{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002016","ANALYSIS_ID":"AN003284","VERSION":"1","CREATED_ON":"December 14, 2021, 1:36 pm"},
"PROJECT":{"PROJECT_TITLE":"Leveraging Untargeted Metabolomics and Metabolic Modeling to Identify Functional Metabolic Alterations Associated with COVID-19 Disease Severity","PROJECT_TYPE":"Untargeted Metabolomics (UPLC-MS/MS)","PROJECT_SUMMARY":"Untargeted metabolomics of COVID patients","INSTITUTE":"University of Virginia","DEPARTMENT":"Department of Biochemistry & Molecular Genetics; School of Medicine Core Facilities; Department of Microbiology, Immunology, and Cancer Biology; Department of Biomedical Engineering","LABORATORY":"Biomolecular Analysis Facility, Univ of Virginia School of Medicine","LAST_NAME":"Wase","FIRST_NAME":"Nishikant","ADDRESS":"Biomolecular Analysis Facility","EMAIL":"nw5es@virginia.edu","PHONE":"4023109931"},
"STUDY":{"STUDY_TITLE":"Metabolomics of COVID patients","STUDY_TYPE":"Untargeted Metabolomics","STUDY_SUMMARY":"Untargeted metabolite analysis was performed on a Thermo Orbitrap IDX Tribrid MS to understand changes in metabolites due to COVID severity.","INSTITUTE":"University of Virginia","DEPARTMENT":"1Department of Biochemistry & Molecular Genetics; School of Medicine Core Facilities; Department of Microbiology, Immunology, and Cancer Biology; Department of Biomedical Engineering","LABORATORY":"Biomolecular Analysis Facility, Univ of Virginia School of Medicine","LAST_NAME":"Wase","FIRST_NAME":"Nishikant","ADDRESS":"Biomolecular Analysis Facility, Pinn Hall Room No 1105B","EMAIL":"nw5es@virginia.edu","PHONE":"4023109931","NUM_GROUPS":"6","TOTAL_SUBJECTS":"140"},
"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
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{
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{
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"Sample ID":"Pat_01_POS",
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{
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"Sample ID":"Pat_02_POS",
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},
{
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"Factors":{"group":"COVID_non-acute"},
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},
{
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"Factors":{"group":"COVID_non-acute"},
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},
{
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{
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{
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{
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"Sample ID":"Pat_08_POS",
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{
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"Sample ID":"Pat_09_POS",
"Factors":{"group":"Healthy"},
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"Factors":{"group":"Healthy"},
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"Factors":{"group":"COVID_ICU-no vent"},
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{
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"Factors":{"group":"Healthy"},
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{
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{
"Subject ID":"-",
"Sample ID":"Pat_11_POS",
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{
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"Sample ID":"Pat_110_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_110_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"QC12_POS",
"Factors":{"group":"QC"},
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},
{
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"Sample ID":"Pat_111_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_111_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_112_POS",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_112_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_113_POS",
"Factors":{"group":"COVID_before_ventilator"},
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},
{
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"Sample ID":"Pat_114_POS",
"Factors":{"group":"COVID_ventilator"},
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},
{
"Subject ID":"-",
"Sample ID":"Pat_115_POS",
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"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_115_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
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{
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"Sample ID":"Pat_116_POS",
"Factors":{"group":"COVID_ventilator"},
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"Factors":{"group":"COVID_ICU-no vent"},
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"Factors":{"group":"COVID_ventilator"},
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"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_119_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
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"Sample ID":"Pat_12_POS",
"Factors":{"group":"Healthy"},
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{
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"Factors":{"group":"COVID_ventilator"},
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{
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},
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},
{
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"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_122_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
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{
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"Sample ID":"Pat_123_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_123_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
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"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_124_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
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{
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"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_125_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
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"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_126_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
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"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_127_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
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"Factors":{"group":"COVID_ventilator"},
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},
{
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{
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{
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},
{
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},
{
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},
{
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{
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{
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},
{
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},
{
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},
{
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},
{
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},
{
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},
{
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},
{
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},
{
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},
{
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},
{
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},
{
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"Factors":{"group":"COVID_undecided"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_30_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
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},
{
"Subject ID":"-",
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"Factors":{"group":"COVID_before_ventilator"},
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},
{
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"Factors":{"group":"COVID_non-acute"},
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},
{
"Subject ID":"-",
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},
{
"Subject ID":"-",
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"Factors":{"group":"Healthy"},
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},
{
"Subject ID":"-",
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"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_35_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_36_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_36_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_37_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_37_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_38_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_38_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_39_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_39_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_40_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_40_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"QC5_POS",
"Factors":{"group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_QC5_POS","SampleType":"QC","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_41_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_41_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_42_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_42_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_43_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_43_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_44_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_44_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_45_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_45_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_46_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_46_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_47_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_47_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_48_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_48_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_49_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_49_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_50_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_50_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_51_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_51_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"QC6_POS",
"Factors":{"group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_QC6_POS","SampleType":"QC","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_52_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_52_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_53_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_53_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_54_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_54_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_55_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_55_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_56_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_56_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_57_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_57_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_58_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_58_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_59_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_59_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_60_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_60_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"QC7_POS",
"Factors":{"group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_QC7_POS","SampleType":"QC","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_61_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_61_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_62_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_62_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_63_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_63_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_64_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_64_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_65_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_65_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_66_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_66_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_67_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_67_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_68_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_68_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_69_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_69_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_70_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_70_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"QC8_POS",
"Factors":{"group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_QC8_POS","SampleType":"QC","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_71_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_71_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_72_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_72_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_73_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_73_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_74_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_74_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_75_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_75_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_76_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_76_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_77_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_77_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_78_POS",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_78_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_79_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_79_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_80_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_80_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"QC9_POS",
"Factors":{"group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_QC9_POS","SampleType":"QC","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_81_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_81_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_82_POS",
"Factors":{"group":"COVID_ICU-no vent"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_82_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_83_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_83_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_84_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_84_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_85_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_85_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_86_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_86_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_87_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_87_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_88_POS",
"Factors":{"group":"COVID_before_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_88_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_89_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_89_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_90_POS",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_90_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"QC10_POS",
"Factors":{"group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_QC10_POS","SampleType":"QC","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_91_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_91_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_92_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_92_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_93_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_93_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_94_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_94_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_95_POS",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_95_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_96_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_96_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_97_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_97_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_98_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_98_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_99_POS",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_99_POS","SampleType":"Unknown","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"QC11_POS",
"Factors":{"group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_QC11_POS","SampleType":"QC","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_QC_ID_01_POS",
"Factors":{"group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC_ID_01_POS","SampleType":"Identification ddMS2","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_QC_ID_02_POS",
"Factors":{"group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC_ID_02_POS","SampleType":"Identification ddMS2","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_QC_ID_03_POS",
"Factors":{"group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC_ID_03_POS","SampleType":"Identification ddMS2","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_QC_ID_04_POS",
"Factors":{"group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC_ID_04_POS","SampleType":"Identification ddMS2","Acquisation_mode":"Positive"}
},
{
"Subject ID":"-",
"Sample ID":"Blank_01_NEG",
"Factors":{"group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Blank_01_NEG","SampleType":"Blank","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Blank_02_NEG",
"Factors":{"group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Blank_02_NEG","SampleType":"Blank","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"QC1_NEG",
"Factors":{"group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_QC1_NEG","SampleType":"QC","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_01_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_01_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_02_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_02_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_03_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_03_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_04_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_04_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_05_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_05_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_06_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_06_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_07_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_07_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_08_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_08_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_09_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_09_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_10_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_10_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"QC2_NEG",
"Factors":{"group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_QC2_NEG","SampleType":"QC","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_100_NEG",
"Factors":{"group":"COVID_ICU-no vent"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_100_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_101_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_101_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_102_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_102_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_103_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_103_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_104_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_104_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_105_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_105_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_106_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_106_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_107_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_107_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_108_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_108_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_109_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_109_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_11_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_11_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_110_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_110_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"QC12_NEG",
"Factors":{"group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_QC12_NEG","SampleType":"QC","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_111_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_111_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_112_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_112_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_113_NEG",
"Factors":{"group":"COVID_before_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_113_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_114_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_114_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_115_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_115_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_116_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_116_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_117_NEG",
"Factors":{"group":"COVID_ICU-no vent"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_117_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_118_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_118_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_119_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_119_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_12_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_12_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_120_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_120_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"QC13_NEG",
"Factors":{"group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_QC13_NEG","SampleType":"QC","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_121_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_121_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_122_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_122_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_123_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_123_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_124_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_124_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_125_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_125_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_126_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_126_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_127_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_127_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_128_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_128_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_129_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_129_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_13_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_13_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_130_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_130_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"QC14_NEG",
"Factors":{"group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_QC14_NEG","SampleType":"QC","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_131_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_131_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_132_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_132_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_133_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_133_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_134_NEG",
"Factors":{"group":"COVID_before_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_134_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_135_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_135_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_136_NEG",
"Factors":{"group":"COVID_undecided"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_136_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_137_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_137_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_138_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_138_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_139_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_139_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_14_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_14_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_140_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_140_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"QC15_NEG",
"Factors":{"group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_QC15_NEG","SampleType":"QC","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_15_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_15_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_16_NEG",
"Factors":{"group":"COVID_ICU-no vent"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_16_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_17_NEG",
"Factors":{"group":"COVID_before_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_17_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_18_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_18_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_19_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_19_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_20_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_20_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"QC3_NEG",
"Factors":{"group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_QC3_NEG","SampleType":"QC","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_21_NEG",
"Factors":{"group":"COVID_before_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_21_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_22_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_22_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_23_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_23_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_24_NEG",
"Factors":{"group":"COVID_undecided"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_24_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_25_NEG",
"Factors":{"group":"COVID_before_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_25_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_26_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_26_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_27_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_27_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_28_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_28_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_29_NEG",
"Factors":{"group":"COVID_undecided"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_29_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_30_NEG",
"Factors":{"group":"COVID_undecided"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_30_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"QC4_NEG",
"Factors":{"group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_QC4_NEG","SampleType":"QC","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_31_NEG",
"Factors":{"group":"COVID_before_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_31_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_32_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_32_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_33_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_33_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_34_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_34_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_35_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_35_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_36_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_36_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_37_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_37_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_38_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_38_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_39_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_39_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_40_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_40_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"QC5_NEG",
"Factors":{"group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_QC5_NEG","SampleType":"QC","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_41_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_41_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_42_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_42_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_43_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_43_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_44_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_44_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_45_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_45_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_46_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_46_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_47_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_47_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_48_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_48_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_49_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_49_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_50_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_50_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_51_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_51_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"QC6_NEG",
"Factors":{"group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_QC6_NEG","SampleType":"QC","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_52_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_52_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_53_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_53_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_54_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_54_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_55_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_55_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_56_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_56_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_57_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_57_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_58_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_58_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_59_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_59_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_60_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_60_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"QC7_NEG",
"Factors":{"group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_QC7_NEG","SampleType":"QC","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_61_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_61_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_62_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_62_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_63_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_63_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_64_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_64_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_65_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_65_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_66_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_66_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_67_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_67_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_68_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_68_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_69_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_69_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_70_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_70_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"QC8_NEG",
"Factors":{"group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_QC8_NEG","SampleType":"QC","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_71_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_71_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_72_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_72_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_73_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_73_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_74_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_74_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_75_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_75_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_76_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_76_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_77_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_77_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_78_NEG",
"Factors":{"group":"Healthy"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_78_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_79_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_79_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_80_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_80_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"QC9_NEG",
"Factors":{"group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_QC9_NEG","SampleType":"QC","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_81_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_81_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_82_NEG",
"Factors":{"group":"COVID_ICU-no vent"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_82_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_83_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_83_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_84_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_84_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_85_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_85_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_86_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_86_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_87_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_87_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_88_NEG",
"Factors":{"group":"COVID_before_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_88_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_89_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_89_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_90_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_90_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"QC10_NEG",
"Factors":{"group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_QC10_NEG","SampleType":"QC","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_91_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_91_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_92_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_92_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_93_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_93_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_94_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_94_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_95_NEG",
"Factors":{"group":"COVID_ventilator"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_95_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_96_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_96_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_97_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_97_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_98_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_98_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pat_99_NEG",
"Factors":{"group":"COVID_non-acute"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_Pat_99_NEG","SampleType":"Unknown","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"QC11_NEG",
"Factors":{"group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"x200708x_QC11_NEG","SampleType":"QC","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_QC_ID_01_NEG",
"Factors":{"group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC_ID_01_NEG","SampleType":"Identification ddMS2","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_QC_ID_02_NEG",
"Factors":{"group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC_ID_02_NEG","SampleType":"Identification ddMS2","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_QC_ID_03_NEG",
"Factors":{"group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC_ID_03_NEG","SampleType":"Identification ddMS2","Acquisation_mode":"Negative"}
},
{
"Subject ID":"-",
"Sample ID":"Pooled_QC_ID_04_NEG",
"Factors":{"group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Pooled_QC_ID_04_NEG","SampleType":"Identification ddMS2","Acquisation_mode":"Negative"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Blood samples were collected in EDTA tubes from 84 adult patients who tested positive by PCR for SARS-CoV2 at the University of Virginia hospital between April and June 2020. Plasma prepared from the blood was stored at -70oC. A total of 48 of the samples were from out-patients and categorized as non-severe COVID-19, while 36 samples were categorized as severe COVID-19 based on the need for hospitalization and in some cases ICU and ventilator requirements (four and 25, respectively)","SAMPLE_TYPE":"Blood (plasma)","COLLECTION_METHOD":"EDTA Tubes","STORAGE_CONDITIONS":"Described in summary"},
"TREATMENT":{"TREATMENT_SUMMARY":"NA"},
"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"plasma samples were thawed on ice and 50 µL of plasma was retained for the metabolome analysis. Approximately 200 µL of cold methanol was added to the plasma sample and shaken vigorously to inactivate any potential viruses. The samples were stored in -80 ºC immediately until extraction for metabolomics experiments. For extraction, 200 µL of cold methanol was added to each tube, vortexed and shaken vigorously for 30 min at 4 ºC in a temperature controlled thermal shaker. Further 200 µL of chloroform and 400 µL of water were added, shaken vigorously and the top aqueous phase was recovered as a metabolite mixture of diverse chemical nature. Each metabolite extract was dried overnight in speedVac and reconstituted in 60 µL of 0.1% formic acid in water. Ten microliters from each tube were removed to create a pooled QC sample that was injected at the beginning and end of the MS sequence run and additional QC samples were injected after every 10 sample injections.","PROCESSING_STORAGE_CONDITIONS":"Described in summary","EXTRACTION_METHOD":"Described above","EXTRACT_STORAGE":"Described in summary","SAMPLE_RESUSPENSION":"0.1% formic acid"},
"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Samples were injected in randomized fashion via a Thermo Vanquish UHPLC and separation of the polar metabolites was achieved using Thermo Accucore C18 column (Thermo Scientific; 2.1 x 100 mm; 1.5 µm) maintained at 30 °C. The injection volume was 10 µL. For the 15-minute gradient, the standard mobile phase for RPLC was A = 0.1% formic acid in water and B = 0.1% formic acid in methanol. The linear elution gradient was as follows: 0-8.0 minutes at 50% B, 8.0 – 13.0 minutes held at 98% B, 13.1 to 15.0 minutes revert to 0% B to re-equilibration for next injection at a flow rate of 0.25 mL/min.","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Vanquish","COLUMN_NAME":"Thermo Accucore C18 (100 2.1mm, 2.6um)","FLOW_GRADIENT":"0-8 minutes 50% B, 8 – 13 minutes held at 98% B, 13.1 to 15.0 minutes revert to 0% B to re-equilibration for next injection","FLOW_RATE":"0.25 mL/min","COLUMN_TEMPERATURE":"30C","SOLVENT_A":"0.1% Formic acid in water","SOLVENT_B":"0.1% Formic acid in Methanol"},
"ANALYSIS":{"ANALYSIS_TYPE":"MS"},
"MS":{"INSTRUMENT_NAME":"Thermo Orbitrap ID-X tribrid","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"HESI) source was operated at 3.5 kV and 2.5kV for positive and negative modes, respectively. Ion source sheath gas was set at 35 and auxiliary gas at 7. Ion transfer tube temperature was maintained at 275 °C while vaporizer temperature was maintained at 320 °C. The instrument was set to acquire over the m/z range 67-1000, in full MS mode (1 µscan) at a resolution of 60,000 at a normalized AGC Target of 25% and 50 milliseconds of maximum injection time was allowed. RF lens amplitude was set at 35%. Tandem MS/MS performed by applying quadrupole isolation with an isolation window of 1.6 m/z. Activation type was set at HCD and masses were fragmented with HCD Assisted Collision Energy (%) of 15,35,50. Fragment masses were detected by Orbitrap at a resolution of 15,000."},
"MS_METABOLITE_DATA":{
"Units":"intensity",
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ester","Blank_01_POS":"2738388.202","Pat_17_POS":"1395608.923","Pat_21_POS":"1282274.048","Pat_25_POS":"5567625.526","Pat_31_POS":"1344346.678","Pat_88_POS":"6937657.837","Pat_113_POS":"18609094.51","Pat_134_POS":"35056618.72","Pat_16_POS":"1114049.375","Pat_82_POS":"8059687.951","Pat_100_POS":"5836495.483","Pat_117_POS":"27615520.28","Pat_01_POS":"680884.8979","Pat_03_POS":"461061.5812","Pat_04_POS":"1168101.047","Pat_15_POS":"1477755.967","Pat_20_POS":"1041495.847","Pat_22_POS":"3998536.349","Pat_23_POS":"6339153.115","Pat_26_POS":"149653694.8","Pat_27_POS":"12353917.44","Pat_28_POS":"5289842.627","Pat_32_POS":"5288931.922","Pat_71_POS":"6286951.454","Pat_72_POS":"8004000.542","Pat_73_POS":"4423772.455","Pat_74_POS":"368206258.5","Pat_75_POS":"2781892.914","Pat_76_POS":"1345664.485","Pat_77_POS":"3448838.595","Pat_79_POS":"6243828.042","Pat_80_POS":"7942468.393","Pat_81_POS":"9841129.408","Pat_83_POS":"193618484.8","Pat_84_POS":"894482662.6","Pat_85_POS":"437135.2672","Pat_86_POS":"2126707.363","Pat_87_POS":"2419425.225","Pat_89_POS":"5740288.24","Pat_91_POS":"5459737.726","Pat_92_POS":"6074845.906","Pat_93_POS":"5304399.687","Pat_94_POS":"1547961.058","Pat_96_POS":"729446.3116","Pat_97_POS":"5790901.342","Pat_98_POS":"4494204.245","Pat_99_POS":"6744733.621","Pat_101_POS":"3955514.152","Pat_106_POS":"5738034.805","Pat_109_POS":"40094582.31","Pat_110_POS":"16228164.44","Pat_111_POS":"82079849.02","Pat_115_POS":"21879078.13","Pat_121_POS":"15744404.28","Pat_123_POS":"25598408.97","Pat_130_POS":"7035014.821","Pat_131_POS":"13408486.71","Pat_132_POS":"5956703.235","Pat_133_POS":"27996183.49","Pat_135_POS":"15003922.78","Pat_24_POS":"3718396.244","Pat_29_POS":"4279083.571","Pat_30_POS":"7309910.948","Pat_136_POS":"6341498.872","Pat_18_POS":"1019001.029","Pat_19_POS":"1147729.781","Pat_90_POS":"9149576.431","Pat_95_POS":"1575273.305","Pat_102_POS":"3350699.599","Pat_103_POS":"5299218.814","Pat_104_POS":"9340223.199","Pat_105_POS":"7697506.941","Pat_112_POS":"15937933.21","Pat_114_POS":"13922542.99","Pat_116_POS":"31553740.57","Pat_118_POS":"22820835.65","Pat_119_POS":"17496495.25","Pat_120_POS":"23859824.58","Pat_122_POS":"26129516.55","Pat_124_POS":"8490675.05","Pat_125_POS":"17044516.35","Pat_126_POS":"23364691.9","Pat_127_POS":"4908765.432","Pat_128_POS":"9492277.294","Pat_129_POS":"3642959.368","Pat_137_POS":"11601595.05","Pat_138_POS":"7571580.243","Pat_139_POS":"9843564.214","Pat_140_POS":"12193494.24","Pat_02_POS":"1125574.082","Pat_05_POS":"598006.6018","Pat_06_POS":"832708.4635","Pat_07_POS":"1097274.116","Pat_08_POS":"1227950.015","Pat_09_POS":"1492524.239","Pat_10_POS":"1218985.316","Pat_11_POS":"1130406.688","Pat_12_POS":"1385712.737","Pat_13_POS":"1018023.322","Pat_14_POS":"1160198.449","Pat_33_POS":"7405063.924","Pat_34_POS":"9122975.888","Pat_35_POS":"7159618.498","Pat_36_POS":"7717544.027","Pat_37_POS":"6276369.264","Pat_38_POS":"8326953.361","Pat_39_POS":"8410964.905","Pat_40_POS":"1295166.575","Pat_41_POS":"4144767.649","Pat_42_POS":"6142104.791","Pat_43_POS":"43788471.54","Pat_44_POS":"3838086.849","Pat_45_POS":"5066466.322","Pat_46_POS":"7125329.04","Pat_47_POS":"7982420.739","Pat_48_POS":"8736947.421","Pat_49_POS":"1842952.717","Pat_50_POS":"2697796.286","Pat_51_POS":"10396495.87","Pat_52_POS":"7495103.585","Pat_53_POS":"6444769.374","Pat_54_POS":"7179042.286","Pat_55_POS":"8058744.684","Pat_56_POS":"20004998.46","Pat_57_POS":"2699395.045","Pat_58_POS":"1013702.556","Pat_59_POS":"3048469.576","Pat_60_POS":"6744344.87","Pat_61_POS":"4926904.772","Pat_62_POS":"4591938.205","Pat_63_POS":"2899808.211","Pat_64_POS":"6910339.746","Pat_65_POS":"8763920.731","Pat_66_POS":"8255426.172","Pat_67_POS":"2259944.682","Pat_68_POS":"4313278.244","Pat_69_POS":"9857387.508","Pat_70_POS":"2670785.134","Pat_78_POS":"4491116.038","Pat_107_POS":"8386585.224","Pat_108_POS":"7890289.223","Blank_02_POS":"2738388.202","QC1_POS":"21773051.58","QC2_POS":"28818257.46","QC3_POS":"30684409.46","QC4_POS":"27179451.07","QC5_POS":"22600248.22","QC6_POS":"20297645.64","QC7_POS":"19407375.24","QC8_POS":"20920344.63","QC9_POS":"16271097.08","QC10_POS":"13335816.36","QC11_POS":"20621757.77","QC12_POS":"23405513.48","QC13_POS":"12880681.16","QC14_POS":"18118648.18","QC15_POS":"20980810.76"}],
"Metabolites":[{"Metabolite":"(-)-Medicarpin","Formula":"C16 H14 O4","Molecular Weight":"270.08549","RT [min]":"3.198"},{"Metabolite":"(-)-trans-Carveol","Formula":"C10 H16 O","Molecular Weight":"152.1202","RT [min]":"5.872"},{"Metabolite":"(1-Ribosylimidazole)-4-acetate","Formula":"C10 H14 N2 O6","Molecular Weight":"258.08528","RT [min]":"1.183"},{"Metabolite":"(1S,2R)-3-(4-Chlorophenyl)-3,5-cyclohexadiene-1,2-diol","Formula":"C12 H11 Cl O2","Molecular Weight":"222.04488","RT [min]":"4.22"},{"Metabolite":"(1Z,5Z)-1,5-Cyclooctadiene","Formula":"C8 H12","Molecular Weight":"108.09406","RT [min]":"9.18"},{"Metabolite":"(24R_24'R)-Fucosterolepoxide","Formula":"C29 H48 O2","Molecular Weight":"428.36534","RT [min]":"12.92"},{"Metabolite":"(2E)-hexadecenoylcarnitine","Formula":"C23 H43 N O4","Molecular Weight":"397.3191","RT [min]":"10.377"},{"Metabolite":"(2S)-2-Amino-8-hydroxyoctanoic acid","Formula":"C8 H17 N O3","Molecular Weight":"175.12095","RT [min]":"1.129"},{"Metabolite":"(2Z)-4-(Octadecyloxy)-4-oxo-2-butenoic acid","Formula":"C22 H40 O4","Molecular Weight":"368.29231","RT [min]":"11.537"},{"Metabolite":"(4E)-1,7-Bis(4-hydroxyphenyl)-4-hepten-3-one","Formula":"C19 H20 O3","Molecular Weight":"318.12922","RT [min]":"5.448"},{"Metabolite":"(4E)-2-Oxohexenoic acid","Formula":"C6 H8 O3","Molecular Weight":"128.0475","RT [min]":"4.684"},{"Metabolite":"(4S)-4-[(2E)-2-Octenoyloxy]-4-(trimethylammonio)butanoate","Formula":"C15 H27 N O4","Molecular Weight":"285.1943","RT [min]":"7.815"},{"Metabolite":"(5alpha,6beta)-3-Hydroxy-17-methyl-4,5-epoxymorphinan-6-yl beta-L-glucopyranosiduronic acid","Formula":"C23 H29 N O9","Molecular Weight":"463.18419","RT [min]":"2.98"},{"Metabolite":"(Carbamoylamino)(4-hydroxyphenyl)acetic acid","Formula":"C9 H10 N2 O4","Molecular Weight":"210.06424","RT [min]":"3.636"},{"Metabolite":"(E)-3,4,5-Trimethoxycinnamic acid","Formula":"C12 H14 O5","Molecular Weight":"238.08422","RT [min]":"8.605"},{"Metabolite":"(R)-3-hydroxybutyrylcarnitine","Formula":"C11 H21 N O5","Molecular Weight":"247.14208","RT [min]":"1.947"},{"Metabolite":"(R)-Coclaurine","Formula":"C17 H19 N O3","Molecular Weight":"285.13683","RT [min]":"3.36"},{"Metabolite":"(S)-4-Amino-5-oxopentanoate","Formula":"C5 H9 N O3","Molecular Weight":"131.05835","RT [min]":"1.698"},{"Metabolite":"(Z)-Thiamethoxam","Formula":"C8 H10 Cl N5 O3 S","Molecular Weight":"291.02502","RT [min]":"3.795"},{"Metabolite":"1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine","Formula":"C24 H50 N O6 P","Molecular Weight":"479.33724","RT [min]":"12.057"},{"Metabolite":"1-(beta-D-Ribofuranosyl)-1_4-dihydronicotinamide","Formula":"C11 H16 N2 O5","Molecular Weight":"256.10603","RT [min]":"2.933"},{"Metabolite":"1,3,5-Heptatriene","Formula":"C7 H10","Molecular Weight":"94.07843","RT [min]":"4.243"},{"Metabolite":"1,3-Dicyclohexylurea","Formula":"C13 H24 N2 O","Molecular Weight":"224.18886","RT [min]":"10.317"},{"Metabolite":"1,5-DAN","Formula":"C10 H10 N2","Molecular Weight":"158.08446","RT [min]":"4.385"},{"Metabolite":"1,7-Dimethyluric acid","Formula":"C7 H8 N4 O3","Molecular Weight":"196.05974","RT [min]":"4.851"},{"Metabolite":"1-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine","Formula":"C24 H48 N O7 P","Molecular Weight":"493.31671","RT [min]":"11.377"},{"Metabolite":"10-Hydroxycarbazepine","Formula":"C15 H14 N2 O2","Molecular Weight":"254.10558","RT [min]":"9.874"},{"Metabolite":"11-Aminoundecanoic acid","Formula":"C11 H23 N O2","Molecular Weight":"201.17305","RT [min]":"1.718"},{"Metabolite":"11-Nitro-1-undecene","Formula":"C11 H21 N O2","Molecular Weight":"199.15724","RT [min]":"9.853"},{"Metabolite":"12-Aminododecanoic acid","Formula":"C12 H25 N O2","Molecular Weight":"215.18856","RT [min]":"10.169"},{"Metabolite":"12-Hydroxydihydrochelirubine","Formula":"C21 H17 N O6","Molecular Weight":"379.10536","RT [min]":"5.961"},{"Metabolite":"15-Crown-5","Formula":"C10 H20 O5","Molecular Weight":"220.13117","RT [min]":"5.594"},{"Metabolite":"1-Aminocyclopropane-1-carboxylate","Formula":"C4 H7 N O2","Molecular Weight":"101.04793","RT [min]":"0.979"},{"Metabolite":"1-arachidonoyl-sn-glycero-3-phosphocholine","Formula":"C28 H50 N O7 P","Molecular Weight":"543.33247","RT [min]":"11.38"},{"Metabolite":"1-heptadecanoyl-sn-glycero-3-phosphocholine","Formula":"C25 H52 N O7 P","Molecular Weight":"509.34781","RT [min]":"12.15"},{"Metabolite":"1-Hexadecanoylpyrrolidine","Formula":"C20 H39 N O","Molecular Weight":"309.30312","RT [min]":"11.49"},{"Metabolite":"1-Linoleoylglycerophosphocholine","Formula":"C26 H50 N O7 P","Molecular Weight":"519.33236","RT [min]":"11.493"},{"Metabolite":"1-Methyladenosine","Formula":"C11 H15 N5 O4","Molecular Weight":"281.11269","RT [min]":"1.943"},{"Metabolite":"1-Methylhistidine","Formula":"C7 H11 N3 O2","Molecular Weight":"169.08521","RT [min]":"0.946"},{"Metabolite":"1-Methylpyrrolinium","Formula":"C5 H9 N","Molecular Weight":"83.07375","RT [min]":"1.078"},{"Metabolite":"1-Methyluric acid","Formula":"C6 H6 N4 O3","Molecular Weight":"182.04402","RT [min]":"3.309"},{"Metabolite":"1-Methylxanthine","Formula":"C6 H6 N4 O2","Molecular Weight":"166.04922","RT [min]":"3.474"},{"Metabolite":"1-Oleoylglycerophosphocholine","Formula":"C26 H52 N O7 P","Molecular Weight":"521.34799","RT [min]":"11.892"},{"Metabolite":"1-Palmitoyl-2-hydroxy-sn-glycero-3-PE","Formula":"C21 H44 N O7 P","Molecular Weight":"453.28528","RT [min]":"11.029"},{"Metabolite":"1-palmitoylglycerol;MAG(16:0)","Formula":"C19 H38 O4","Molecular Weight":"330.27686","RT [min]":"11.078"},{"Metabolite":"1-Palmitoylglycerophosphocholine","Formula":"C24 H50 N O7 P","Molecular Weight":"495.33235","RT [min]":"11.831"},{"Metabolite":"1-Pyrroline","Formula":"C4 H7 N","Molecular Weight":"69.05809","RT [min]":"1.02"},{"Metabolite":"1-Pyrroline-2-carboxylate","Formula":"C5 H7 N O2","Molecular Weight":"113.04786","RT [min]":"5.478"},{"Metabolite":"1-Stearoylglycerol","Formula":"C21 H42 O4","Molecular Weight":"358.3081","RT [min]":"11.539"},{"Metabolite":"1-stearoyl-sn-glycero-3-phosphoethanolamine","Formula":"C23 H48 N O7 P","Molecular Weight":"481.31666","RT [min]":"11.538"},{"Metabolite":"1-Tetradecylamine","Formula":"C14 H31 N","Molecular Weight":"213.24573","RT [min]":"10.212"},{"Metabolite":"2-(4-Hydroxyphenyl)ethanol(Tyrosol)","Formula":"C8 H10 O2","Molecular Weight":"138.06811","RT [min]":"6.257"},{"Metabolite":"2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol","Formula":"C13 H20 Cl N O","Molecular Weight":"241.12364","RT [min]":"7.756"},{"Metabolite":"2,2-Dichloro-1,1-ethanediol","Formula":"C2 H4 Cl2 O2","Molecular Weight":"129.95803","RT [min]":"14.446"},{"Metabolite":"2,2'-Iminodipropan-1-ol","Formula":"C6 H15 N O2","Molecular Weight":"133.11041","RT [min]":"1.095"},{"Metabolite":"2,3,4,9-Tetrahydro-1H-β-carboline-3-carboxylic acid","Formula":"C12 H12 N2 O2","Molecular Weight":"216.09007","RT [min]":"5.14"},{"Metabolite":"2,3-DIMETHYL-5-NITROINDOLE","Formula":"C10 H10 N2 O2","Molecular Weight":"190.07419","RT [min]":"3.996"},{"Metabolite":"2_2'-Iminodipropanoate","Formula":"C6 H11 N O4","Molecular Weight":"161.06889","RT [min]":"1.495"},{"Metabolite":"2_3_4_5-Tetrahydropyridine-2-carboxylate","Formula":"C6 H9 N O2","Molecular Weight":"127.06347","RT [min]":"5.484"},{"Metabolite":"2_3-Dimethylmaleate","Formula":"C6 H8 O4","Molecular Weight":"144.03995","RT [min]":"0.946"},{"Metabolite":"2_4-Dinitrophenylhydrazine","Formula":"C6 H6 N4 O4","Molecular Weight":"198.039","RT [min]":"3.311"},{"Metabolite":"2_6-Dihydroxypseudooxynicotine","Formula":"C10 H14 N2 O3","Molecular Weight":"210.1006","RT [min]":"3.494"},{"Metabolite":"2-Acetolactate","Formula":"C5 H8 O4","Molecular Weight":"132.04245","RT [min]":"1.014"},{"Metabolite":"2-Aminoacetophenone;O-Acetylaniline","Formula":"C8 H9 N O","Molecular Weight":"135.06845","RT [min]":"5.563"},{"Metabolite":"2-Arachidonoyl glycerol","Formula":"C23 H38 O4","Molecular Weight":"378.27442","RT [min]":"11.141"},{"Metabolite":"2-Butoxy-2-oxoethyl butyl phthalate","Formula":"C18 H24 O6","Molecular Weight":"336.15726","RT [min]":"10.347"},{"Metabolite":"2-Chloro-4,4'-biphenyldiol","Formula":"C12 H9 Cl O2","Molecular Weight":"220.02918","RT [min]":"4.907"},{"Metabolite":"2-cyanobenzaldehyde","Formula":"C8 H5 N O","Molecular Weight":"131.03728","RT [min]":"4.768"},{"Metabolite":"2-Ethyl-4,5-dimethylthiazole","Formula":"C7 H11 N O","Molecular Weight":"125.08419","RT [min]":"5.752"},{"Metabolite":"2-Furoylglycine;Pyromucuricacid","Formula":"C7 H7 N O4","Molecular Weight":"169.03757","RT [min]":"3.594"},{"Metabolite":"2-Hydroxyhippuric acid","Formula":"C9 H9 N O4","Molecular Weight":"195.05323","RT [min]":"4.149"},{"Metabolite":"2-hydroxyphenylacetic acid","Formula":"C8 H8 O3","Molecular Weight":"152.04733","RT [min]":"2.931"},{"Metabolite":"2-Hydroxypyridine","Formula":"C5 H5 N O","Molecular Weight":"95.03736","RT [min]":"2.048"},{"Metabolite":"2-Hydroxyquinoline","Formula":"C9 H7 N O","Molecular Weight":"145.05286","RT [min]":"6.236"},{"Metabolite":"2-Isopropylmaleate","Formula":"C7 H10 O4","Molecular Weight":"158.05803","RT [min]":"6.953"},{"Metabolite":"2-linoleoyl-sn-glycero-3-phosphoethanolamine","Formula":"C23 H44 N O7 P","Molecular Weight":"477.28542","RT [min]":"10.882"},{"Metabolite":"2-Mercaptoethanol","Formula":"C2 H6 O S","Molecular Weight":"78.01417","RT [min]":"1.308"},{"Metabolite":"2-Methylcholine","Formula":"C6 H15 N O","Molecular Weight":"117.11545","RT [min]":"1.226"},{"Metabolite":"2-Methylnicotinamide","Formula":"C7 H8 N2 O","Molecular Weight":"136.06381","RT [min]":"0.987"},{"Metabolite":"2-Methylpropanamine","Formula":"C4 H11 N","Molecular Weight":"73.08939","RT [min]":"1.085"},{"Metabolite":"2-Methylthiazolidine","Formula":"C4 H9 N S","Molecular Weight":"103.04577","RT [min]":"1.336"},{"Metabolite":"2-Naphthylamine","Formula":"C10 H9 N","Molecular Weight":"143.07356","RT [min]":"4.386"},{"Metabolite":"2-Oxindole","Formula":"C8 H7 N O","Molecular Weight":"133.05293","RT [min]":"6.643"},{"Metabolite":"2-Oxovaleric acid","Formula":"C5 H8 O3","Molecular Weight":"116.04752","RT [min]":"1.08"},{"Metabolite":"2-PCB","Formula":"C12 H9 Cl","Molecular Weight":"188.03964","RT [min]":"0.955"},{"Metabolite":"2-Phenyl-4-pentenal","Formula":"C11 H12 O","Molecular Weight":"160.08891","RT [min]":"8.587"},{"Metabolite":"2S-Amino-tridecanoic acid","Formula":"C13 H27 N O2","Molecular Weight":"229.20413","RT [min]":"9.735"},{"Metabolite":"2-trans-Hexadecenal","Formula":"C16 H30 O","Molecular Weight":"238.22953","RT [min]":"11.075"},{"Metabolite":"3-(3,4,5-trimethoxyphenyl)propanoic acid","Formula":"C12 H16 O5","Molecular Weight":"222.08927","RT [min]":"10.299"},{"Metabolite":"3-(4-Hydroxy-1,3-benzothiazol-6-yl)alanine","Formula":"C10 H10 N2 O3 S","Molecular Weight":"238.0414","RT [min]":"8.653"},{"Metabolite":"3, 5-Tetradecadiencarnitine","Formula":"C21 H37 N O4","Molecular Weight":"367.27201","RT [min]":"10.259"},{"Metabolite":"3,4-DIHYDROXYPHENYLGLYCOL","Formula":"C8 H10 O4","Molecular Weight":"170.05562","RT [min]":"4.454"},{"Metabolite":"3,5-ditert-butyl-4-hydroxybenzaldehyde","Formula":"C15 H22 O2","Molecular Weight":"234.16195","RT [min]":"10.533"},{"Metabolite":"3,5-ditert-butyl-4-hydroxybenzonitrile","Formula":"C15 H21 N O","Molecular Weight":"231.16234","RT [min]":"6.136"},{"Metabolite":"3,6-Diacetyl-9-isoamylcarbazole","Formula":"C21 H23 N O2","Molecular Weight":"321.17299","RT [min]":"9.29"},{"Metabolite":"3_4-Dihydroxymandelate","Formula":"C8 H8 O5","Molecular Weight":"184.0348","RT [min]":"0.946"},{"Metabolite":"3_4-Dihydroxyphenylethyleneglycol","Formula":"C8 H10 O4","Molecular Weight":"170.0556","RT [min]":"2.963"},{"Metabolite":"3-Amino-2-methylpropanoate","Formula":"C4 H9 N O2","Molecular Weight":"103.06359","RT [min]":"0.978"},{"Metabolite":"3-Butyn-1-al","Formula":"C4 H4 O","Molecular Weight":"68.02646","RT [min]":"1.08"},{"Metabolite":"3-Chloro-4-nitro-1,2-oxazole","Formula":"C3 H Cl N2 O3","Molecular Weight":"147.96858","RT [min]":"0.767"},{"Metabolite":"3-CYSTEINYLACETAMINOPHEN","Formula":"C11 H14 N2 O4 S","Molecular Weight":"270.06768","RT [min]":"3.691"},{"Metabolite":"3-Dehydrocarnitine","Formula":"C7 H13 N O3","Molecular Weight":"159.08963","RT [min]":"3.632"},{"Metabolite":"3-Dehydroxycarnitine","Formula":"C7 H15 N O2","Molecular Weight":"145.11036","RT [min]":"3.706"},{"Metabolite":"3-Hydroxy-2-methyl-4-pyrone","Formula":"C6 H6 O3","Molecular Weight":"126.03177","RT [min]":"1.021"},{"Metabolite":"3-Hydroxy-3-[(3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate","Formula":"C12 H23 N O5","Molecular Weight":"261.15778","RT [min]":"2.618"},{"Metabolite":"3-Hydroxyanthranilic acid","Formula":"C7 H7 N O3","Molecular Weight":"153.04268","RT [min]":"3.818"},{"Metabolite":"3-Hydroxy-cis-5-tetradecenoylcarnitine","Formula":"C21 H39 N O5","Molecular Weight":"385.28262","RT [min]":"10.246"},{"Metabolite":"3-Hydroxycotinine","Formula":"C10 H12 N2 O2","Molecular Weight":"192.08988","RT [min]":"1.327"},{"Metabolite":"3-hydroxydodecanoylcarnitine","Formula":"C19 H37 N O5","Molecular Weight":"359.26724","RT [min]":"9.786"},{"Metabolite":"3-Hydroxy-N-(2-oxotetrahydro-3-furanyl)dodecanamide","Formula":"C16 H29 N O4","Molecular Weight":"299.21001","RT [min]":"8.804"},{"Metabolite":"3'-HYDROXYPENTOBARBITAL, (1'R,3'S)-(+/-)-","Formula":"C11 H18 N2 O4","Molecular Weight":"242.12662","RT [min]":"5.633"},{"Metabolite":"3-METHOXYTYROSINE","Formula":"C10 H13 N O4","Molecular Weight":"211.08462","RT [min]":"2.93"},{"Metabolite":"3-Methylcrotonylglycine","Formula":"C7 H11 N O3","Molecular Weight":"157.07395","RT [min]":"2.272"},{"Metabolite":"3-Methylsulfolene","Formula":"C5 H8 O2 S","Molecular Weight":"132.02459","RT [min]":"1.336"},{"Metabolite":"3-NITRO-L-TYROSINE","Formula":"C9 H10 N2 O5","Molecular Weight":"226.05911","RT [min]":"2.744"},{"Metabolite":"3-Oxalomalate","Formula":"C6 H6 O8","Molecular Weight":"206.00702","RT [min]":"0.941"},{"Metabolite":"3-Oxo-N-(2-oxotetrahydro-3-furanyl)decanamide","Formula":"C14 H23 N O4","Molecular Weight":"269.16296","RT [min]":"3.152"},{"Metabolite":"3-Oxotetradecanoic acid","Formula":"C14 H26 O3","Molecular Weight":"242.18813","RT [min]":"10.277"},{"Metabolite":"3-Ureidoisobutyrate","Formula":"C5 H10 N2 O3","Molecular Weight":"146.06924","RT [min]":"5.558"},{"Metabolite":"4,4'-dimethoxy[1,1'-biphenyl]-2-carbonitrile","Formula":"C15 H13 N O2","Molecular Weight":"239.09474","RT [min]":"3.574"},{"Metabolite":"4,4'-Thiobis(butan-2-one)","Formula":"C8 H14 O2 S","Molecular Weight":"174.07153","RT [min]":"5.034"},{"Metabolite":"4,6-Dimethyl-2(1H)-pyrimidinone","Formula":"C6 H8 N2 O","Molecular Weight":"124.06377","RT [min]":"3.476"},{"Metabolite":"4-Acetamidoantipyrine","Formula":"C13 H15 N3 O2","Molecular Weight":"245.11643","RT [min]":"5.558"},{"Metabolite":"4-Acetamidobutanoic acid","Formula":"C6 H11 N O3","Molecular Weight":"145.074","RT [min]":"2.564"},{"Metabolite":"4-Amino-3-hydroxybenzoic acid","Formula":"C7 H7 N O3","Molecular Weight":"153.04258","RT [min]":"2.799"},{"Metabolite":"4-Aminohippuricacid","Formula":"C9 H10 N2 O3","Molecular Weight":"194.06919","RT [min]":"3.666"},{"Metabolite":"4-Aminophenol","Formula":"C6 H7 N O","Molecular Weight":"109.05296","RT [min]":"4.004"},{"Metabolite":"4-Aminopyridine","Formula":"C5 H6 N2","Molecular Weight":"94.05329","RT [min]":"1.127"},{"Metabolite":"4-Coumarylalcohol","Formula":"C9 H10 O2","Molecular Weight":"150.06811","RT [min]":"7.869"},{"Metabolite":"4-Coumarylalcohol(4-Hydroxycoumarin)","Formula":"C9 H6 O3","Molecular Weight":"162.03168","RT [min]":"10.625"},{"Metabolite":"4-Ethynylaniline","Formula":"C8 H7 N","Molecular Weight":"117.05793","RT [min]":"4.386"},{"Metabolite":"4-Formylaminoantipyrine","Formula":"C12 H13 N3 O2","Molecular Weight":"231.1008","RT [min]":"5.425"},{"Metabolite":"4-Guanidinobutanoate","Formula":"C5 H11 N3 O2","Molecular Weight":"145.08519","RT [min]":"1.164"},{"Metabolite":"4-HQN","Formula":"C8 H6 N2 O","Molecular Weight":"146.04809","RT [min]":"5.974"},{"Metabolite":"4-Hydroxy-2-butynal","Formula":"C4 H4 O2","Molecular Weight":"84.02137","RT [min]":"0.998"},{"Metabolite":"4-Hydroxybenzaldehyde","Formula":"C7 H6 O2","Molecular Weight":"122.0369","RT [min]":"5.601"},{"Metabolite":"4-Hydroxycinnamoylmethane","Formula":"C10 H10 O2","Molecular Weight":"162.06821","RT [min]":"7.107"},{"Metabolite":"4-Hydroxymandelicacid","Formula":"C8 H8 O4","Molecular Weight":"168.03999","RT [min]":"4.267"},{"Metabolite":"4-Hydroxyphenylacetaldehyde","Formula":"C8 H8 O2","Molecular Weight":"136.05254","RT [min]":"3.953"},{"Metabolite":"4-Hydroxyprolylleucine","Formula":"C11 H20 N2 O4","Molecular Weight":"244.1424","RT [min]":"2.974"},{"Metabolite":"4-Imidazolone-5-propanoate","Formula":"C6 H8 N2 O3","Molecular Weight":"156.05362","RT [min]":"1.045"},{"Metabolite":"4-Imino-1-(beta-D-ribofuranosyl)-1,4-dihydro-3-pyridinecarboxylic acid","Formula":"C11 H14 N2 O6","Molecular Weight":"270.08539","RT [min]":"2.708"},{"Metabolite":"4-Indolecarbaldehyde","Formula":"C9 H7 N O","Molecular Weight":"145.05286","RT [min]":"7.678"},{"Metabolite":"4-Methyl-2-phenyl-1,3-thiazole","Formula":"C10 H9 N S","Molecular Weight":"175.04449","RT [min]":"2.258"},{"Metabolite":"4-Methylaminoantipyrine","Formula":"C12 H15 N3 O","Molecular Weight":"217.12154","RT [min]":"3.91"},{"Metabolite":"4-METHYLCATECHOL","Formula":"C7 H8 O2","Molecular Weight":"124.05254","RT [min]":"7.107"},{"Metabolite":"4-Methylene-2-oxoglutarate","Formula":"C6 H6 O5","Molecular Weight":"158.02158","RT [min]":"2.02"},{"Metabolite":"4-Methylene-L-glutamine","Formula":"C6 H10 N2 O3","Molecular Weight":"158.0692","RT [min]":"0.973"},{"Metabolite":"4-Pyridoxic acid","Formula":"C8 H9 N O4","Molecular Weight":"183.0532","RT [min]":"2.918"},{"Metabolite":"4-Quinolinecarboxylic acid","Formula":"C10 H7 N O2","Molecular Weight":"173.04779","RT [min]":"5.381"},{"Metabolite":"4-Sulfanyldihydro-3(2H)-furanone","Formula":"C4 H6 O2 S","Molecular Weight":"118.00904","RT [min]":"2.187"},{"Metabolite":"5-(N,N-Dimethylcarbamimidamido)-2-oxopentanoic acid","Formula":"C8 H15 N3 O3","Molecular Weight":"201.11146","RT [min]":"2.208"},{"Metabolite":"5_10-Methenyltetrahydrofolate","Formula":"C20 H22 N7 O6","Molecular Weight":"456.16963","RT [min]":"6.827"},{"Metabolite":"5-Acetylamino-6-amino-3-methyluracil","Formula":"C7 H10 N4 O3","Molecular Weight":"198.07534","RT [min]":"2.552"},{"Metabolite":"5-Amino-4-imidazolecarboxylate","Formula":"C4 H5 N3 O2","Molecular Weight":"127.03834","RT [min]":"3.651"},{"Metabolite":"5-Aminolevulinate","Formula":"C5 H9 N O3","Molecular Weight":"131.05838","RT [min]":"0.96"},{"Metabolite":"5-Aminopentanal","Formula":"C5 H11 N O","Molecular Weight":"101.08426","RT [min]":"1.279"},{"Metabolite":"5-Fluoro-3,5-AB-PFUPPYCA","Formula":"C20 H26 F2 N4 O2","Molecular Weight":"392.20229","RT [min]":"6.483"},{"Metabolite":"5-Hydroxyindole-3-acetic acid","Formula":"C10 H9 N O3","Molecular Weight":"191.05838","RT [min]":"2.867"},{"Metabolite":"5-Hydroxyisourate","Formula":"C5 H4 N4 O4","Molecular Weight":"184.02334","RT [min]":"1.768"},{"Metabolite":"5-Hydroxy-L-tryptophan","Formula":"C11 H12 N2 O3","Molecular Weight":"220.08496","RT [min]":"2.423"},{"Metabolite":"5-Methylthio-D-ribose","Formula":"C6 H12 O4 S","Molecular Weight":"180.04571","RT [min]":"1.254"},{"Metabolite":"5-Valerolactone","Formula":"C5 H8 O2","Molecular Weight":"100.05266","RT [min]":"1.054"},{"Metabolite":"6-Hydroxypseudooxynicotine","Formula":"C10 H14 N2 O2","Molecular Weight":"194.10561","RT [min]":"2.387"},{"Metabolite":"6-Methylindole","Formula":"C9 H9 N","Molecular Weight":"131.0736","RT [min]":"4.386"},{"Metabolite":"7,8-dihydro-8-oxoguanine","Formula":"C5 H5 N5 O2","Molecular Weight":"167.04707","RT [min]":"5.464"},{"Metabolite":"7_8-Dihydroneopterin","Formula":"C9 H13 N5 O4","Molecular Weight":"255.09682","RT [min]":"2.456"},{"Metabolite":"7-methyl-3-nitroimidazo[1,2-a]pyridine","Formula":"C8 H7 N3 O2","Molecular Weight":"199.03352","RT [min]":"0.924"},{"Metabolite":"7-Methylxanthosine","Formula":"C11 H15 N4 O6","Molecular Weight":"299.09422","RT [min]":"5.142"},{"Metabolite":"7-Oxobenz[de]anthracene","Formula":"C17 H10 O","Molecular Weight":"230.07679","RT [min]":"3.903"},{"Metabolite":"8-Amino-7-oxononanoate","Formula":"C9 H17 N O3","Molecular Weight":"187.12093","RT [min]":"1.232"},{"Metabolite":"8-hydroxy-7-methylguanine","Formula":"C6 H7 N5 O2","Molecular Weight":"181.06002","RT [min]":"3.267"},{"Metabolite":"8'-Hydroxyabscisate","Formula":"C15 H20 O5","Molecular Weight":"280.13119","RT [min]":"10.545"},{"Metabolite":"8-Hydroxyhexadecanedioic acid","Formula":"C16 H30 O5","Molecular Weight":"302.2096","RT [min]":"11.19"},{"Metabolite":"8-Hydroxyquinoline","Formula":"C9 H7 N O","Molecular Weight":"145.0528","RT [min]":"2.864"},{"Metabolite":"8-Oxocoformycin","Formula":"C11 H14 N4 O5","Molecular Weight":"282.09664","RT [min]":"3.644"},{"Metabolite":"9,12-Hexadecadienoylcarnitine","Formula":"C23 H41 N O4","Molecular Weight":"395.30339","RT [min]":"10.333"},{"Metabolite":"9-Decenoylcarnitine","Formula":"C17 H31 N O4","Molecular Weight":"313.22536","RT [min]":"9.952"},{"Metabolite":"Aceclidine","Formula":"C9 H15 N O2","Molecular Weight":"169.11039","RT [min]":"3.662"},{"Metabolite":"Acetoacetate","Formula":"C4 H6 O3","Molecular Weight":"102.03191","RT [min]":"1.132"},{"Metabolite":"Acetochlor ESA","Formula":"C14 H21 N O5 S","Molecular Weight":"315.11424","RT [min]":"5.654"},{"Metabolite":"Acetonecyanohydrin","Formula":"C4 H7 N O","Molecular Weight":"85.05298","RT [min]":"2.563"},{"Metabolite":"Acetylcholine","Formula":"C7 H15 N O2","Molecular Weight":"145.11035","RT [min]":"1.094"},{"Metabolite":"Acetyl-L-carnitine","Formula":"C9 H17 N O4","Molecular Weight":"203.11583","RT [min]":"1.369"},{"Metabolite":"Acetyl-β-methylcholine","Formula":"C8 H17 N O2","Molecular Weight":"159.12601","RT [min]":"1.444"},{"Metabolite":"Acycloguanosine","Formula":"C8 H11 N5 O3","Molecular Weight":"225.08634","RT [min]":"2.713"},{"Metabolite":"Adaprolol","Formula":"C26 H39 N O4","Molecular Weight":"429.28767","RT [min]":"10.489"},{"Metabolite":"Adenosine 5'-monophosphate","Formula":"C10 H14 N5 O7 P","Molecular Weight":"347.0631","RT [min]":"1.777"},{"Metabolite":"alanyl-poly(glycerolphosphate)","Formula":"C9 H21 N O12 P2","Molecular Weight":"397.05857","RT [min]":"8.452"},{"Metabolite":"Ala-Pro","Formula":"C8 H14 N2 O3","Molecular Weight":"186.10059","RT [min]":"3.392"},{"Metabolite":"Ala-Tyr","Formula":"C12 H16 N2 O4","Molecular Weight":"252.11107","RT [min]":"4.271"},{"Metabolite":"allyl bromide","Formula":"C3 H5 Br","Molecular Weight":"119.95906","RT [min]":"0.939"},{"Metabolite":"allylcysteine","Formula":"C6 H11 N O2 S","Molecular Weight":"161.05119","RT [min]":"2.459"},{"Metabolite":"alpha-Ribazole","Formula":"C14 H18 N2 O4","Molecular Weight":"278.12694","RT [min]":"3.944"},{"Metabolite":"Alprenolol","Formula":"C15 H23 N O2","Molecular Weight":"249.17294","RT [min]":"4.98"},{"Metabolite":"Amides, C12-18, N-(hydroxyethyl)","Formula":"C17 H35 N O2","Molecular Weight":"285.26707","RT [min]":"10.242"},{"Metabolite":"Anhydroecgonine","Formula":"C9 H13 N O2","Molecular Weight":"167.0946","RT [min]":"1.563"},{"Metabolite":"Aniline","Formula":"C6 H7 N","Molecular Weight":"93.05808","RT [min]":"2.867"},{"Metabolite":"Anisole","Formula":"C7 H8 O","Molecular Weight":"108.05762","RT [min]":"5.382"},{"Metabolite":"Ankorine","Formula":"C19 H29 N O4","Molecular Weight":"335.20979","RT [min]":"9.748"},{"Metabolite":"Anthranilate","Formula":"C7 H7 N O2","Molecular Weight":"137.04782","RT [min]":"4.51"},{"Metabolite":"apronalide","Formula":"C9 H16 N2 O2","Molecular Weight":"184.12129","RT [min]":"4.301"},{"Metabolite":"ARECOLINE","Formula":"C8 H13 N O2","Molecular Weight":"155.09469","RT [min]":"6.253"},{"Metabolite":"arg-leu","Formula":"C12 H25 N5 O3","Molecular Weight":"287.19609","RT [min]":"4.761"},{"Metabolite":"Aripiprazole","Formula":"C23 H27 Cl2 N3 O2","Molecular Weight":"447.14775","RT [min]":"9.903"},{"Metabolite":"asp-leu","Formula":"C10 H18 N2 O5","Molecular Weight":"246.12169","RT [min]":"3.954"},{"Metabolite":"Atagabalin","Formula":"C10 H19 N O2","Molecular Weight":"185.14168","RT [min]":"2.46"},{"Metabolite":"Atenolol acid","Formula":"C14 H21 N O4","Molecular Weight":"267.14717","RT [min]":"5.076"},{"Metabolite":"Baclofen","Formula":"C10 H12 Cl N O2","Molecular Weight":"213.0559","RT [min]":"4.692"},{"Metabolite":"Benzaldehyde","Formula":"C7 H6 O","Molecular Weight":"106.04204","RT [min]":"3.061"},{"Metabolite":"Benzene","Formula":"C6 H6","Molecular Weight":"78.04709","RT [min]":"3.06"},{"Metabolite":"Benzyl butyl phthalate","Formula":"C19 H20 O4","Molecular Weight":"312.13609","RT [min]":"10.616"},{"Metabolite":"Benzyl methacrylate","Formula":"C11 H12 O2","Molecular Weight":"193.11036","RT [min]":"3.685"},{"Metabolite":"Benzyl2-methyl-3-oxobutanoate","Formula":"C12 H14 O3","Molecular Weight":"206.09438","RT [min]":"9.802"},{"Metabolite":"Beta-Alanine","Formula":"C3 H7 N O2","Molecular Weight":"89.0479","RT [min]":"0.999"},{"Metabolite":"beta-Leucine","Formula":"C6 H13 N O2","Molecular Weight":"131.09476","RT [min]":"1.087"},{"Metabolite":"BIM-1","Formula":"C25 H24 N4 O2","Molecular Weight":"412.18853","RT [min]":"10.448"},{"Metabolite":"BiochaninA","Formula":"C16 H12 O5","Molecular Weight":"284.06942","RT [min]":"2.216"},{"Metabolite":"Biotin","Formula":"C10 H16 N2 O3 S","Molecular Weight":"244.09236","RT [min]":"4.771"},{"Metabolite":"Bis(2-ethylhexyl) amine","Formula":"C16 H35 N","Molecular Weight":"241.27692","RT [min]":"10.31"},{"Metabolite":"Brassylic acid","Formula":"C13 H24 O4","Molecular Weight":"244.16751","RT [min]":"10.459"},{"Metabolite":"Buflomedil","Formula":"C17 H25 N O4","Molecular Weight":"307.17843","RT [min]":"8.724"},{"Metabolite":"Buphedrine","Formula":"C11 H17 N O","Molecular Weight":"179.13112","RT [min]":"3.206"},{"Metabolite":"Butabarbital","Formula":"C10 H16 N2 O3","Molecular Weight":"212.11627","RT [min]":"1.768"},{"Metabolite":"Butoxytriglycol","Formula":"C10 H22 O4","Molecular Weight":"206.1519","RT [min]":"7.729"},{"Metabolite":"Butyryl-L-carnitine","Formula":"C11 H21 N O4","Molecular Weight":"231.14721","RT [min]":"3.225"},{"Metabolite":"Cafestol","Formula":"C20 H28 O3","Molecular Weight":"316.20186","RT [min]":"10.665"},{"Metabolite":"Caffeine","Formula":"C8 H10 N4 O2","Molecular Weight":"194.08043","RT [min]":"6.073"},{"Metabolite":"Caprolactam","Formula":"C6 H11 N O","Molecular Weight":"113.08422","RT [min]":"4.734"},{"Metabolite":"Capryloylglycine","Formula":"C10 H19 N O3","Molecular Weight":"201.13662","RT [min]":"3.284"},{"Metabolite":"Carbamazepine","Formula":"C15 H12 N2 O","Molecular Weight":"236.09484","RT [min]":"10.007"},{"Metabolite":"Carbamazepine 10,11-epoxide","Formula":"C15 H12 N2 O2","Molecular Weight":"252.08984","RT [min]":"8.95"},{"Metabolite":"Carbaryl","Formula":"C12 H11 N O2","Molecular Weight":"201.0791","RT [min]":"4.343"},{"Metabolite":"Carnidazole","Formula":"C8 H12 N4 O3 S","Molecular Weight":"244.06309","RT [min]":"2.598"},{"Metabolite":"Carvedilol","Formula":"C24 H26 N2 O4","Molecular Weight":"406.18931","RT [min]":"9.58"},{"Metabolite":"CephalosporinC","Formula":"C16 H21 N3 O8 S","Molecular Weight":"415.10346","RT [min]":"2.892"},{"Metabolite":"Cerulenin","Formula":"C12 H17 N O3","Molecular Weight":"223.12103","RT [min]":"2.88"},{"Metabolite":"Cetirizine","Formula":"C21 H25 Cl N2 O3","Molecular Weight":"388.15502","RT [min]":"10.125"},{"Metabolite":"chavicol","Formula":"C9 H10 O","Molecular Weight":"134.07321","RT [min]":"10.421"},{"Metabolite":"Cholic acid","Formula":"C24 H40 O5","Molecular Weight":"408.28534","RT [min]":"10.58"},{"Metabolite":"Choline","Formula":"C5 H13 N O","Molecular Weight":"103.09991","RT [min]":"0.966"},{"Metabolite":"Cinnamaldehyde","Formula":"C9 H8 O","Molecular Weight":"132.05751","RT [min]":"10.583"},{"Metabolite":"cis-5-Tetradecenoylcarnitine","Formula":"C21 H39 N O4","Molecular Weight":"369.28765","RT [min]":"10.314"},{"Metabolite":"cis-dihomoaconitic acid","Formula":"C8 H10 O6","Molecular Weight":"202.04542","RT [min]":"0.954"},{"Metabolite":"cis-Tramadol","Formula":"C16 H25 N O2","Molecular Weight":"263.18861","RT [min]":"6.432"},{"Metabolite":"Clindamycin","Formula":"C18 H33 Cl N2 O5 S","Molecular Weight":"424.17968","RT [min]":"8.609"},{"Metabolite":"clomazone","Formula":"C12 H14 Cl N O2","Molecular Weight":"239.07144","RT [min]":"3.607"},{"Metabolite":"Clopidol","Formula":"C7 H7 Cl2 N O","Molecular Weight":"190.9906","RT [min]":"5.256"},{"Metabolite":"Coniferylalcohol","Formula":"C10 H12 O3","Molecular Weight":"180.07863","RT [min]":"10.298"},{"Metabolite":"Coniferylaldehyde","Formula":"C10 H10 O3","Molecular Weight":"178.06312","RT [min]":"4.19"},{"Metabolite":"Coumarin","Formula":"C9 H6 O2","Molecular Weight":"146.03686","RT [min]":"2.146"},{"Metabolite":"Coumarone","Formula":"C8 H6 O","Molecular Weight":"118.04201","RT [min]":"2.144"},{"Metabolite":"Crotonic acid","Formula":"C4 H6 O2","Molecular Weight":"86.03699","RT [min]":"1.984"},{"Metabolite":"Cuminaldehyde","Formula":"C10 H12 O","Molecular Weight":"148.0888","RT [min]":"10.427"},{"Metabolite":"cyclandelate","Formula":"C17 H24 O3","Molecular Weight":"276.17261","RT [min]":"10.514"},{"Metabolite":"Cycloheptene","Formula":"C7 H12","Molecular Weight":"96.0941","RT [min]":"7.557"},{"Metabolite":"Cyclohexanethiol","Formula":"C6 H12 S","Molecular Weight":"116.06684","RT [min]":"1.019"},{"Metabolite":"Cyclohexylamine","Formula":"C6 H13 N","Molecular Weight":"99.10501","RT [min]":"2.399"},{"Metabolite":"Cytidine","Formula":"C9 H13 N3 O5","Molecular Weight":"243.08417","RT [min]":"3.369"},{"Metabolite":"Cytosine","Formula":"C4 H5 N3 O","Molecular Weight":"111.04353","RT [min]":"3.94"},{"Metabolite":"D-2-Amino-hexano-6-lactam","Formula":"C6 H12 N2 O","Molecular Weight":"128.09511","RT [min]":"1.124"},{"Metabolite":"dADP","Formula":"C12 H13 N O15","Molecular Weight":"411.0279","RT [min]":"5.426"},{"Metabolite":"D-Ala-D-Ala","Formula":"C6 H12 N2 O3","Molecular Weight":"160.08487","RT [min]":"1.311"},{"Metabolite":"Dambonitol","Formula":"C8 H16 O6","Molecular Weight":"208.09482","RT [min]":"3.899"},{"Metabolite":"D-Apiitol","Formula":"C5 H12 O4","Molecular Weight":"136.07367","RT [min]":"1.053"},{"Metabolite":"D-Carnitine","Formula":"C7 H15 N O3","Molecular Weight":"161.1053","RT [min]":"0.978"},{"Metabolite":"Deacetylcefotaxime","Formula":"C14 H15 N5 O6 S2","Molecular Weight":"413.0463","RT [min]":"4.816"},{"Metabolite":"Decanoylcarnitine","Formula":"C17 H33 N O4","Molecular Weight":"315.24096","RT [min]":"10.134"},{"Metabolite":"Deoxyguanidinoproclavaminic acid","Formula":"C9 H16 N4 O3","Molecular Weight":"228.12239","RT [min]":"1.038"},{"Metabolite":"Dethiobiotin","Formula":"C10 H18 N2 O3","Molecular Weight":"214.13183","RT [min]":"2.063"},{"Metabolite":"Dextromethorphan","Formula":"C18 H25 N O","Molecular Weight":"271.1938","RT [min]":"8.705"},{"Metabolite":"Diaveridine","Formula":"C13 H16 N4 O2","Molecular Weight":"260.12372","RT [min]":"4.692"},{"Metabolite":"Dibenzoylmethane","Formula":"C15 H12 O2","Molecular Weight":"224.08374","RT [min]":"10.428"},{"Metabolite":"Dibenzylamine","Formula":"C14 H15 N","Molecular Weight":"197.12051","RT [min]":"6.446"},{"Metabolite":"DICHLORODIFLUOROMETHANE","Formula":"C Cl2 F2","Molecular Weight":"119.93591","RT [min]":"2.012"},{"Metabolite":"Dichloromethane","Formula":"C H2 Cl2","Molecular Weight":"83.95263","RT [min]":"0.767"},{"Metabolite":"Dicyclohexylamine","Formula":"C12 H23 N","Molecular Weight":"181.18313","RT [min]":"6.675"},{"Metabolite":"Didecyldimethylammonium","Formula":"C22 H47 N","Molecular Weight":"325.37089","RT [min]":"10.338"},{"Metabolite":"Diethyl dibutylmalonate","Formula":"C15 H28 O4","Molecular Weight":"272.1988","RT [min]":"10.53"},{"Metabolite":"dihomomethionine","Formula":"C7 H15 N O2 S","Molecular Weight":"177.07913","RT [min]":"1.595"},{"Metabolite":"Dihydroclavaminic acid","Formula":"C8 H12 N2 O4","Molecular Weight":"200.07985","RT [min]":"2.065"},{"Metabolite":"Dihydrothymine","Formula":"C5 H8 N2 O2","Molecular Weight":"128.05873","RT [min]":"2.356"},{"Metabolite":"DIHYDROURACIL","Formula":"C4 H6 N2 O2","Molecular Weight":"114.04309","RT [min]":"1.357"},{"Metabolite":"Dihydrouridine","Formula":"C9 H14 N2 O6","Molecular Weight":"246.08534","RT [min]":"1.06"},{"Metabolite":"Dihydroxycarbamazepine","Formula":"C15 H14 N2 O3","Molecular Weight":"270.10043","RT [min]":"8.437"},{"Metabolite":"Diisobutylphthalate","Formula":"C16 H22 O4","Molecular Weight":"278.15188","RT [min]":"10.618"},{"Metabolite":"Diisopropylphosphate","Formula":"C6 H15 O4 P","Molecular Weight":"182.0705","RT [min]":"5.96"},{"Metabolite":"Dinitrosopentamethylenetetramine","Formula":"C5 H10 N6 O2","Molecular Weight":"186.08682","RT [min]":"4.198"},{"Metabolite":"Dioxohongdenafil","Formula":"C25 H30 N6 O5","Molecular Weight":"494.23398","RT [min]":"7.424"},{"Metabolite":"Diphenhydramine","Formula":"C17 H21 N O","Molecular Weight":"255.16245","RT [min]":"8.682"},{"Metabolite":"DL-Atenolol","Formula":"C14 H22 N2 O3","Molecular Weight":"266.16326","RT [min]":"3.824"},{"Metabolite":"DL-Stachydrine","Formula":"C7 H13 N O2","Molecular Weight":"143.09468","RT [min]":"1.155"},{"Metabolite":"DL-α-Aminocaprylic acid","Formula":"C8 H17 N O2","Molecular Weight":"159.12605","RT [min]":"5.896"},{"Metabolite":"Dopamine","Formula":"C8 H11 N O2","Molecular Weight":"153.07898","RT [min]":"4.519"},{"Metabolite":"Dopamine3-O-sulfate","Formula":"C8 H11 N O5 S","Molecular Weight":"233.03589","RT [min]":"2.423"},{"Metabolite":"Doxylamine","Formula":"C17 H22 N2 O","Molecular Weight":"270.17344","RT [min]":"4.951"},{"Metabolite":"Dubinidine","Formula":"C15 H17 N O4","Molecular Weight":"275.11601","RT [min]":"6.542"},{"Metabolite":"Ecgonine","Formula":"C9 H15 N O3","Molecular Weight":"185.10531","RT [min]":"2.308"},{"Metabolite":"Ecgonine methyl ester","Formula":"C10 H17 N O3","Molecular Weight":"199.12096","RT [min]":"1.833"},{"Metabolite":"Ectoine","Formula":"C6 H10 N2 O2","Molecular Weight":"142.07436","RT [min]":"1.085"},{"Metabolite":"Elaeokanine C","Formula":"C12 H21 N O2","Molecular Weight":"211.1573","RT [min]":"10.128"},{"Metabolite":"Eperisone","Formula":"C17 H25 N O","Molecular Weight":"259.19369","RT [min]":"9.745"},{"Metabolite":"Erucamide","Formula":"C22 H43 N O","Molecular Weight":"337.33451","RT [min]":"12.206"},{"Metabolite":"Escitalopram","Formula":"C20 H21 F N2 O","Molecular Weight":"324.16393","RT [min]":"8.744"},{"Metabolite":"ETHANOLAMINE PHOSPHATE","Formula":"C2 H8 N O4 P","Molecular Weight":"141.01755","RT [min]":"1.311"},{"Metabolite":"Ethyl ?-bromopropionate","Formula":"C5 H9 Br O2","Molecular Weight":"179.98012","RT [min]":"0.931"},{"Metabolite":"Ethyl palmitoleate","Formula":"C18 H34 O2","Molecular Weight":"282.25595","RT [min]":"10.738"},{"Metabolite":"Ethyl3-oxohexanoate","Formula":"C8 H14 O3","Molecular Weight":"158.09443","RT [min]":"5.09"},{"Metabolite":"Etodolac","Formula":"C17 H21 N O3","Molecular Weight":"287.15245","RT [min]":"3.645"},{"Metabolite":"fenamidone","Formula":"C17 H17 N3 O S","Molecular Weight":"311.10945","RT [min]":"7.455"},{"Metabolite":"Ferulate","Formula":"C10 H10 O4","Molecular Weight":"194.05793","RT [min]":"2.931"},{"Metabolite":"Fluconazole","Formula":"C13 H12 F2 N6 O","Molecular Weight":"306.10418","RT [min]":"7.339"},{"Metabolite":"Fluorene","Formula":"C13 H10","Molecular Weight":"166.07836","RT [min]":"10.369"},{"Metabolite":"Flurandrenolide","Formula":"C24 H33 F O6","Molecular Weight":"436.22838","RT [min]":"6.928"},{"Metabolite":"Fomepizole","Formula":"C4 H6 N2","Molecular Weight":"82.05334","RT [min]":"0.988"},{"Metabolite":"Furfural","Formula":"C5 H4 O2","Molecular Weight":"96.02136","RT [min]":"1.003"},{"Metabolite":"Gabapentin","Formula":"C9 H17 N O2","Molecular Weight":"171.12595","RT [min]":"4.254"},{"Metabolite":"gamma-Glu-gln","Formula":"C10 H17 N3 O6","Molecular Weight":"275.11197","RT [min]":"1.07"},{"Metabolite":"gamma-Glutamyl-gamma-aminobutyraldehyde","Formula":"C9 H16 N2 O4","Molecular Weight":"216.11112","RT [min]":"1.152"},{"Metabolite":"gamma-Glutamyl-gamma-aminobutyraye","Formula":"C9 H16 N2 O5","Molecular Weight":"232.10603","RT [min]":"2.291"},{"Metabolite":"GLUCONOLACTONE","Formula":"C6 H10 O6","Molecular Weight":"178.04793","RT [min]":"1.017"},{"Metabolite":"Glu-Gly","Formula":"C7 H12 N2 O5","Molecular Weight":"204.07469","RT [min]":"2.344"},{"Metabolite":"glutaraldehyde","Formula":"C5 H8 O2","Molecular Weight":"100.05265","RT [min]":"2.878"},{"Metabolite":"GLUTARYLCARNITINE","Formula":"C12 H21 N O6","Molecular Weight":"275.13708","RT [min]":"2.903"},{"Metabolite":"glutathione disulfide","Formula":"C20 H32 N6 O12 S2","Molecular Weight":"612.15254","RT [min]":"2.44"},{"Metabolite":"Glycochenodeoxycholic acid","Formula":"C26 H43 N O5","Molecular Weight":"449.31386","RT [min]":"10.604"},{"Metabolite":"Glycocholic acid","Formula":"C26 H43 N O6","Molecular Weight":"465.30885","RT [min]":"10.494"},{"Metabolite":"Gly-Lys","Formula":"C8 H17 N3 O3","Molecular Weight":"203.1271","RT [min]":"2.257"},{"Metabolite":"Gly-Pro(Glycylproline)","Formula":"C7 H12 N2 O3","Molecular Weight":"172.08493","RT [min]":"4.03"},{"Metabolite":"guaietolin","Formula":"C11 H16 O4","Molecular Weight":"212.10488","RT [min]":"8.309"},{"Metabolite":"Guanine","Formula":"C5 H5 N5 O","Molecular Weight":"151.04943","RT [min]":"2.713"},{"Metabolite":"Guvacoline","Formula":"C7 H11 N O2","Molecular Weight":"141.07901","RT [min]":"2.341"},{"Metabolite":"Haplopine","Formula":"C13 H11 N O4","Molecular Weight":"245.06882","RT [min]":"4.014"},{"Metabolite":"Hexanoylcarnitine","Formula":"C13 H25 N O4","Molecular Weight":"259.17849","RT [min]":"6.213"},{"Metabolite":"Hexanoylglycine","Formula":"C8 H15 N O3","Molecular Weight":"173.10528","RT [min]":"4.522"},{"Metabolite":"hexobarbital","Formula":"C12 H16 N2 O3","Molecular Weight":"236.11621","RT [min]":"4.182"},{"Metabolite":"Hexylamine","Formula":"C6 H15 N","Molecular Weight":"101.12062","RT [min]":"1.612"},{"Metabolite":"Hexylresorcinol","Formula":"C12 H18 O2","Molecular Weight":"194.13066","RT [min]":"7.88"},{"Metabolite":"Hippuric acid","Formula":"C9 H9 N O3","Molecular Weight":"179.0583","RT [min]":"5.425"},{"Metabolite":"Homoarginine","Formula":"C7 H16 N4 O2","Molecular Weight":"188.12738","RT [min]":"0.952"},{"Metabolite":"Homogentisic acid","Formula":"C8 H8 O4","Molecular Weight":"168.04","RT [min]":"2.661"},{"Metabolite":"homomethionine","Formula":"C6 H13 N O2 S","Molecular Weight":"163.06681","RT [min]":"2.176"},{"Metabolite":"Hordenine","Formula":"C10 H15 N O","Molecular Weight":"165.11546","RT [min]":"3.826"},{"Metabolite":"hydralazine","Formula":"C8 H8 N4","Molecular Weight":"160.07501","RT [min]":"2.949"},{"Metabolite":"HYDROQUINONE","Formula":"C6 H6 O2","Molecular Weight":"110.03691","RT [min]":"4.278"},{"Metabolite":"Hydroxy bupropion","Formula":"C13 H18 Cl N O2","Molecular Weight":"255.10282","RT [min]":"6.723"},{"Metabolite":"Hydroxyhexanoycarnitine","Formula":"C13 H25 N O5","Molecular Weight":"275.17336","RT [min]":"4.215"},{"Metabolite":"hypaphorine","Formula":"C14 H18 N2 O2","Molecular Weight":"246.13696","RT [min]":"4.879"},{"Metabolite":"Hypoxanthine","Formula":"C5 H4 N4 O","Molecular Weight":"136.0386","RT [min]":"2.952"},{"Metabolite":"Imafen","Formula":"C11 H13 N3","Molecular Weight":"187.10823","RT [min]":"2.359"},{"Metabolite":"Imagabalin","Formula":"C9 H19 N O2","Molecular Weight":"173.1417","RT [min]":"2.025"},{"Metabolite":"Imidazol-5-yl-pyruvate","Formula":"C6 H6 N2 O3","Molecular Weight":"154.03784","RT [min]":"1.989"},{"Metabolite":"Indane","Formula":"C9 H10","Molecular Weight":"118.07835","RT [min]":"10.427"},{"Metabolite":"Indole-3-acetaldoxime","Formula":"C10 H10 N2 O","Molecular Weight":"174.0794","RT [min]":"2.431"},{"Metabolite":"Indole-3-acetamide","Formula":"C10 H10 N2 O","Molecular Weight":"174.08279","RT [min]":"2.232"},{"Metabolite":"Indole-3-acetic acid","Formula":"C10 H9 N O2","Molecular Weight":"175.06344","RT [min]":"8.094"},{"Metabolite":"Indole-3-lactic acid","Formula":"C11 H11 N O3","Molecular Weight":"205.074","RT [min]":"7.587"},{"Metabolite":"Indole-5_6-quinone","Formula":"C8 H5 N O2","Molecular Weight":"147.03211","RT [min]":"5.763"},{"Metabolite":"INDOLEACETALDEHYDE","Formula":"C10 H9 N O","Molecular Weight":"159.06852","RT [min]":"2.741"},{"Metabolite":"Indoline","Formula":"C8 H9 N","Molecular Weight":"119.07359","RT [min]":"3.044"},{"Metabolite":"Indolylmethylthiohydroximate","Formula":"C10 H10 N2 O S","Molecular Weight":"206.05154","RT [min]":"3.695"},{"Metabolite":"Inosine","Formula":"C10 H12 N4 O5","Molecular Weight":"268.08099","RT [min]":"2.952"},{"Metabolite":"intercept","Formula":"C33 H60 O10","Molecular Weight":"616.41818","RT [min]":"10.778"},{"Metabolite":"Iohexol","Formula":"C19 H26 I3 N3 O9","Molecular Weight":"820.87971","RT [min]":"3.607"},{"Metabolite":"Isoamyl cyanide","Formula":"C6 H11 N","Molecular Weight":"97.08939","RT [min]":"5.754"},{"Metabolite":"Isococculidine","Formula":"C18 H23 N O2","Molecular Weight":"285.17323","RT [min]":"6.113"},{"Metabolite":"Isoniazid pyruvate","Formula":"C9 H9 N3 O3","Molecular Weight":"207.06452","RT [min]":"5.219"},{"Metabolite":"Kanosamine","Formula":"C6 H13 N O5","Molecular Weight":"179.08072","RT [min]":"4.337"},{"Metabolite":"Ketamine","Formula":"C13 H16 Cl N O","Molecular Weight":"237.09214","RT [min]":"5.91"},{"Metabolite":"Lactamide","Formula":"C3 H7 N O2","Molecular Weight":"89.04789","RT [min]":"2.079"},{"Metabolite":"L-alpha-lysophosphatidylcholine","Formula":"C22 H46 N O7 P","Molecular Weight":"467.30111","RT [min]":"11.308"},{"Metabolite":"Lamotrigine","Formula":"C9 H7 Cl2 N5","Molecular Weight":"255.00793","RT [min]":"6.538"},{"Metabolite":"L-Arginine","Formula":"C6 H14 N4 O2","Molecular Weight":"174.11176","RT [min]":"0.948"},{"Metabolite":"L-Ascorbate 6-phosphate","Formula":"C6 H9 O9 P","Molecular Weight":"255.99635","RT [min]":"0.964"},{"Metabolite":"Laudanosine","Formula":"C21 H27 N O4","Molecular Weight":"357.19401","RT [min]":"7.036"},{"Metabolite":"Lauramide","Formula":"C12 H25 N O","Molecular Weight":"199.19361","RT [min]":"10.657"},{"Metabolite":"LAUROYLCARNITINE","Formula":"C19 H37 N O4","Molecular Weight":"343.27208","RT [min]":"10.269"},{"Metabolite":"L-Carnitinamide","Formula":"C7 H16 N2 O2","Molecular Weight":"160.12129","RT [min]":"0.947"},{"Metabolite":"L-Citrulline","Formula":"C6 H13 N3 O3","Molecular Weight":"175.09578","RT [min]":"0.974"},{"Metabolite":"L-Cystine","Formula":"C5 H8 N2 O9","Molecular Weight":"240.02238","RT [min]":"0.975"},{"Metabolite":"Leu-Val","Formula":"C11 H22 N2 O3","Molecular Weight":"230.16306","RT [min]":"1.442"},{"Metabolite":"Levetiracetam","Formula":"C8 H14 N2 O2","Molecular Weight":"170.10558","RT [min]":"4.51"},{"Metabolite":"L-Formylkynurenine","Formula":"C11 H12 N2 O4","Molecular Weight":"236.07986","RT [min]":"3.379"},{"Metabolite":"L-gamma-Glutamyl-L-leucine","Formula":"C11 H20 N2 O5","Molecular Weight":"260.13738","RT [min]":"4.835"},{"Metabolite":"L-Glutamic acid","Formula":"C5 H9 N O4","Molecular Weight":"147.05322","RT [min]":"0.971"},{"Metabolite":"L-Glutamine","Formula":"C5 H10 N2 O3","Molecular Weight":"146.06927","RT [min]":"0.97"},{"Metabolite":"L-Histidine","Formula":"C6 H9 N3 O2","Molecular Weight":"155.06956","RT [min]":"1.28"},{"Metabolite":"L-Homocitrulline","Formula":"C7 H15 N3 O3","Molecular Weight":"189.11143","RT [min]":"1.064"},{"Metabolite":"L-Homocysteic acid","Formula":"C4 H9 N O5 S","Molecular Weight":"183.02095","RT [min]":"3.467"},{"Metabolite":"L-Homocystine","Formula":"C8 H16 N2 O4 S2","Molecular Weight":"268.05209","RT [min]":"3.693"},{"Metabolite":"L-Hypoglycin","Formula":"C7 H11 N O2","Molecular Weight":"141.0791","RT [min]":"1.5"},{"Metabolite":"Lidocaine","Formula":"C14 H22 N2 O","Molecular Weight":"234.17326","RT [min]":"5.19"},{"Metabolite":"Limonene-1_2-diol","Formula":"C10 H18 O2","Molecular Weight":"170.13066","RT [min]":"10.406"},{"Metabolite":"L-Indospicine","Formula":"C7 H15 N3 O2","Molecular Weight":"173.11654","RT [min]":"2.485"},{"Metabolite":"Linezolid","Formula":"C16 H20 F N3 O4","Molecular Weight":"337.14395","RT [min]":"8.18"},{"Metabolite":"Linoleyl carnitine","Formula":"C25 H45 N O4","Molecular Weight":"423.33467","RT [min]":"10.415"},{"Metabolite":"L-Isoleucine","Formula":"C6 H13 N O2","Molecular Weight":"131.09472","RT [min]":"1.727"},{"Metabolite":"L-Lysine","Formula":"C6 H14 N2 O2","Molecular Weight":"146.10561","RT [min]":"0.8"},{"Metabolite":"L-Methionine","Formula":"C5 H11 N O2 S","Molecular Weight":"149.05116","RT [min]":"1.337"},{"Metabolite":"L-MethionineS-oxide","Formula":"C5 H11 N O3 S","Molecular Weight":"165.04609","RT [min]":"1.324"},{"Metabolite":"L-Octanoylcarnitine","Formula":"C15 H29 N O4","Molecular Weight":"287.20995","RT [min]":"9.242"},{"Metabolite":"Lotaustralin","Formula":"C11 H19 N O6","Molecular Weight":"261.12141","RT [min]":"1.343"},{"Metabolite":"L-Phenylalanine","Formula":"C9 H11 N O2","Molecular Weight":"165.07915","RT [min]":"1.483"},{"Metabolite":"L-Proline","Formula":"C5 H9 N O2","Molecular Weight":"115.06352","RT [min]":"1.443"},{"Metabolite":"L-Pyroglutamic acid","Formula":"C5 H7 N O3","Molecular Weight":"129.04271","RT [min]":"0.968"},{"Metabolite":"L-Rhamnose","Formula":"C6 H12 O5","Molecular Weight":"164.06858","RT [min]":"8.439"},{"Metabolite":"L-Threonine","Formula":"C4 H9 N O3","Molecular Weight":"119.05838","RT [min]":"1.104"},{"Metabolite":"L-Tryptophan","Formula":"C11 H12 N2 O2","Molecular Weight":"204.08991","RT [min]":"4.384"},{"Metabolite":"L-Tyrosine","Formula":"C9 H11 N O3","Molecular Weight":"181.07385","RT [min]":"2.125"},{"Metabolite":"L-Tyrosine methyl ester","Formula":"C10 H13 N O3","Molecular Weight":"195.08964","RT [min]":"3.625"},{"Metabolite":"Maltitol","Formula":"C12 H24 O11","Molecular Weight":"344.12897","RT [min]":"10.238"},{"Metabolite":"Mannitol","Formula":"C6 H14 O6","Molecular Weight":"182.07915","RT [min]":"0.989"},{"Metabolite":"Maraniol","Formula":"C12 H12 O3","Molecular Weight":"204.07859","RT [min]":"10.623"},{"Metabolite":"Melatonin","Formula":"C13 H16 N2 O2","Molecular Weight":"232.11726","RT [min]":"2.234"},{"Metabolite":"meso-Tartaric acid","Formula":"C4 H6 O6","Molecular Weight":"150.01399","RT [min]":"5.893"},{"Metabolite":"Metalaxyl","Formula":"C15 H21 N O4","Molecular Weight":"279.14738","RT [min]":"5.057"},{"Metabolite":"Metamiton","Formula":"C10 H10 N4 O","Molecular Weight":"202.08563","RT [min]":"2.495"},{"Metabolite":"Metazachlor OXA","Formula":"C14 H15 N3 O3","Molecular Weight":"273.11156","RT [min]":"3.821"},{"Metabolite":"Metformin","Formula":"C4 H11 N5","Molecular Weight":"129.1016","RT [min]":"1.044"},{"Metabolite":"Methadone","Formula":"C21 H27 N O","Molecular Weight":"309.20934","RT [min]":"9.879"},{"Metabolite":"metharbital","Formula":"C9 H14 N2 O3","Molecular Weight":"198.10053","RT [min]":"3.408"},{"Metabolite":"Methohexital","Formula":"C14 H18 N2 O3","Molecular Weight":"262.13188","RT [min]":"5.743"},{"Metabolite":"methyl 3,4,5-trihydroxycyclohex-1-ene-1-carboxylate","Formula":"C8 H12 O5","Molecular Weight":"210.05058","RT [min]":"4.69"},{"Metabolite":"Methyl 6-isopropyl-2-oxooctahydro-2H-cyclohepta[b]furan-3-carboxylate","Formula":"C14 H22 O4","Molecular Weight":"254.15178","RT [min]":"10.234"},{"Metabolite":"Methyl alpha-aspartylphenylalaninate","Formula":"C14 H18 N2 O5","Molecular Weight":"294.1218","RT [min]":"5.436"},{"Metabolite":"Methyl isonicotinate","Formula":"C7 H7 N O2","Molecular Weight":"137.04781","RT [min]":"1.082"},{"Metabolite":"Methyl N-(tert-butoxycarbonyl)-L-leucinate","Formula":"C12 H23 N O4","Molecular Weight":"245.16286","RT [min]":"4.504"},{"Metabolite":"Methyl N-acetylglycylglycylglycinate","Formula":"C9 H15 N3 O5","Molecular Weight":"245.10131","RT [min]":"1.068"},{"Metabolite":"Methylimidazoleacetic acid","Formula":"C6 H8 N2 O2","Molecular Weight":"140.05871","RT [min]":"1.051"},{"Metabolite":"Metoprolol","Formula":"C15 H25 N O3","Molecular Weight":"267.18363","RT [min]":"6.562"},{"Metabolite":"Metronidazole","Formula":"C6 H9 N3 O3","Molecular Weight":"171.0644","RT [min]":"3.651"},{"Metabolite":"Metronidazole-OH","Formula":"C6 H9 N3 O4","Molecular Weight":"187.05942","RT [min]":"2.965"},{"Metabolite":"met-thr","Formula":"C9 H18 N2 O4 S","Molecular Weight":"250.0989","RT [min]":"2.706"},{"Metabolite":"Mirtazapine","Formula":"C17 H19 N3","Molecular Weight":"265.15804","RT [min]":"6.144"},{"Metabolite":"Monoolein","Formula":"C21 H40 O4","Molecular Weight":"356.29249","RT [min]":"11.161"},{"Metabolite":"Morphine","Formula":"C17 H19 N O3","Molecular Weight":"285.13677","RT [min]":"2.813"},{"Metabolite":"Morphine-3-glucuronide","Formula":"C23 H27 N O9","Molecular Weight":"461.16842","RT [min]":"2.83"},{"Metabolite":"Moxisylyte","Formula":"C16 H25 N O3","Molecular Weight":"279.18373","RT [min]":"3.654"},{"Metabolite":"Myristamide","Formula":"C14 H29 N O","Molecular Weight":"227.22492","RT [min]":"10.877"},{"Metabolite":"N-(2-Hydroxyethyl)heptadecanamide","Formula":"C19 H39 N O2","Molecular Weight":"313.29826","RT [min]":"10.33"},{"Metabolite":"N-(6-Aminohexanoyl)-6-aminohexanoate","Formula":"C12 H24 N2 O3","Molecular Weight":"244.17878","RT [min]":"5.672"},{"Metabolite":"N(alpha)-Benzyloxycarbonyl-L-leucine","Formula":"C14 H19 N O4","Molecular Weight":"265.13168","RT [min]":"4.964"},{"Metabolite":"N-(indol-3-ylacetyl)glutamine","Formula":"C15 H17 N3 O4","Molecular Weight":"303.12206","RT [min]":"6.416"},{"Metabolite":"N,N-Diisopropylethylamine (DIPEA)","Formula":"C8 H19 N","Molecular Weight":"129.15185","RT [min]":"4.356"},{"Metabolite":"N,N'-Diphenylguanidine","Formula":"C13 H13 N3","Molecular Weight":"211.11115","RT [min]":"5.665"},{"Metabolite":"N-[(2S)-2-Hydroxypropanoyl]methionine","Formula":"C8 H15 N O4 S","Molecular Weight":"221.07235","RT [min]":"2.512"},{"Metabolite":"N1-Acetylspermidine","Formula":"C9 H21 N3 O","Molecular Weight":"187.16851","RT [min]":"0.937"},{"Metabolite":"N1-Methyl-2-pyridone-5-carboxamide","Formula":"C7 H8 N2 O2","Molecular Weight":"152.0586","RT [min]":"2.846"},{"Metabolite":"N2-(D-1-Carboxyethyl)-L-lysine","Formula":"C9 H18 N2 O4","Molecular Weight":"218.12685","RT [min]":"3.926"},{"Metabolite":"N2-Acetyl-L-aminoadipate","Formula":"C8 H13 N O5","Molecular Weight":"203.07943","RT [min]":"3.626"},{"Metabolite":"N2-Acetyl-L-lysine","Formula":"C8 H16 N2 O3","Molecular Weight":"188.11613","RT [min]":"1.317"},{"Metabolite":"N2-Dimethylguanosine","Formula":"C12 H17 N5 O5","Molecular Weight":"311.12316","RT [min]":"4.339"},{"Metabolite":"N3,N4-Dimethyl-L-arginine","Formula":"C8 H18 N4 O2","Molecular Weight":"202.14312","RT [min]":"1.071"},{"Metabolite":"N4-Acetylcytidine","Formula":"C11 H15 N3 O6","Molecular Weight":"285.09636","RT [min]":"3.938"},{"Metabolite":"N4-Acetylsulfamethoxazole","Formula":"C12 H13 N3 O4 S","Molecular Weight":"295.06275","RT [min]":"7.848"},{"Metabolite":"N5-(L-1-Carboxyethyl)-L-ornithine","Formula":"C8 H16 N2 O4","Molecular Weight":"204.11114","RT [min]":"2.267"},{"Metabolite":"N6,N6,N6-Trimethyl-L-lysine","Formula":"C9 H20 N2 O2","Molecular Weight":"188.1525","RT [min]":"0.939"},{"Metabolite":"N6-Acetyl-L-lysine","Formula":"C8 H16 N2 O3","Molecular Weight":"188.1162","RT [min]":"1.076"},{"Metabolite":"N6-Acetyl-N6-hydroxy-L-lysine","Formula":"C8 H16 N2 O4","Molecular Weight":"204.11507","RT [min]":"9.941"},{"Metabolite":"N-ACETYL ZONISAMIDE","Formula":"C10 H10 N2 O4 S","Molecular Weight":"254.03649","RT [min]":"7.476"},{"Metabolite":"N-ACETYLASPARAGINE","Formula":"C6 H10 N2 O4","Molecular Weight":"174.06415","RT [min]":"1.014"},{"Metabolite":"N-Acetyl-L-citrulline","Formula":"C8 H15 N3 O4","Molecular Weight":"217.10634","RT [min]":"2.107"},{"Metabolite":"N-Acetylleucylleucine","Formula":"C14 H26 N2 O4","Molecular Weight":"286.18959","RT [min]":"1.158"},{"Metabolite":"N-Acetyl-L-glutamate5-semialdehyde","Formula":"C7 H11 N O4","Molecular Weight":"173.06888","RT [min]":"5.485"},{"Metabolite":"N-Acetyl-L-glutamicacid","Formula":"C7 H11 N O5","Molecular Weight":"189.06003","RT [min]":"6.046"},{"Metabolite":"N-Acetyl-L-histidine","Formula":"C8 H11 N3 O3","Molecular Weight":"197.08011","RT [min]":"1.106"},{"Metabolite":"N-Acetylornithine","Formula":"C7 H14 N2 O3","Molecular Weight":"174.10054","RT [min]":"1.107"},{"Metabolite":"N-Acetylserotonin","Formula":"C12 H14 N2 O2","Molecular Weight":"218.1057","RT [min]":"5.873"},{"Metabolite":"N-alpha-Acetylarginine","Formula":"C8 H16 N4 O3","Molecular Weight":"216.1233","RT [min]":"1.339"},{"Metabolite":"N-Benzylformamide","Formula":"C8 H9 N O","Molecular Weight":"135.06855","RT [min]":"2.862"},{"Metabolite":"N-Butyryl-L-homoserinelactone","Formula":"C8 H13 N O3","Molecular Weight":"171.08966","RT [min]":"1.427"},{"Metabolite":"NDA","Formula":"C10 H23 N","Molecular Weight":"157.18315","RT [min]":"8.108"},{"Metabolite":"N-Desmethylvenlafaxine","Formula":"C16 H25 N O2","Molecular Weight":"263.18861","RT [min]":"8.09"},{"Metabolite":"N-D-Glucosylarylamine","Formula":"C12 H17 N O5","Molecular Weight":"255.1108","RT [min]":"2.955"},{"Metabolite":"n-Hexanamide","Formula":"C6 H13 N O","Molecular Weight":"115.09991","RT [min]":"1.16"},{"Metabolite":"Nicotianamine","Formula":"C12 H21 N3 O6","Molecular Weight":"303.14331","RT [min]":"4.213"},{"Metabolite":"Nicotinuric acid","Formula":"C8 H8 N2 O3","Molecular Weight":"180.05353","RT [min]":"4.808"},{"Metabolite":"Nisoxetine","Formula":"C17 H21 N O2","Molecular Weight":"271.15737","RT [min]":"9.209"},{"Metabolite":"Nithiazide","Formula":"C6 H8 N4 O3 S","Molecular Weight":"216.0312","RT [min]":"5.487"},{"Metabolite":"Nitrosoheptamethyleneimine","Formula":"C7 H14 N2 O","Molecular Weight":"142.11076","RT [min]":"1.311"},{"Metabolite":"N-Methyl-2-pyrrolidone","Formula":"C5 H9 N O","Molecular Weight":"99.06861","RT [min]":"3.468"},{"Metabolite":"N-Methylanhalonine","Formula":"C13 H17 N O3","Molecular Weight":"235.12087","RT [min]":"4.389"},{"Metabolite":"N-Nitrosoguvacoline","Formula":"C7 H10 N2 O3","Molecular Weight":"170.06929","RT [min]":"1.139"},{"Metabolite":"Noradrenaline","Formula":"C8 H11 N O3","Molecular Weight":"169.07392","RT [min]":"3.398"},{"Metabolite":"Norketamine","Formula":"C12 H14 Cl N O","Molecular Weight":"206.05004","RT [min]":"5.839"},{"Metabolite":"N-palmitoylserinol","Formula":"C19 H39 N O3","Molecular Weight":"329.29289","RT [min]":"10.249"},{"Metabolite":"N-Propyldodecanamide","Formula":"C15 H31 N O","Molecular Weight":"241.24062","RT [min]":"10.912"},{"Metabolite":"n-Ribosylhistidine","Formula":"C11 H17 N3 O6","Molecular Weight":"287.11193","RT [min]":"2.252"},{"Metabolite":"N-Undecanoylglycine","Formula":"C13 H25 N O3","Molecular Weight":"243.18348","RT [min]":"10.261"},{"Metabolite":"O-(4,8-dimethylnonanoyl)carnitine","Formula":"C18 H35 N O4","Molecular Weight":"329.25673","RT [min]":"10.205"},{"Metabolite":"O-3-methylglutarylcarnitine","Formula":"C13 H23 N O6","Molecular Weight":"289.15281","RT [min]":"3.289"},{"Metabolite":"Octadecanoic acid","Formula":"C18 H36 O2","Molecular Weight":"284.27138","RT [min]":"11.528"},{"Metabolite":"Oleamide","Formula":"C18 H35 N O","Molecular Weight":"281.27191","RT [min]":"11.086"},{"Metabolite":"OLEOYL-GLYCEROL","Formula":"C21 H40 O4","Molecular Weight":"356.29233","RT [min]":"10.651"},{"Metabolite":"Olomoucine","Formula":"C15 H18 N6 O","Molecular Weight":"298.15459","RT [min]":"10.507"},{"Metabolite":"Omeprazole sulphone","Formula":"C17 H19 N3 O4 S","Molecular Weight":"361.10952","RT [min]":"9.539"},{"Metabolite":"Ondansetron","Formula":"C18 H19 N3 O","Molecular Weight":"293.15307","RT [min]":"7.2"},{"Metabolite":"OPHTHALMATE","Formula":"C11 H19 N3 O6","Molecular Weight":"289.12766","RT [min]":"2.719"},{"Metabolite":"ornithinoalanine","Formula":"C8 H17 N3 O4","Molecular Weight":"219.12201","RT [min]":"2.224"},{"Metabolite":"Orthophosphate","Formula":"H3 O4 P","Molecular Weight":"97.97712","RT [min]":"1.302"},{"Metabolite":"Oxepanone","Formula":"C6 H10 O2","Molecular Weight":"114.06821","RT [min]":"4.295"},{"Metabolite":"Oxido(dioxo)vanadium","Formula":"O3 V","Molecular Weight":"98.92804","RT [min]":"14.592"},{"Metabolite":"Oxohongdenafil","Formula":"C25 H32 N6 O4","Molecular Weight":"480.25478","RT [min]":"7.312"},{"Metabolite":"Oxycodone","Formula":"C18 H21 N O4","Molecular Weight":"315.14727","RT [min]":"4.471"},{"Metabolite":"Palmitoleic Acid","Formula":"C16 H30 O2","Molecular Weight":"276.20666","RT [min]":"10.552"},{"Metabolite":"Palmitoylcarnitine","Formula":"C23 H45 N O4","Molecular Weight":"399.33467","RT [min]":"10.426"},{"Metabolite":"Pantothenicacid(VitaminB5)","Formula":"C9 H17 N O5","Molecular Weight":"219.11086","RT [min]":"3.811"},{"Metabolite":"Paracetamol","Formula":"C8 H9 N O2","Molecular Weight":"151.06334","RT [min]":"4.004"},{"Metabolite":"p-dimethylinamyl benzoate","Formula":"C14 H21 N O2","Molecular Weight":"235.15725","RT [min]":"5.242"},{"Metabolite":"PEG n5","Formula":"C10 H22 O6","Molecular Weight":"238.14178","RT [min]":"4.692"},{"Metabolite":"PEG n6","Formula":"C12 H26 O7","Molecular Weight":"282.16806","RT [min]":"5.376"},{"Metabolite":"PEG n7","Formula":"C14 H30 O8","Molecular Weight":"326.19406","RT [min]":"5.962"},{"Metabolite":"PEG n8","Formula":"C16 H34 O9","Molecular Weight":"370.22022","RT [min]":"6.473"},{"Metabolite":"PEG-4","Formula":"C8 H18 O5","Molecular Weight":"194.11561","RT [min]":"3.858"},{"Metabolite":"Phenazone","Formula":"C11 H12 N2 O","Molecular Weight":"188.095","RT [min]":"6.664"},{"Metabolite":"Phenol","Formula":"C6 H6 O","Molecular Weight":"94.042","RT [min]":"2.143"},{"Metabolite":"Phenylacetaldehyde","Formula":"C8 H8 O","Molecular Weight":"120.05764","RT [min]":"2.133"},{"Metabolite":"Phenylglyoxylic acid","Formula":"C8 H6 O3","Molecular Weight":"150.03173","RT [min]":"4.964"},{"Metabolite":"Phenylisocyanate","Formula":"C7 H5 N O","Molecular Weight":"119.03726","RT [min]":"3.666"},{"Metabolite":"Phenylpyruvate","Formula":"C9 H8 O3","Molecular Weight":"164.04738","RT [min]":"2.143"},{"Metabolite":"Phthalic anhydride","Formula":"C8 H4 O3","Molecular Weight":"148.016","RT [min]":"10.618"},{"Metabolite":"Phylloquinone","Formula":"C31 H46 O2","Molecular Weight":"450.35537","RT [min]":"10.906"},{"Metabolite":"Pimilprost","Formula":"C23 H40 O5","Molecular Weight":"396.28728","RT [min]":"10.796"},{"Metabolite":"Pipecolinic acid","Formula":"C6 H11 N O2","Molecular Weight":"129.07913","RT [min]":"1.295"},{"Metabolite":"Piperideine","Formula":"C5 H9 N","Molecular Weight":"83.07375","RT [min]":"1.295"},{"Metabolite":"Piperidine","Formula":"C5 H11 N","Molecular Weight":"85.08934","RT [min]":"3.81"},{"Metabolite":"Piperine","Formula":"C17 H19 N O3","Molecular Weight":"285.13658","RT [min]":"10.437"},{"Metabolite":"Pitavastatin","Formula":"C23 H21 F N4 O3","Molecular Weight":"420.16076","RT [min]":"7.102"},{"Metabolite":"Porphobilinogen","Formula":"C10 H14 N2 O4","Molecular Weight":"226.09557","RT [min]":"3.654"},{"Metabolite":"Porphyrin","Formula":"C20 H14 N4","Molecular Weight":"310.11671","RT [min]":"3.867"},{"Metabolite":"Precocene II","Formula":"C13 H16 O3","Molecular Weight":"220.10998","RT [min]":"10.485"},{"Metabolite":"Prolylleucine","Formula":"C11 H20 N2 O3","Molecular Weight":"228.14753","RT [min]":"1.686"},{"Metabolite":"Promethazine sulfoxide","Formula":"C17 H20 N2 O S","Molecular Weight":"300.13003","RT [min]":"6.957"},{"Metabolite":"pronetalol","Formula":"C15 H19 N O","Molecular Weight":"229.15088","RT [min]":"2.667"},{"Metabolite":"Propionylcarnitine","Formula":"C10 H19 N O4","Molecular Weight":"217.13157","RT [min]":"2.309"},{"Metabolite":"Pulcherriminic acid","Formula":"C12 H20 N2 O4","Molecular Weight":"256.1424","RT [min]":"7.525"},{"Metabolite":"Pyridoxamine","Formula":"C8 H12 N2 O2","Molecular Weight":"168.09001","RT [min]":"3.513"},{"Metabolite":"Pyroglutamic Acid","Formula":"C5 H7 N O3","Molecular Weight":"129.04274","RT [min]":"5.666"},{"Metabolite":"Pyrrolidine","Formula":"C4 H9 N","Molecular Weight":"71.07374","RT [min]":"1.168"},{"Metabolite":"Pyrrolidine, 1-oleoyl-","Formula":"C22 H41 N O","Molecular Weight":"335.31868","RT [min]":"10.809"},{"Metabolite":"Quinic acid","Formula":"C7 H12 O6","Molecular Weight":"192.06076","RT [min]":"2.54"},{"Metabolite":"quinidinone","Formula":"C20 H22 N2 O2","Molecular Weight":"322.16801","RT [min]":"10.96"},{"Metabolite":"Quinoline","Formula":"C9 H7 N","Molecular Weight":"129.05794","RT [min]":"4.384"},{"Metabolite":"Retinol","Formula":"C20 H30 O","Molecular Weight":"286.22594","RT [min]":"9.678"},{"Metabolite":"Ropivacaine","Formula":"C17 H26 N2 O","Molecular Weight":"274.20476","RT [min]":"6.85"},{"Metabolite":"S-(5-histidyl)cysteine sulfoxide","Formula":"C9 H14 N4 O5 S","Molecular Weight":"290.0681","RT [min]":"4.746"},{"Metabolite":"S-ADENOSYLHOMOCYSTEINE","Formula":"C14 H20 N6 O5 S","Molecular Weight":"384.12154","RT [min]":"2.516"},{"Metabolite":"Salsolinol","Formula":"C10 H13 N O2","Molecular Weight":"179.09472","RT [min]":"4.514"},{"Metabolite":"SEROTONIN","Formula":"C10 H12 N2 O","Molecular Weight":"176.09504","RT [min]":"2.173"},{"Metabolite":"Shikimate","Formula":"C7 H10 O5","Molecular Weight":"174.05054","RT [min]":"0.954"},{"Metabolite":"Sinapylalcohol","Formula":"C11 H14 O4","Molecular Weight":"210.08695","RT [min]":"9.165"},{"Metabolite":"S-Methyl-1-thio-D-glycerate","Formula":"C4 H8 O3 S","Molecular Weight":"136.01954","RT [min]":"1.459"},{"Metabolite":"sn-glycero-3-Phosphocholine","Formula":"C8 H20 N O6 P","Molecular Weight":"257.10295","RT [min]":"1.002"},{"Metabolite":"Spermine","Formula":"C10 H26 N4","Molecular Weight":"202.21572","RT [min]":"0.943"},{"Metabolite":"S-Phenyl-D-cysteine","Formula":"C9 H11 N O2 S","Molecular Weight":"197.051","RT [min]":"5.039"},{"Metabolite":"Sphingosine","Formula":"C18 H37 N O2","Molecular Weight":"299.28249","RT [min]":"10.341"},{"Metabolite":"Spiroxamine","Formula":"C18 H35 N O2","Molecular Weight":"297.26688","RT [min]":"10.292"},{"Metabolite":"Succinic anhydride","Formula":"C4 H4 O3","Molecular Weight":"100.01625","RT [min]":"1.9"},{"Metabolite":"Sulfafurazole","Formula":"C11 H13 N3 O3 S","Molecular Weight":"267.06793","RT [min]":"4.595"},{"Metabolite":"Sulfamethoxazole","Formula":"C10 H11 N3 O3 S","Molecular Weight":"253.05207","RT [min]":"6.41"},{"Metabolite":"Sulfonylbismethane","Formula":"C2 H6 O2 S","Molecular Weight":"94.00908","RT [min]":"1.239"},{"Metabolite":"Sulforaphane","Formula":"C6 H11 N O S2","Molecular Weight":"177.02832","RT [min]":"7.069"},{"Metabolite":"Talampanel","Formula":"C19 H19 N3 O3","Molecular Weight":"337.14281","RT [min]":"6.13"},{"Metabolite":"Talampicillin","Formula":"C24 H23 N3 O6 S","Molecular Weight":"481.12815","RT [min]":"3.258"},{"Metabolite":"Taurohyocholate","Formula":"C26 H45 N O7 S","Molecular Weight":"515.28586","RT [min]":"11.36"},{"Metabolite":"Tazobactam","Formula":"C10 H12 N4 O5 S","Molecular Weight":"300.05309","RT [min]":"5.793"},{"Metabolite":"Tetraacetylethylenediamine","Formula":"C10 H16 N2 O4","Molecular Weight":"228.11117","RT [min]":"1.168"},{"Metabolite":"Tetralin","Formula":"C10 H12","Molecular Weight":"132.09397","RT [min]":"5.284"},{"Metabolite":"Theobromine","Formula":"C7 H8 N4 O2","Molecular Weight":"180.0648","RT [min]":"4.331"},{"Metabolite":"Theophylline","Formula":"C7 H8 N4 O2","Molecular Weight":"180.0648","RT [min]":"4.963"},{"Metabolite":"THTA","Formula":"C6 H10 O2 S","Molecular Weight":"146.04016","RT [min]":"2.186"},{"Metabolite":"Tolperisone","Formula":"C16 H23 N O","Molecular Weight":"245.17809","RT [min]":"8.546"},{"Metabolite":"tranexamic acid","Formula":"C8 H15 N O2","Molecular Weight":"157.11041","RT [min]":"4.778"},{"Metabolite":"trans-2-Dodecenoylcarnitine","Formula":"C19 H35 N O4","Molecular Weight":"341.25642","RT [min]":"10.213"},{"Metabolite":"trans-3-Indoleacrylic acid","Formula":"C11 H9 N O2","Molecular Weight":"187.06337","RT [min]":"4.385"},{"Metabolite":"Trans-Cinnamicacid","Formula":"C9 H8 O2","Molecular Weight":"148.0525","RT [min]":"3.062"},{"Metabolite":"Triethylene glycol","Formula":"C6 H14 O4","Molecular Weight":"150.08939","RT [min]":"2.839"},{"Metabolite":"Triisopropanolamine","Formula":"C9 H21 N O3","Molecular Weight":"191.15222","RT [min]":"1.307"},{"Metabolite":"Trilostane","Formula":"C20 H27 N O3","Molecular Weight":"329.19913","RT [min]":"9.929"},{"Metabolite":"trimethadione","Formula":"C6 H9 N O3","Molecular Weight":"143.05835","RT [min]":"2.762"},{"Metabolite":"Trimethoprim","Formula":"C14 H18 N4 O3","Molecular Weight":"290.138","RT [min]":"5.247"},{"Metabolite":"TrimethylamineN-oxide","Formula":"C3 H9 N O","Molecular Weight":"75.0686","RT [min]":"0.977"},{"Metabolite":"Trimethylsilyl N,O-bis(trimethylsilyl)serinate","Formula":"C12 H31 N O3 Si3","Molecular Weight":"321.1604","RT [min]":"10.935"},{"Metabolite":"Triphenylphosphine oxide","Formula":"C18 H15 O P","Molecular Weight":"278.08602","RT [min]":"10.287"},{"Metabolite":"Tris(hydroxymethyl)aminomethane","Formula":"C4 H11 N O3","Molecular Weight":"121.07409","RT [min]":"0.974"},{"Metabolite":"Trp-Phe","Formula":"C20 H21 N3 O3","Molecular Weight":"351.1584","RT [min]":"7.272"},{"Metabolite":"tyramine sulfate","Formula":"C8 H11 N O4 S","Molecular Weight":"217.04107","RT [min]":"2.425"},{"Metabolite":"Uracil","Formula":"C4 H4 N2 O2","Molecular Weight":"112.02747","RT [min]":"2.245"},{"Metabolite":"Uramil","Formula":"C4 H5 N3 O3","Molecular Weight":"143.0332","RT [min]":"2.963"},{"Metabolite":"Uric acid","Formula":"C5 H4 N4 O3","Molecular Weight":"168.02848","RT [min]":"1.79"},{"Metabolite":"Uridine","Formula":"C9 H12 N2 O6","Molecular Weight":"244.06969","RT [min]":"2.243"},{"Metabolite":"Valclavam","Formula":"C14 H23 N3 O6","Molecular Weight":"329.15853","RT [min]":"5.074"},{"Metabolite":"Valine","Formula":"C5 H11 N O2","Molecular Weight":"117.07908","RT [min]":"1.169"},{"Metabolite":"Valylvaline","Formula":"C10 H20 N2 O3","Molecular Weight":"216.14751","RT [min]":"1.362"},{"Metabolite":"Venlafaxine","Formula":"C17 H27 N O2","Molecular Weight":"277.20439","RT [min]":"8.037"},{"Metabolite":"Veronal","Formula":"C8 H12 N2 O3","Molecular Weight":"184.08487","RT [min]":"2.499"},{"Metabolite":"Vestitol","Formula":"C16 H16 O4","Molecular Weight":"272.10094","RT [min]":"1.189"},{"Metabolite":"Xanthine","Formula":"C5 H4 N4 O2","Molecular Weight":"152.03344","RT [min]":"2.201"},{"Metabolite":"Xanthohumol","Formula":"C21 H22 O5","Molecular Weight":"354.15253","RT [min]":"6.657"},{"Metabolite":"Zalcitabine","Formula":"C9 H13 N3 O3","Molecular Weight":"211.09588","RT [min]":"1.266"},{"Metabolite":"Zearalenone","Formula":"C18 H22 O5","Molecular Weight":"318.14669","RT [min]":"10.331"},{"Metabolite":"α-Aspartylphenylalanine","Formula":"C13 H16 N2 O5","Molecular Weight":"280.10612","RT [min]":"4.859"},{"Metabolite":"γ-Linolenic acid ethyl ester","Formula":"C20 H34 O2","Molecular Weight":"312.26644","RT [min]":"11.09"}]
}
}