{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001152","ANALYSIS_ID":"AN001900","VERSION":"1","CREATED_ON":"March 19, 2019, 4:59 pm"},

"PROJECT":{"PROJECT_TITLE":"Metabolomic Analysis of Liver Tissues for Characterization of Hepatocellular Carcinoma","PROJECT_SUMMARY":"Hepatocellular carcinoma (HCC) is the most common type of primary liver cancer causing more than half a million annual deaths world-wide. Understanding the molecular mechanisms contributing to HCC development and progression is highly desirable for improved surveillance, diagnosis and treatment. Liver tissue metabolomics has the potential to reflect the physiological changes behind HCC development. Also, it allows researchers to investigate racial disparities in HCC. The use of both gas chromatography – mass spectrometry (GC-MS) and liquid chromatography – mass spectrometry (LC-MS) platforms helps increase the metabolome coverage, allowing researchers to better unravel the relationships of metabolites and HCC. The objective of this study is to identify HCC-associated metabolites by analysis of liver tissues from HCC patients using both GC-MS and LC-MS platforms. Paired tumor and non-tumor tissues from 40 patients were analyzed by GC-MS and LC-MS. The patients consist of 14 African-Americans (AA), 10 Asian-Americans (AS), and 16 European-Americans (EA). The levels of the metabolites extracted from the solid liver tissue of the HCC area and adjacent non-HCC area were compared. Among the analytes detected by GC-MS and LC-MS with significant alterations, 17 were selected based on availability of putative metabolite identifications. These metabolites belong to TCA cycle, glycolysis, purines, and lipid metabolism, and have been previously reported in liver metabolomics studies where high correlation with HCC progression was implied. We demonstrated that metabolites that are related to HCC pathogenesis can be identified through metabolomics analysis of liver tissues by both GC-MS and LC-MS. In addition, this analysis has led to the identification of metabolites associated with HCC in a race-specific manner.","INSTITUTE":"Georgetown University","DEPARTMENT":"Oncology, Georgetown University Medical Center","LABORATORY":"Ressom Lab","LAST_NAME":"Ressom","FIRST_NAME":"Habtom","ADDRESS":"3970 Reservoir Rd., NW, Research Bldg, Room W325, Washington, DC, 20007, USA","EMAIL":"hwr@georgetown.edu","PHONE":"2026872283"},

"STUDY":{"STUDY_TITLE":"Metabolomic Analysis of Liver Tissues for Characterization of Hepatocellular Carcinoma","STUDY_SUMMARY":"Hepatocellular carcinoma (HCC) is the most common type of primary liver cancer causing more than half a million annual deaths world-wide. Understanding the molecular mechanisms contributing to HCC development and progression is highly desirable for improved surveillance, diagnosis and treatment. Liver tissue metabolomics has the potential to reflect the physiological changes behind HCC development. Also, it allows researchers to investigate racial disparities in HCC. The use of both gas chromatography – mass spectrometry (GC-MS) and liquid chromatography – mass spectrometry (LC-MS) platforms helps increase the metabolome coverage, allowing researchers to better unravel the relationships of metabolites and HCC. The objective of this study is to identify HCC-associated metabolites by analysis of liver tissues from HCC patients using both GC-MS and LC-MS platforms. Paired tumor and non-tumor tissues from 40 patients were analyzed by GC-MS and LC-MS. The patients consist of 14 African-Americans (AA), 10 Asian-Americans (AS), and 16 European-Americans (EA). The levels of the metabolites extracted from the solid liver tissue of the HCC area and adjacent non-HCC area were compared. Among the analytes detected by GC-MS and LC-MS with significant alterations, 17 were selected based on availability of putative metabolite identifications. These metabolites belong to TCA cycle, glycolysis, purines, and lipid metabolism, and have been previously reported in liver metabolomics studies where high correlation with HCC progression was implied. We demonstrated that metabolites that are related to HCC pathogenesis can be identified through metabolomics analysis of liver tissues by both GC-MS and LC-MS. In addition, this analysis has led to the identification of metabolites associated with HCC in a race-specific manner.","INSTITUTE":"Georgetown University","DEPARTMENT":"Oncology","LABORATORY":"Ressom Lab","LAST_NAME":"Di Poto","FIRST_NAME":"Cristina","ADDRESS":"3970 Reservoir Rd. NW, Research Bldg., Room W325","EMAIL":"cd329@georgetown.edu","PHONE":"2026872926","NUM_GROUPS":"4","TOTAL_SUBJECTS":"40"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"HCC/CIRR 01",
"Sample ID":"HCC/CIRR 01_HCC/C",
"Factors":{"Group":"HCC/C","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"A18_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_22","LCMSPos Data Name":"POS_22"}
},
{
"Subject ID":"HCC/CIRR 01",
"Sample ID":"HCC/CIRR 01_ADJ/C",
"Factors":{"Group":"ADJ/C","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"A20_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_21","LCMSPos Data Name":"POS_21"}
},
{
"Subject ID":"HCC/CIRR 02",
"Sample ID":"HCC/CIRR 02_HCC/C",
"Factors":{"Group":"HCC/C","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"A21_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_28","LCMSPos Data Name":"POS_28"}
},
{
"Subject ID":"HCC/CIRR 02",
"Sample ID":"HCC/CIRR 02_ADJ/C",
"Factors":{"Group":"ADJ/C","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"A14_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_27","LCMSPos Data Name":"POS_27"}
},
{
"Subject ID":"HCC/CIRR 03",
"Sample ID":"HCC/CIRR 03_HCC/C",
"Factors":{"Group":"HCC/C","RACE":"White"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"A13_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_34","LCMSPos Data Name":"POS_34"}
},
{
"Subject ID":"HCC/CIRR 03",
"Sample ID":"HCC/CIRR 03_ADJ/C",
"Factors":{"Group":"ADJ/C","RACE":"White"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"A07_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_33","LCMSPos Data Name":"POS_33"}
},
{
"Subject ID":"HCC/CIRR 04",
"Sample ID":"HCC/CIRR 04_HCC/C",
"Factors":{"Group":"HCC/C","RACE":"White"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"A05_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_37","LCMSPos Data Name":"POS_37"}
},
{
"Subject ID":"HCC/CIRR 04",
"Sample ID":"HCC/CIRR 04_ADJ/C",
"Factors":{"Group":"ADJ/C","RACE":"White"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"A06_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_36","LCMSPos Data Name":"POS_36"}
},
{
"Subject ID":"HCC/CIRR 05",
"Sample ID":"HCC/CIRR 05_HCC/C",
"Factors":{"Group":"HCC/C","RACE":"White"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"A03_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_41","LCMSPos Data Name":"POS_41"}
},
{
"Subject ID":"HCC/CIRR 05",
"Sample ID":"HCC/CIRR 05_ADJ/C",
"Factors":{"Group":"ADJ/C","RACE":"White"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"A02_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_40","LCMSPos Data Name":"POS_40"}
},
{
"Subject ID":"HCC/CIRR 06",
"Sample ID":"HCC/CIRR 06_HCC/C",
"Factors":{"Group":"HCC/C","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"B-13_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_48","LCMSPos Data Name":"POS_48"}
},
{
"Subject ID":"HCC/CIRR 06",
"Sample ID":"HCC/CIRR 06_ADJ/C",
"Factors":{"Group":"ADJ/C","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"B-19_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_47","LCMSPos Data Name":"POS_47"}
},
{
"Subject ID":"HCC/CIRR 07",
"Sample ID":"HCC/CIRR 07_HCC/C",
"Factors":{"Group":"HCC/C","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"B-09_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_54","LCMSPos Data Name":"POS_54"}
},
{
"Subject ID":"HCC/CIRR 07",
"Sample ID":"HCC/CIRR 07_ADJ/C",
"Factors":{"Group":"ADJ/C","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"B-21_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_53","LCMSPos Data Name":"POS_53"}
},
{
"Subject ID":"HCC/CIRR 08",
"Sample ID":"HCC/CIRR 08_HCC/C",
"Factors":{"Group":"HCC/C","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"B-01_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_60","LCMSPos Data Name":"POS_60"}
},
{
"Subject ID":"HCC/CIRR 08",
"Sample ID":"HCC/CIRR 08_ADJ/C",
"Factors":{"Group":"ADJ/C","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"B-10_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_59","LCMSPos Data Name":"POS_59"}
},
{
"Subject ID":"HCC/CIRR 09",
"Sample ID":"HCC/CIRR 09_HCC/C",
"Factors":{"Group":"HCC/C","RACE":"White"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"B-06_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_63","LCMSPos Data Name":"POS_63"}
},
{
"Subject ID":"HCC/CIRR 09",
"Sample ID":"HCC/CIRR 09_ADJ/C",
"Factors":{"Group":"ADJ/C","RACE":"White"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"B-17_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_62","LCMSPos Data Name":"POS_62"}
},
{
"Subject ID":"HCC/CIRR 10",
"Sample ID":"HCC/CIRR 10_HCC/C",
"Factors":{"Group":"HCC/C","RACE":"White"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"B-11_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_67","LCMSPos Data Name":"POS_67"}
},
{
"Subject ID":"HCC/CIRR 10",
"Sample ID":"HCC/CIRR 10_ADJ/C",
"Factors":{"Group":"ADJ/C","RACE":"White"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"B-05_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_66","LCMSPos Data Name":"POS_66"}
},
{
"Subject ID":"HCC/NOR 01",
"Sample ID":"HCC/NOR 01_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"White"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"A09_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_25","LCMSPos Data Name":"POS_25"}
},
{
"Subject ID":"HCC/NOR 01",
"Sample ID":"HCC/NOR 01_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"White"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"A08_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_24","LCMSPos Data Name":"POS_24"}
},
{
"Subject ID":"HCC/NOR 02",
"Sample ID":"HCC/NOR 02_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"White"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"A04_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_31","LCMSPos Data Name":"POS_31"}
},
{
"Subject ID":"HCC/NOR 02",
"Sample ID":"HCC/NOR 02_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"White"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"A15_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_30","LCMSPos Data Name":"POS_30"}
},
{
"Subject ID":"HCC/NOR 03",
"Sample ID":"HCC/NOR 03_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"A16_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_39","LCMSPos Data Name":"POS_39"}
},
{
"Subject ID":"HCC/NOR 03",
"Sample ID":"HCC/NOR 03_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"A09_2","LCMS Batch":"1","LCMSNeg Data Name":"NEG_38","LCMSPos Data Name":"POS_38"}
},
{
"Subject ID":"HCC/NOR 04",
"Sample ID":"HCC/NOR 04_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"B-14_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_51","LCMSPos Data Name":"POS_51"}
},
{
"Subject ID":"HCC/NOR 04",
"Sample ID":"HCC/NOR 04_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"B-07_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_50","LCMSPos Data Name":"POS_50"}
},
{
"Subject ID":"HCC/NOR 05",
"Sample ID":"HCC/NOR 05_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"White"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"B-15_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_57","LCMSPos Data Name":"-"}
},
{
"Subject ID":"HCC/NOR 05",
"Sample ID":"HCC/NOR 05_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"White"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"B-12_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_56","LCMSPos Data Name":"POS_56"}
},
{
"Subject ID":"HCC/NOR 06",
"Sample ID":"HCC/NOR 06_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"White"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"B-08_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_65","LCMSPos Data Name":"POS_65"}
},
{
"Subject ID":"HCC/NOR 06",
"Sample ID":"HCC/NOR 06_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"White"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"B-18_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_64","LCMSPos Data Name":"POS_64"}
},
{
"Subject ID":"HCC/NOR 07",
"Sample ID":"HCC/NOR 07_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"3","GCMS Data Name":"C-19_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_74","LCMSPos Data Name":"POS_74"}
},
{
"Subject ID":"HCC/NOR 07",
"Sample ID":"HCC/NOR 07_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"3","GCMS Data Name":"C-02_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_73","LCMSPos Data Name":"POS_73"}
},
{
"Subject ID":"HCC/NOR 08",
"Sample ID":"HCC/NOR 08_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"3","GCMS Data Name":"C-08_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_77","LCMSPos Data Name":"POS_77"}
},
{
"Subject ID":"HCC/NOR 08",
"Sample ID":"HCC/NOR 08_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"3","GCMS Data Name":"C-03_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_76","LCMSPos Data Name":"POS_76"}
},
{
"Subject ID":"HCC/NOR 09",
"Sample ID":"HCC/NOR 09_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"White"},
"Additional sample data":{"GCMS Batch":"3","GCMS Data Name":"C-06_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_80","LCMSPos Data Name":"POS_80"}
},
{
"Subject ID":"HCC/NOR 09",
"Sample ID":"HCC/NOR 09_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"White"},
"Additional sample data":{"GCMS Batch":"3","GCMS Data Name":"C-07_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_79","LCMSPos Data Name":"POS_79"}
},
{
"Subject ID":"HCC/NOR 10",
"Sample ID":"HCC/NOR 10_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"3","GCMS Data Name":"C-11_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_83","LCMSPos Data Name":"POS_83"}
},
{
"Subject ID":"HCC/NOR 10",
"Sample ID":"HCC/NOR 10_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"3","GCMS Data Name":"C-14_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_82","LCMSPos Data Name":"-"}
},
{
"Subject ID":"HCC/NOR 11",
"Sample ID":"HCC/NOR 11_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"White"},
"Additional sample data":{"GCMS Batch":"3","GCMS Data Name":"C-17_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_85","LCMSPos Data Name":"POS_85"}
},
{
"Subject ID":"HCC/NOR 11",
"Sample ID":"HCC/NOR 11_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"White"},
"Additional sample data":{"GCMS Batch":"3","GCMS Data Name":"C-16_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_84","LCMSPos Data Name":"-"}
},
{
"Subject ID":"HCC/NOR 12",
"Sample ID":"HCC/NOR 12_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"3","GCMS Data Name":"C-09_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_88","LCMSPos Data Name":"POS_88"}
},
{
"Subject ID":"HCC/NOR 12",
"Sample ID":"HCC/NOR 12_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"3","GCMS Data Name":"C-01_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_87","LCMSPos Data Name":"POS_87"}
},
{
"Subject ID":"HCC/NOR 13",
"Sample ID":"HCC/NOR 13_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"White"},
"Additional sample data":{"GCMS Batch":"3","GCMS Data Name":"C-12_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_91","LCMSPos Data Name":"POS_91"}
},
{
"Subject ID":"HCC/NOR 13",
"Sample ID":"HCC/NOR 13_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"White"},
"Additional sample data":{"GCMS Batch":"3","GCMS Data Name":"C-18_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_90","LCMSPos Data Name":"POS_90"}
},
{
"Subject ID":"HCC/NOR 14",
"Sample ID":"HCC/NOR 14_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"White"},
"Additional sample data":{"GCMS Batch":"3","GCMS Data Name":"C-05_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_93","LCMSPos Data Name":"POS_93"}
},
{
"Subject ID":"HCC/NOR 14",
"Sample ID":"HCC/NOR 14_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"White"},
"Additional sample data":{"GCMS Batch":"3","GCMS Data Name":"C-20_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_92","LCMSPos Data Name":"POS_92"}
},
{
"Subject ID":"HCC/NOR 15",
"Sample ID":"HCC/NOR 15_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"White"},
"Additional sample data":{"GCMS Batch":"4","GCMS Data Name":"D-04_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_100","LCMSPos Data Name":"POS_100"}
},
{
"Subject ID":"HCC/NOR 15",
"Sample ID":"HCC/NOR 15_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"White"},
"Additional sample data":{"GCMS Batch":"4","GCMS Data Name":"D-07_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_99","LCMSPos Data Name":"POS_99"}
},
{
"Subject ID":"HCC/NOR 16",
"Sample ID":"HCC/NOR 16_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"4","GCMS Data Name":"D-08_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_103","LCMSPos Data Name":"POS_103"}
},
{
"Subject ID":"HCC/NOR 16",
"Sample ID":"HCC/NOR 16_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"4","GCMS Data Name":"D-16_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_102","LCMSPos Data Name":"POS_102"}
},
{
"Subject ID":"HCC/NOR 17",
"Sample ID":"HCC/NOR 17_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"Asian"},
"Additional sample data":{"GCMS Batch":"4","GCMS Data Name":"D-18_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_106","LCMSPos Data Name":"POS_106"}
},
{
"Subject ID":"HCC/NOR 17",
"Sample ID":"HCC/NOR 17_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"Asian"},
"Additional sample data":{"GCMS Batch":"4","GCMS Data Name":"D-19_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_105","LCMSPos Data Name":"POS_105"}
},
{
"Subject ID":"HCC/NOR 18",
"Sample ID":"HCC/NOR 18_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"White"},
"Additional sample data":{"GCMS Batch":"4","GCMS Data Name":"D-21_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_108","LCMSPos Data Name":"POS_108"}
},
{
"Subject ID":"HCC/NOR 18",
"Sample ID":"HCC/NOR 18_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"White"},
"Additional sample data":{"GCMS Batch":"4","GCMS Data Name":"D-15_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_107","LCMSPos Data Name":"POS_107"}
},
{
"Subject ID":"HCC/NOR 19",
"Sample ID":"HCC/NOR 19_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"4","GCMS Data Name":"D-12_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_111","LCMSPos Data Name":"POS_111"}
},
{
"Subject ID":"HCC/NOR 19",
"Sample ID":"HCC/NOR 19_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"4","GCMS Data Name":"D-14_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_110","LCMSPos Data Name":"POS_110"}
},
{
"Subject ID":"HCC/NOR 20",
"Sample ID":"HCC/NOR 20_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"White"},
"Additional sample data":{"GCMS Batch":"4","GCMS Data Name":"D-17_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_114","LCMSPos Data Name":"POS_114"}
},
{
"Subject ID":"HCC/NOR 20",
"Sample ID":"HCC/NOR 20_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"White"},
"Additional sample data":{"GCMS Batch":"4","GCMS Data Name":"D-10_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_113","LCMSPos Data Name":"POS_113"}
},
{
"Subject ID":"HCC/NOR 21",
"Sample ID":"HCC/NOR 21_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"4","GCMS Data Name":"D-11_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_117","LCMSPos Data Name":"POS_117"}
},
{
"Subject ID":"HCC/NOR 21",
"Sample ID":"HCC/NOR 21_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"Black"},
"Additional sample data":{"GCMS Batch":"4","GCMS Data Name":"D-05_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_116","LCMSPos Data Name":"POS_116"}
},
{
"Subject ID":"HCC/NOR 22",
"Sample ID":"HCC/NOR 22_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"Asian"},
"Additional sample data":{"GCMS Batch":"4","GCMS Data Name":"D-09_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_119","LCMSPos Data Name":"POS_119"}
},
{
"Subject ID":"HCC/NOR 22",
"Sample ID":"HCC/NOR 22_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"Asian"},
"Additional sample data":{"GCMS Batch":"4","GCMS Data Name":"D-03_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_118","LCMSPos Data Name":"POS_118"}
},
{
"Subject ID":"HCC/NOR 23",
"Sample ID":"HCC/NOR 23_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"Asian"},
"Additional sample data":{"GCMS Batch":"5","GCMS Data Name":"E-08_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_126","LCMSPos Data Name":"POS_126"}
},
{
"Subject ID":"HCC/NOR 23",
"Sample ID":"HCC/NOR 23_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"Asian"},
"Additional sample data":{"GCMS Batch":"5","GCMS Data Name":"E-20_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_125","LCMSPos Data Name":"POS_125"}
},
{
"Subject ID":"HCC/NOR 24",
"Sample ID":"HCC/NOR 24_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"Asian"},
"Additional sample data":{"GCMS Batch":"5","GCMS Data Name":"E-04_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_129","LCMSPos Data Name":"POS_129"}
},
{
"Subject ID":"HCC/NOR 24",
"Sample ID":"HCC/NOR 24_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"Asian"},
"Additional sample data":{"GCMS Batch":"5","GCMS Data Name":"E-10_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_128","LCMSPos Data Name":"POS_128"}
},
{
"Subject ID":"HCC/NOR 25",
"Sample ID":"HCC/NOR 25_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"Asian"},
"Additional sample data":{"GCMS Batch":"5","GCMS Data Name":"E-02_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_132","LCMSPos Data Name":"POS_132"}
},
{
"Subject ID":"HCC/NOR 25",
"Sample ID":"HCC/NOR 25_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"Asian"},
"Additional sample data":{"GCMS Batch":"5","GCMS Data Name":"E-07_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_131","LCMSPos Data Name":"POS_131"}
},
{
"Subject ID":"HCC/NOR 26",
"Sample ID":"HCC/NOR 26_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"Asian"},
"Additional sample data":{"GCMS Batch":"5","GCMS Data Name":"E-01_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_135","LCMSPos Data Name":"POS_135"}
},
{
"Subject ID":"HCC/NOR 26",
"Sample ID":"HCC/NOR 26_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"Asian"},
"Additional sample data":{"GCMS Batch":"5","GCMS Data Name":"E-16_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_134","LCMSPos Data Name":"POS_134"}
},
{
"Subject ID":"HCC/NOR 27",
"Sample ID":"HCC/NOR 27_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"Asian"},
"Additional sample data":{"GCMS Batch":"5","GCMS Data Name":"E-19_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_138","LCMSPos Data Name":"POS_138"}
},
{
"Subject ID":"HCC/NOR 27",
"Sample ID":"HCC/NOR 27_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"Asian"},
"Additional sample data":{"GCMS Batch":"5","GCMS Data Name":"E-17_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_137","LCMSPos Data Name":"POS_137"}
},
{
"Subject ID":"HCC/NOR 28",
"Sample ID":"HCC/NOR 28_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"Asian"},
"Additional sample data":{"GCMS Batch":"5","GCMS Data Name":"E-13_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_140","LCMSPos Data Name":"POS_140"}
},
{
"Subject ID":"HCC/NOR 28",
"Sample ID":"HCC/NOR 28_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"Asian"},
"Additional sample data":{"GCMS Batch":"5","GCMS Data Name":"E-06_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_139","LCMSPos Data Name":"POS_139"}
},
{
"Subject ID":"HCC/NOR 29",
"Sample ID":"HCC/NOR 29_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"Asian"},
"Additional sample data":{"GCMS Batch":"5","GCMS Data Name":"E-15_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_143","LCMSPos Data Name":"POS_143"}
},
{
"Subject ID":"HCC/NOR 29",
"Sample ID":"HCC/NOR 29_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"Asian"},
"Additional sample data":{"GCMS Batch":"5","GCMS Data Name":"E-11_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_142","LCMSPos Data Name":"POS_142"}
},
{
"Subject ID":"HCC/NOR 30",
"Sample ID":"HCC/NOR 30_HCC/N",
"Factors":{"Group":"HCC/N","RACE":"Asian"},
"Additional sample data":{"GCMS Batch":"5","GCMS Data Name":"E-21_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_145","LCMSPos Data Name":"POS_145"}
},
{
"Subject ID":"HCC/NOR 30",
"Sample ID":"HCC/NOR 30_ADJ/N",
"Factors":{"Group":"ADJ/N","RACE":"Asian"},
"Additional sample data":{"GCMS Batch":"5","GCMS Data Name":"E-05_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_144","LCMSPos Data Name":"POS_144"}
},
{
"Subject ID":"-",
"Sample ID":"Blank_A",
"Factors":{"Group":"Blank","RACE":"-"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"Blank_A_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_4","LCMSPos Data Name":"POS_4"}
},
{
"Subject ID":"-",
"Sample ID":"Blank_B",
"Factors":{"Group":"Blank","RACE":"-"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"Blank_B_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_5","LCMSPos Data Name":"POS_5"}
},
{
"Subject ID":"-",
"Sample ID":"Blank_C",
"Factors":{"Group":"Blank","RACE":"-"},
"Additional sample data":{"GCMS Batch":"3","GCMS Data Name":"Blank_C_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_6","LCMSPos Data Name":"POS_6"}
},
{
"Subject ID":"-",
"Sample ID":"Blank_D",
"Factors":{"Group":"Blank","RACE":"-"},
"Additional sample data":{"GCMS Batch":"4","GCMS Data Name":"Blank_D_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_7","LCMSPos Data Name":"POS_7"}
},
{
"Subject ID":"-",
"Sample ID":"Blank_E",
"Factors":{"Group":"Blank","RACE":"-"},
"Additional sample data":{"GCMS Batch":"5","GCMS Data Name":"Blank_E_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_8","LCMSPos Data Name":"POS_8"}
},
{
"Subject ID":"-",
"Sample ID":"QC_HCC/C_1",
"Factors":{"Group":"QC_HCC/C","RACE":"-"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"QC_HCC_C_1_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_17","LCMSPos Data Name":"POS_17"}
},
{
"Subject ID":"-",
"Sample ID":"QC_HCC/C_2",
"Factors":{"Group":"QC_HCC/C","RACE":"-"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"QC_HCC_C_2_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_43","LCMSPos Data Name":"POS_43"}
},
{
"Subject ID":"-",
"Sample ID":"QC_HCC/C_3",
"Factors":{"Group":"QC_HCC/C","RACE":"-"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"QC_HCC_C_3_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_69","LCMSPos Data Name":"POS_69"}
},
{
"Subject ID":"-",
"Sample ID":"QC_HCC/C_4",
"Factors":{"Group":"QC_HCC/C","RACE":"-"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"QC_HCC_C_4_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_95","LCMSPos Data Name":"POS_95"}
},
{
"Subject ID":"-",
"Sample ID":"QC_HCC/C_5",
"Factors":{"Group":"QC_HCC/C","RACE":"-"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"QC_HCC_C_5_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_121","LCMSPos Data Name":"POS_121"}
},
{
"Subject ID":"-",
"Sample ID":"QC_HCC/C_6",
"Factors":{"Group":"QC_HCC/C","RACE":"-"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"QC_HCC_C_6_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_147","LCMSPos Data Name":"POS_147"}
},
{
"Subject ID":"-",
"Sample ID":"QC_HCC/N_1",
"Factors":{"Group":"QC_HCC/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"QC_HCC_N_1_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_20","LCMSPos Data Name":"POS_20"}
},
{
"Subject ID":"-",
"Sample ID":"QC_HCC/N_2",
"Factors":{"Group":"QC_HCC/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"QC_HCC_N_2_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_46","LCMSPos Data Name":"POS_46"}
},
{
"Subject ID":"-",
"Sample ID":"QC_HCC/N_3",
"Factors":{"Group":"QC_HCC/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"QC_HCC_N_3_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_72","LCMSPos Data Name":"POS_72"}
},
{
"Subject ID":"-",
"Sample ID":"QC_HCC/N_4",
"Factors":{"Group":"QC_HCC/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"QC_HCC_N_4_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_98","LCMSPos Data Name":"POS_98"}
},
{
"Subject ID":"-",
"Sample ID":"QC_HCC/N_5",
"Factors":{"Group":"QC_HCC/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"QC_HCC_N_5_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_124","LCMSPos Data Name":"POS_124"}
},
{
"Subject ID":"-",
"Sample ID":"QC_HCC/N_6",
"Factors":{"Group":"QC_HCC/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"QC_HCC_N_6_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_150","LCMSPos Data Name":"POS_150"}
},
{
"Subject ID":"-",
"Sample ID":"QC_HCC/N_7",
"Factors":{"Group":"QC_HCC/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"3","GCMS Data Name":"QC_HCC_N_7_1","LCMS Batch":"1","LCMSNeg Data Name":"-","LCMSPos Data Name":"-"}
},
{
"Subject ID":"-",
"Sample ID":"QC_HCC/N_8",
"Factors":{"Group":"QC_HCC/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"3","GCMS Data Name":"QC_HCC_N_8_1","LCMS Batch":"1","LCMSNeg Data Name":"-","LCMSPos Data Name":"-"}
},
{
"Subject ID":"-",
"Sample ID":"QC_HCC/N_9",
"Factors":{"Group":"QC_HCC/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"3","GCMS Data Name":"QC_HCC_N_9_1","LCMS Batch":"1","LCMSNeg Data Name":"-","LCMSPos Data Name":"-"}
},
{
"Subject ID":"-",
"Sample ID":"QC_HCC/N_10",
"Factors":{"Group":"QC_HCC/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"4","GCMS Data Name":"QC_HCC_N_10_1","LCMS Batch":"1","LCMSNeg Data Name":"-","LCMSPos Data Name":"-"}
},
{
"Subject ID":"-",
"Sample ID":"QC_HCC/N_11",
"Factors":{"Group":"QC_HCC/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"4","GCMS Data Name":"QC_HCC_N_11_1","LCMS Batch":"1","LCMSNeg Data Name":"-","LCMSPos Data Name":"-"}
},
{
"Subject ID":"-",
"Sample ID":"QC_HCC/N_12",
"Factors":{"Group":"QC_HCC/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"4","GCMS Data Name":"QC_HCC_N_12_1","LCMS Batch":"1","LCMSNeg Data Name":"-","LCMSPos Data Name":"-"}
},
{
"Subject ID":"-",
"Sample ID":"QC_HCC/N_13",
"Factors":{"Group":"QC_HCC/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"5","GCMS Data Name":"QC_HCC_N_13_1","LCMS Batch":"1","LCMSNeg Data Name":"-","LCMSPos Data Name":"-"}
},
{
"Subject ID":"-",
"Sample ID":"QC_HCC/N_14",
"Factors":{"Group":"QC_HCC/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"5","GCMS Data Name":"QC_HCC_N_14_1","LCMS Batch":"1","LCMSNeg Data Name":"-","LCMSPos Data Name":"-"}
},
{
"Subject ID":"-",
"Sample ID":"QC_HCC/N_15",
"Factors":{"Group":"QC_HCC/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"5","GCMS Data Name":"QC_HCC_N_15_1","LCMS Batch":"1","LCMSNeg Data Name":"-","LCMSPos Data Name":"-"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ADJ/C_1",
"Factors":{"Group":"QC_ADJ/C","RACE":"-"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"QC_ADJ_C_1_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_16","LCMSPos Data Name":"-"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ADJ/C_2",
"Factors":{"Group":"QC_ADJ/C","RACE":"-"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"QC_ADJ_C_2_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_42","LCMSPos Data Name":"POS_42"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ADJ/C_3",
"Factors":{"Group":"QC_ADJ/C","RACE":"-"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"QC_ADJ_C_3_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_68","LCMSPos Data Name":"POS_68"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ADJ/C_4",
"Factors":{"Group":"QC_ADJ/C","RACE":"-"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"QC_ADJ_C_4_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_94","LCMSPos Data Name":"POS_94"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ADJ/C_5",
"Factors":{"Group":"QC_ADJ/C","RACE":"-"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"QC_ADJ_C_5_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_120","LCMSPos Data Name":"POS_120"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ADJ/C_6",
"Factors":{"Group":"QC_ADJ/C","RACE":"-"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"QC_ADJ_C_6_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_146","LCMSPos Data Name":"POS_146"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ADJ/N_1",
"Factors":{"Group":"QC_ADJ/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"QC_ADJ_N_1_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_19","LCMSPos Data Name":"POS_19"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ADJ/N_2",
"Factors":{"Group":"QC_ADJ/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"QC_ADJ_N_2_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_45","LCMSPos Data Name":"POS_45"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ADJ/N_3",
"Factors":{"Group":"QC_ADJ/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"1","GCMS Data Name":"QC_ADJ_N_3_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_71","LCMSPos Data Name":"POS_71"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ADJ/N_4",
"Factors":{"Group":"QC_ADJ/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"QC_ADJ_N_4_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_97","LCMSPos Data Name":"POS_97"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ADJ/N_5",
"Factors":{"Group":"QC_ADJ/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"QC_ADJ_N_5_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_123","LCMSPos Data Name":"POS_123"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ADJ/N_6",
"Factors":{"Group":"QC_ADJ/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"2","GCMS Data Name":"QC_ADJ_N_6_1","LCMS Batch":"1","LCMSNeg Data Name":"NEG_149","LCMSPos Data Name":"POS_149"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ADJ/N_7",
"Factors":{"Group":"QC_ADJ/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"3","GCMS Data Name":"QC_ADJ_N_7_1","LCMS Batch":"1","LCMSNeg Data Name":"-","LCMSPos Data Name":"-"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ADJ/N_8",
"Factors":{"Group":"QC_ADJ/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"3","GCMS Data Name":"QC_ADJ_N_8_1","LCMS Batch":"1","LCMSNeg Data Name":"-","LCMSPos Data Name":"-"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ADJ/N_9",
"Factors":{"Group":"QC_ADJ/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"3","GCMS Data Name":"QC_ADJ_N_9_1","LCMS Batch":"1","LCMSNeg Data Name":"-","LCMSPos Data Name":"-"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ADJ/N_10",
"Factors":{"Group":"QC_ADJ/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"4","GCMS Data Name":"QC_ADJ_N_10_1","LCMS Batch":"1","LCMSNeg Data Name":"-","LCMSPos Data Name":"-"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ADJ/N_11",
"Factors":{"Group":"QC_ADJ/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"4","GCMS Data Name":"QC_ADJ_N_11_1","LCMS Batch":"1","LCMSNeg Data Name":"-","LCMSPos Data Name":"-"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ADJ/N_12",
"Factors":{"Group":"QC_ADJ/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"4","GCMS Data Name":"QC_ADJ_N_12_1","LCMS Batch":"1","LCMSNeg Data Name":"-","LCMSPos Data Name":"-"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ADJ/N_13",
"Factors":{"Group":"QC_ADJ/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"5","GCMS Data Name":"QC_ADJ_N_13_1","LCMS Batch":"1","LCMSNeg Data Name":"-","LCMSPos Data Name":"-"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ADJ/N_14",
"Factors":{"Group":"QC_ADJ/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"5","GCMS Data Name":"QC_ADJ_N_14_1","LCMS Batch":"1","LCMSNeg Data Name":"-","LCMSPos Data Name":"-"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ADJ/N_15",
"Factors":{"Group":"QC_ADJ/N","RACE":"-"},
"Additional sample data":{"GCMS Batch":"5","GCMS Data Name":"QC_ADJ_N_15_1","LCMS Batch":"1","LCMSNeg Data Name":"-","LCMSPos Data Name":"-"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Adult patients were recruited at MedStar Georgetown University Hospital (MGUH). All participants provided informed consent to a protocol approved by the Institutional Review Board (IRB) at Georgetown University. Following the participant’s informed consent signature and enrollment, tissue samples were collected at the time of the surgical procedure and stored under liquid nitrogen until the day of metabolite extraction. HCC cases were diagnosed based on well-established diagnostic imaging criteria and/or histology. Clinical stages for HCC cases were determined based on the TNM staging system.","SAMPLE_TYPE":"Liver"},

"TREATMENT":{"TREATMENT_SUMMARY":"Tissue samples were collected at the time of the surgical procedure and stored under liquid nitrogen until the day of metabolite extraction."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"10 mg of liver tissue was homogenized on ice with 1 mL of pre-chilled methanol:water (1:1) containing five internal standards: 0.001 ppm debrisoquine, 0.004 ppm 4-nitro benzoic acid, 0.0004 ppb stearoyl (d35)-2-hydroxy-glycerophosphocholine, 0.2 ppb D-erythro-sphingosine (d7)-1-phosphate, and 2 ppm Myristic-d27 acid. Homogenized samples were centrifuged at 14.500 g, at 4°C for 15 minutes. Supernatant (S1) was collected and divided in two aliquots (one for GC-MS and one for LC-MS analysis), while the remaining pellet (P1) was kept at -80°C until further extraction. For the extraction of medium to polar compounds, 1:1 volume of pre-chilled acetonitrile was added to the two aliquots (GC&LC), vortex-mixed and kept on ice for 20 minutes. Samples were centrifuged again at 14.500 g, at 4°C for 15 minutes, and supernatant (S2) was collected and concentrated to dryness in a speedvac system operated at room temperature. Pellets (P2 and P3) and supernatants were stored at -80°C. For the extraction of low-polar compounds, P1 was resuspended with 500μl of pre-chilled dichloromethane:methanol (3:1) while P2, and P3 with 125 μL of the same mix. Pellets were sonicated on ice for 90sec, combined and centrifuged at 14.500 g, at 4°C for 20 minutes. Supernatant (S3) was collected, split in two aliquots (one for GC-MS and one for LC-MS analysis) and a 1:1 volume of pre-chilled acetonitrile was added to both aliquots (GC&LC), vortexed and kept on ice for 20 minutes. Samples were then centrifuged at 14.500 g for 15 min at 4°C while pellets were kept at -80 °C for protein quantitation. Finally, supernatants (S4) were concentrated to dryness by speedvac and kept at -80°C until the day of analysis. Blank samples were prepared together with the human samples by adding all the reagents to an empty tube and following the same sample preparation steps. Dried supernatant (S2) collected for GC-MS analysis underwent derivatization step. Samples were derivatized in each batch prior to injection following a two-stage process of oximation and trimethylsilylation (-Si(CH3)3). Briefly, 20µL of a 20mg/mL methoxyamine hydrochloride in pyridine were added to the dried extracts, vortexed and incubated at 30°C for 90 minutes. After returning the samples to room temperature, 80µL of MSTFA were added, vortex-mixed and incubated at 30°C for 30 minutes. Samples were then centrifuged at 14,500 g for 15 minutes, and 60µL of the supernatant were transferred into 250µL clear glass autosampler vials. Finally, 20µL of 0.006 µg/µL C18 Methyl Stearate in hexane were added to the vial prior to injection. For quality assessment, Myristic-d27 acid was spiked into the working solution to verify tissue metabolites extraction and derivatization steps. C18 Methyl Stearate was added just before GC-MS analysis to monitor each sample injection. QC samples (QCs) were generated by pooling together the supernatant obtained after derivatization of samples of each biological group in each batch separately. A retention index (RI) standard sample was prepared by mixing fatty acid methyl esters (FAMEs) with alkanes. Specifically, FAMEs C8, C9, C10, C12, C14, C16, C18, C20, C22, C24, C26, C28 and C30 linear chain length were individually dissolved in chloroform at concentrations of 0.8 mg/mL (C8 – C16) and 0.4 mg/ml (C18 – C30) to generate FAME-1 stock solutions. 100 µL of each FAME-1 were mixed together and 1.2 mL of chloroform were added for a final volume of 2.5mL generating FAME-2 solution. Alkanes, containing all even CnH2n+2 from C10 to C40, were purchased as a mixture at a concentration of 50mg/L in n-heptane. Alkane mixture were mixed with FAME-2 markers and hexane at a ratio of 1:2:17 and vortex-mixed prior to injection into the GC-MS. Dried supernatants (S2 & S4) collected from the first and second extraction for LC-MS analysis were reconstituted with 125 μL of methanol:acetonitrile:water (50:25:25) each, and combined for a total volume of 250 μL. d35-lysophosphocholine and d7-sphingosine-1-phosphate were included to determine the quality of the metabolite extraction. Debrisoquine and 4-nitrobenzoic acid were used to assess equipment performance. QCs were generated by pooling together the supernatant obtained after resuspension in appropriate solvent of each biological group."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Agilent 7890A","COLUMN_NAME":"Agilent DB5-MS (30m x 0.25mm, 0.25um)"},

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

"MS":{"INSTRUMENT_NAME":"Leco Pegasus HT TOF","INSTRUMENT_TYPE":"GC-TOF","MS_TYPE":"EI","ION_MODE":"POSITIVE","MS_COMMENTS":"Software Chromatof","MS_RESULTS_FILE":"ST001152_AN001900_Results.txt UNITS:Da Has m/z:Neutral masses Has RT:Yes RT units:Seconds"}

}