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180501_M342_290,VT_180501_M342_292,VT_180501_M342_294"}
},
{
"Subject ID":"Quality Control",
"Sample ID":"chearurine_4e_2",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Quality Control","Date Analyzed":"180501","Batch":"4","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180501_M342_296,VT_180501_M342_298,VT_180501_M342_300"}
},
{
"Subject ID":"Quality Control",
"Sample ID":"chearurine_4f_2",
"Factors":{"Sample.Matrix":"Urine"},
"Additional sample data":{"HRM_Sample_Type":"Quality Control","Date Analyzed":"180501","Batch":"4","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180501_M342_302,VT_180501_M342_304,VT_180501_M342_306"}
},
{
"Subject ID":"Quality Control",
"Sample ID":"Q-Std Plasma pool_4b_2",
"Factors":{"Sample.Matrix":"Plasma"},
"Additional sample data":{"HRM_Sample_Type":"Quality Control","Date Analyzed":"180501","Batch":"4","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180501_M342_308,VT_180501_M342_310,VT_180501_M342_312"}
},
{
"Subject ID":"Quality Control",
"Sample ID":"NIST SRM 1950_2b",
"Factors":{"Sample.Matrix":"Plasma"},
"Additional sample data":{"HRM_Sample_Type":"Quality Control","Date Analyzed":"180501","Batch":"4","CHEAR_Project_ID":"2016-1450","Raw files":"VT_180501_M342_314,VT_180501_M342_316,VT_180501_M342_318"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Urine samples were collected by random catch methods and transferred to 1.8 ml freezer tubes and stored in a -70 degree C freezer. The samples were shipped on dry ice to the metabolomics analysis lab at Emory University.","SAMPLE_TYPE":"Urine","STORAGE_CONDITIONS":"Described in summary"},

"TREATMENT":{"TREATMENT_SUMMARY":"Samples were received frozen in aliquouts of <250uL. Prior to analysis, samples were thawed and prepared for HRM analysis using the standard protocols described in the Sample Preparation section."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Samples were prepared for metabolomics analysis using established methods(Johnson et al. (2010). Analyst; Go et al. (2015). Tox Sci). Prior to analysis, plasma aliquots were removed from storage at -80 degrees C and thawed on ice. Each cryotube was then vortexed briefly to ensure homogeneity, and 50 microliters was transferred to a clean microfuge tube. Immediately after, the plasma was treated with 100 microliters of ice-cold LC-MS grade acetonitrile (Sigma Aldrich) containing 2.5 microliters of internal standard solution with eight stable isotopic chemicals selected to cover a range of chemical properties. Following addition of acetonitrile, urine was equilibrated for 30 min on ice, upon which precipitated proteins were removed by centrifuge (14,000 rpm at 4 degrees C for 10 min). The resulting supernatant (100 microliters) was removed, added to a low volume autosampler vial and maintained at 4 degrees C until analysis (<22 h).","SAMPLEPREP_PROTOCOL_ID":"HRM_SP_082016_01","SAMPLEPREP_PROTOCOL_FILENAME":"EmoryUniversity_HRM_SP_082016_01.pdf","SAMPLEPREP_PROTOCOL_COMMENTS":"Date effective: 30 July 2016","EXTRACTION_METHOD":"2:1 acetonitrile: sample followed by vortexing and centrifugation"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"The C18 column is operated parallel to the HILIC column for simultaneous analytical separation and column flushing through the use of a dual head HPLC pump equipped with 10-port and 6- port switching valves. During operation of the C18 method, the MS is operated in negative ion mode and 10 μL of sample is injected onto the C18 column while the HILIC column is flushing with wash solution. Flow rate is maintained at 0.4 mL/min until 1.5 min, increased to 0.5 mL/min at 2 min and held for 3 min. Solvent A is 100% LC-MS grade water, solvent B is 100% LC-MS grade acetonitrile and solvent C is 10mM ammonium acetate in LC-MS grade water. Initial mobile phase conditions are 60% A, 35% B, 5% C hold for 0.5 min, with linear gradient to 0% A, 95% B, 5% C at 1.5 min, hold for 3.5 min, resulting in a total analytical run time of 5 min. During the flushing phase (HILIC analytical separation), the C18 column is equilibrated with a wash solution of 0% A, 95% B, 5% C until 2.5 min, followed by an equilibration solution of 60% A, 35% B, 5% C for 2.5 min.","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Q Exactive HF hybrid Orbitrap","COLUMN_NAME":"Thermo Higgins C18 (50 x 2.1mm, 3um) Product #TS-0521-C183; Thermo Accucore C18 guard column with holder, Product #17126-014005","FLOW_GRADIENT":"A= water, B= acetontrile, C= 10mM ammonium acetate in water; 60% A, 35% B, 5% C hold for 0.5 min, linear gradient to 0% A, 95% B, 5% C at 1.5 min, hold for 3 min","FLOW_RATE":"0.4 mL/min for 1.5 min; linear increase to 0.5 mL/min at 2 min held for 3 min","COLUMN_TEMPERATURE":"60C","METHODS_FILENAME":"20160920_negC18120kres5min_ESI_HILICposwash.meth","SOLVENT_A":"LC-MS grade water","SOLVENT_B":"LC-MS grade acetonitrile","METHODS_ID":"10mM ammonium acetate in LC-MS grade water","SAMPLE_INJECTION":"10 uL","ANALYTICAL_TIME":"5 min","SAMPLE_LOOP_SIZE":"15 uL","SAMPLE_SYRINGE_SIZE":"100 uL"},

"ANALYSIS":{"LABORATORY_NAME":"Clinical Biomarkers Laboratory","OPERATOR_NAME":"Vilinh Tran","DETECTOR_TYPE":"Orbitrap","SOFTWARE_VERSION":"Xcalibur 3.0.63","ACQUISITION_DATE":"4/26/2018-5/01/2018","ANALYSIS_PROTOCOL_FILE":"EmoryUniversity_HRM_QEHF-MS_092017_v1.pdf","DATA_FORMAT":"Profile","ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive HF hybrid Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","ACQUISITION_DATE":"4/26/2018-5/01/2018","CAPILLARY_TEMPERATURE":"250C","COLLISION_GAS":"N2","DRY_GAS_FLOW":"45","DRY_GAS_TEMP":"150C","MASS_ACCURACY":"< 3ppm","SPRAY_VOLTAGE":"-4000","ACTIVATION_PARAMETER":"5.00E+05","ACTIVATION_TIME":"118ms","INTERFACE_VOLTAGE":"S-Lens RF level= 55","RESOLUTION_SETTING":"120,000","SCANNING_RANGE":"85-1275","MS_RESULTS_FILE":"ST001039_AN001713_Results.txt UNITS:Peak Area"},

"MS_METABOLITE_DATA":{
"Units":"Peak Area",

"Data":[{"Metabolite":"Oxalic acid","NIST SRM 1950_2a":"8773901","Q-Std Plasma 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Plasma pool_1b_2":"9218345.1","Q-Std Plasma pool_2a_2":"288231.3","chearurine_2a_2":"18204822.4","chearurine_2b_2":"12236459.8","C-1G4L4-U-04_2":"105497036.4","C-1G2Q5-U-01_2":"43995248.7","C-1FYL9-U-04_2":"56990647.7","C-1FZ33-U-01_2":"18093697","C-1G3F8-U-00_2":"27902069","C-1G0U8-U-02_2":"37572721.9","C-1FY18-U-02_2":"158113784.4","C-1G0T0-U-00_2":"95774855.9","C-1FXP1-U-02_2":"42105861.2","C-1GA77-U-01_2":"0","C-1FZN3-U-00_2":"37990531.9","C-1G2V4-U-04_2":"41710176.6","C-1G314-U-02_2":"77364359.4","C-1G5Y4-U-00_2":"91157586.5","C-1G7Y2-U-04_2":"8412605.1","C-1GAY2-U-00_2":"43538858.2","C-1GB50-U-00_2":"10880496.8","C-1GAL1-U-04_2":"76449133.8","C-1G9T1-U-00_2":"68460143","C-1G4D1-U-03_2":"30215969.6","C-1G2Q5-U-04_2":"0","chearurine_2c_2":"12557109.6","chearurine_2d_2":"11497600.9","C-1GB27-U-00_2":"81821.7","C-1G660-U-02_2":"45920597.4","C-1G3U5-U-01_2":"38237988.7","C-1G8D7-U-03_2":"32438703.9","C-1G2L6-U-03_2":"0","C-1G389-U-04_2":"50866908.8","C-1G8G1-U-04_2":"0","C-1G5M1-U-00_2":"103705938.1","C-1G4U4-U-01_2":"0","C-1G4L4-U-02_2":"25064156.6","C-1G520-U-04_2":"0","C-1G1M5-U-02_2":"49893129","C-1GB43-U-03_2":"17901561.3","C-1G2A0-U-03_2":"18445583.4","C-1FY26-U-04_2":"77645467","C-1G4Y5-U-00_2":"0","C-1G5C3-U-02_2":"0","C-1FZH7-U-00_2":"53318006.2","C-1FWY2-U-00_2":"72064144.1","C-1G1L7-U-00_2":"51211117","C-1G603-U-00_2":"0","C-1G322-U-03_2":"78710992.8","chearurine_2e_2":"0","chearurine_2f_2":"0","Q-Std Plasma pool_2b_2":"0","Q-Std Plasma pool_3a_2":"14009008.5","chearurine_3a_2":"17829609.1","chearurine_3b_2":"19984081","C-1G2K8-U-00_2":"26472953","C-1G5W9-U-01_2":"7109143","C-1G546-U-00_2":"19408001.9","C-1G1U7-U-02_2":"47577408","C-1G264-U-03_2":"1605693.2","C-1G4S8-U-03_2":"29832420.2","C-1G5N8-U-00_2":"66662057.6","C-1FZ58-U-02_2":"53644204.6","C-1G5H2-U-01_2":"10278757.7","C-1G736-U-04_2":"29993844.1","C-1G439-U-00_2":"13554857.9","C-1G983-U-04_2":"2579252","C-1G6D9-U-03_2":"8934875.3","C-1FX35-U-00_2":"45260712.7","C-1FXK2-U-02_2":"17373361.1","C-1FYE4-U-03_2":"21583684.8","C-1GAS5-U-03_2":"18305499.1","C-1G3G6-U-02_2":"49242254.6","C-1G0F1-U-00_2":"32363378.4","C-1G9D6-U-03_2":"48047971.2","chearurine_3c_2":"15734801","chearurine_3d_2":"15229386.4","C-1G611-U-01_2":"24568834.3","C-1G1D4-U-04_2":"23609831","C-1GBD7-U-00_2":"55202423.3","C-1FZ17-U-00_2":"27055839.9","C-1G0W4-U-00_2":"92243068.7","C-1G645-U-01_2":"144374375.7","C-1G892-U-00_2":"97940148.3","C-1G6N7-U-03_2":"78943197","C-1FX19-U-04_2":"18239210.6","C-1G1F0-U-00_2":"30511149.9","C-1GA77-U-00_2":"6072093.6","C-1FZ66-U-00_2":"4359122.3","C-1G025-U-02_2":"22244460.6","C-1FYB1-U-03_2":"67386361.5","C-1GB27-U-01_2":"38124423.4","C-1FYQ8-U-03_2":"22862544.2","C-1GAH0-U-00_2":"2734240.2","C-1FZG9-U-00_2":"144627586.1","C-1G1V5-U-04_2":"13661572.8","C-1G231-U-02_2":"169002854.1","chearurine_3e_2":"10836470.2","chearurine_3f_2":"10021680.9","Q-Std Plasma pool_3b_2":"6867233.1","Q-Std Plasma 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acid","chemical_ID":"HMDB02212","Adduct":"M-H","InChiKey":"InChIKey=VKOBVWXKNCXXDE-UHFFFAOYSA-N","quantified m/z":"311.2956","times":"300","MSI_confidence (1-4)":"1"},{"Metabolite":"Docosahexaenoic acid","chemical_ID":"HMDB02183","Adduct":"M-H","InChiKey":"InChIKey=MBMBGCFOFBJSGT-KUBAVDMBSA-N","quantified m/z":"327.2331","times":"233.7","MSI_confidence (1-4)":"1"},{"Metabolite":"Cyclic AMP","chemical_ID":"HMDB00058","Adduct":"M-H","InChiKey":"InChIKey=IVOMOUWHDPKRLL-KQYNXXCUSA-N","quantified m/z":"328.0446","times":"21.6","MSI_confidence (1-4)":"1"},{"Metabolite":"Cortisol","chemical_ID":"HMDB00063","Adduct":"M-H","InChiKey":"InChIKey=JYGXADMDTFJGBT-CZFMHFDVSA-N","quantified m/z":"361.2027","times":"60.5","MSI_confidence (1-4)":"1"},{"Metabolite":"Tetrahydrocortisol","chemical_ID":"HMDB00949","Adduct":"M-H","InChiKey":"InChIKey=AODPIQQILQLWGS-OBRSLYEHSA-N","quantified m/z":"365.2336","times":"66.5","MSI_confidence (1-4)":"1"},{"Metabolite":"Glycocholic acid","chemical_ID":"HMDB00138","Adduct":"M-H","InChiKey":"InChIKey=RFDAIACWWDREDC-MZMBZMQMSA-N","quantified m/z":"464.3018","times":"41.9","MSI_confidence (1-4)":"1"}]
}

}