{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002536","ANALYSIS_ID":"AN004174","VERSION":"1","CREATED_ON":"March 31, 2023, 7:47 am"},

"PROJECT":{"PROJECT_TITLE":"Effectors enabling adaptation to mitochondrial complex I loss in Hürthle cell carcinoma","PROJECT_SUMMARY":"Oncocytic (Hürthle cell) carcinoma of the thyroid (HCC) is genetically characterized by complex I mitochondrial DNA mutations and widespread chromosomal losses. In this project, RNA-seq and metabolomics were used to identify candidate molecular effectors activated by these genetic drivers.","INSTITUTE":"Broad Institute of MIT and Harvard","DEPARTMENT":"Metabolomics Platform","LAST_NAME":"Clish","FIRST_NAME":"Clary","ADDRESS":"415 Main Street, Cambridge, MA, 02142, USA","EMAIL":"clary@broadinstitute.org","PHONE":"617-714-7654","FUNDING_SOURCE":"Inflammatory Bowel Disease Grant DK043351, Boston Area Diabetes and Endocrinology Research Center (BADERC) Award DK057521, the Bertarelli Rare Cancers Fund, the Elizabeth and Michael Ruane family, 2T32DK007028-46, NIH K00CA212468, NIH K12CA087723, and the Howard Hughes Medical Institute","PUBLICATIONS":"submitted","CONTRIBUTORS":"Raj K. Gopal, Venkata R. Vantaku, Apekshya Panda, Bryn Reimer, Sneha Rath, Tsz-Leung To, Adam S. Fisch, Murat Cetinbas, Maia Livneh, Michael J. Calcaterra, Benjamin J. Gigliotti, Kerry Pierce, Clary B. Clish, Dora Dias-Santagata, Peter M. Sadow, Lori J. Wirth, Gilbert H. Daniels, Ruslan I. Sadreyev, Sarah E. Calvo, Sareh Parangi, Vamsi K. Mootha"},

"STUDY":{"STUDY_TITLE":"Effectors enabling adaptation to mitochondrial complex I loss in Hürthle cell carcinoma","STUDY_TYPE":"comparison of tumor versus normal tissue","STUDY_SUMMARY":"With the goal of performing RNA-seq and metabolomic profiling, a cohort of fresh frozen oncocytic (Hürthle cell) thyroid carcinoma (HCC) samples was established with confirmation of mtDNA mutation status and chromosomal copy number. This cohort contained 24 oncocytic (Hürthle cell) tumors with 18 cases having matched normal thyroid tissue. Tumor samples included 21 primary tumors comprised of 19 HCC (8 widely invasive, 11 minimally invasive) and 2 oncocytic (Hürthle cell) adenomas as well as 2 locoregional recurrences (LR) and 1 distant metastasis (DM). HCC samples were collected and stored as part of the Mass General Brigham Institutional Review Board (protocol number 2008P001466). Frozen tissue was accessed to create the cohort used in the study.","INSTITUTE":"Broad Institute of MIT and Harvard","DEPARTMENT":"Metabolomics Platform","LAST_NAME":"Clish","FIRST_NAME":"Clary","ADDRESS":"415 Main Street, Cambridge, MA, 02142, USA","EMAIL":"clary@broadinstitute.org","PHONE":"617-714-7654","NUM_GROUPS":"2","TOTAL_SUBJECTS":"tumors from 24 subjects and matched normal tissue from a subset of 18 subjects","NUM_MALES":"N/A","NUM_FEMALES":"N/A"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","GENDER":"Male and female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"HC001",
"Sample ID":"HC001_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"27","Vol. water added  for homogenization (uL)":"108","RAW_FILE_NAME":"0001_MOO_GOP_TC_HP-HC001_T.RAW","RAW_FILE_NAME":"0001_MOO_TC_HN_HC001_T.RAW","RAW_FILE_NAME":"0001_MOO_GOP_TC_CP-HC001_T.RAW","RAW_FILE_NAME":"0043c_0001re_MOO_GOP_TC_CN-HC001_T.RAW"}
},
{
"Subject ID":"HC001",
"Sample ID":"HC001_N",
"Factors":{"Tissue type":"normal"},
"Additional sample data":{"mass (mg)":"43","Vol. water added  for homogenization (uL)":"172","RAW_FILE_NAME":"0002_MOO_GOP_TC_HP-HC001_N.RAW","RAW_FILE_NAME":"0002_MOO_TC_HN_HC001_N.RAW","RAW_FILE_NAME":"0002_MOO_GOP_TC_CP-HC001_N.RAW","RAW_FILE_NAME":"0002_MOO_GOP_TC_CN-HC001_N.RAW"}
},
{
"Subject ID":"HC002",
"Sample ID":"HC002_N",
"Factors":{"Tissue type":"normal"},
"Additional sample data":{"mass (mg)":"49","Vol. water added  for homogenization (uL)":"196","RAW_FILE_NAME":"0003_MOO_GOP_TC_HP-HC002_N.RAW","RAW_FILE_NAME":"0003_MOO_TC_HN_HC002_N.RAW","RAW_FILE_NAME":"0003_MOO_GOP_TC_CP-HC002_N.RAW","RAW_FILE_NAME":"0003_MOO_GOP_TC_CN-HC002_N.RAW"}
},
{
"Subject ID":"HC002",
"Sample ID":"HC002_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"63","Vol. water added  for homogenization (uL)":"252","RAW_FILE_NAME":"0004_MOO_GOP_TC_HP-HC002_T.RAW","RAW_FILE_NAME":"0004_MOO_TC_HN_HC002_T.RAW","RAW_FILE_NAME":"0004_MOO_GOP_TC_CP-HC002_T.RAW","RAW_FILE_NAME":"0004_MOO_GOP_TC_CN-HC002_T.RAW"}
},
{
"Subject ID":"HC003",
"Sample ID":"HC003_N",
"Factors":{"Tissue type":"normal"},
"Additional sample data":{"mass (mg)":"15","Vol. water added  for homogenization (uL)":"100","RAW_FILE_NAME":"0006_MOO_GOP_TC_HP-HC003_N.RAW","RAW_FILE_NAME":"0006_MOO_TC_HN_HC003_N.RAW","RAW_FILE_NAME":"0006_MOO_GOP_TC_CP-HC003_N.RAW","RAW_FILE_NAME":"0006_MOO_GOP_TC_CN-HC003_N.RAW"}
},
{
"Subject ID":"HC003",
"Sample ID":"HC003_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"37","Vol. water added  for homogenization (uL)":"148","RAW_FILE_NAME":"0005_MOO_GOP_TC_HP-HC003_T.RAW","RAW_FILE_NAME":"0005_MOO_TC_HN_HC003_T.RAW","RAW_FILE_NAME":"0005_MOO_GOP_TC_CP-HC003_T.RAW","RAW_FILE_NAME":"0005_MOO_GOP_TC_CN-HC003_T.RAW"}
},
{
"Subject ID":"HC004",
"Sample ID":"HC004_N",
"Factors":{"Tissue type":"normal"},
"Additional sample data":{"mass (mg)":"11","Vol. water added  for homogenization (uL)":"100","RAW_FILE_NAME":"0007_MOO_GOP_TC_HP-HC004_N.RAW","RAW_FILE_NAME":"0007_MOO_TC_HN_HC004_N.RAW","RAW_FILE_NAME":"0007_MOO_GOP_TC_CP-HC004_N.RAW","RAW_FILE_NAME":"0007_MOO_GOP_TC_CN-HC004_N.RAW"}
},
{
"Subject ID":"HC004",
"Sample ID":"HC004_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"39","Vol. water added  for homogenization (uL)":"156","RAW_FILE_NAME":"0008_MOO_GOP_TC_HP-HC004_T.RAW","RAW_FILE_NAME":"0008_MOO_TC_HN_HC004_T.RAW","RAW_FILE_NAME":"0008_MOO_GOP_TC_CP-HC004_T.RAW","RAW_FILE_NAME":"0008_MOO_GOP_TC_CN-HC004_T.RAW"}
},
{
"Subject ID":"HC005",
"Sample ID":"HC005_N",
"Factors":{"Tissue type":"normal"},
"Additional sample data":{"mass (mg)":"9","Vol. water added  for homogenization (uL)":"100","RAW_FILE_NAME":"0009_MOO_GOP_TC_HP-HC005_N.RAW","RAW_FILE_NAME":"0009_MOO_TC_HN_HC005_N.RAW","RAW_FILE_NAME":"0009_MOO_GOP_TC_CP-HC005_N.RAW","RAW_FILE_NAME":"0009_MOO_GOP_TC_CN-HC005_N.RAW"}
},
{
"Subject ID":"HC005",
"Sample ID":"HC005_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"7","Vol. water added  for homogenization (uL)":"100","RAW_FILE_NAME":"0010_MOO_GOP_TC_HP-HC005_T.RAW","RAW_FILE_NAME":"0010_MOO_TC_HN_HC005_T.RAW","RAW_FILE_NAME":"0010_MOO_GOP_TC_CP-HC005_T.RAW","RAW_FILE_NAME":"0010_MOO_GOP_TC_CN-HC005_T.RAW"}
},
{
"Subject ID":"HC006",
"Sample ID":"HC006_N",
"Factors":{"Tissue type":"normal"},
"Additional sample data":{"mass (mg)":"41","Vol. water added  for homogenization (uL)":"164","RAW_FILE_NAME":"0011_MOO_GOP_TC_HP-HC006_N.RAW","RAW_FILE_NAME":"0011_MOO_TC_HN_HC006_N.RAW","RAW_FILE_NAME":"0011_MOO_GOP_TC_CP-HC006_N.RAW","RAW_FILE_NAME":"0011_MOO_GOP_TC_CN-HC006_N.RAW"}
},
{
"Subject ID":"HC006",
"Sample ID":"HC006_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"34","Vol. water added  for homogenization (uL)":"136","RAW_FILE_NAME":"0012_MOO_GOP_TC_HP-HC006_T.RAW","RAW_FILE_NAME":"0012_MOO_TC_HN_HC006_T.RAW","RAW_FILE_NAME":"0012_MOO_GOP_TC_CP-HC006_T.RAW","RAW_FILE_NAME":"0012_MOO_GOP_TC_CN-HC006_T.RAW"}
},
{
"Subject ID":"HC007",
"Sample ID":"HC007_N",
"Factors":{"Tissue type":"normal"},
"Additional sample data":{"mass (mg)":"29","Vol. water added  for homogenization (uL)":"116","RAW_FILE_NAME":"0013_MOO_GOP_TC_HP-HC007_N.RAW","RAW_FILE_NAME":"0013_MOO_TC_HN_HC007_N.RAW","RAW_FILE_NAME":"0013_MOO_GOP_TC_CP-HC007_N.RAW","RAW_FILE_NAME":"0013_MOO_GOP_TC_CN-HC007_N.RAW"}
},
{
"Subject ID":"HC007",
"Sample ID":"HC007_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"32","Vol. water added  for homogenization (uL)":"128","RAW_FILE_NAME":"0014_MOO_GOP_TC_HP-HC007_T.RAW","RAW_FILE_NAME":"0014_MOO_TC_HN_HC007_T.RAW","RAW_FILE_NAME":"0014_MOO_GOP_TC_CP-HC007_T.RAW","RAW_FILE_NAME":"0014_MOO_GOP_TC_CN-HC007_T.RAW"}
},
{
"Subject ID":"HC008",
"Sample ID":"HC008_N",
"Factors":{"Tissue type":"normal"},
"Additional sample data":{"mass (mg)":"30","Vol. water added  for homogenization (uL)":"120","RAW_FILE_NAME":"0016_MOO_GOP_TC_HP-HC008_N.RAW","RAW_FILE_NAME":"0016_MOO_TC_HN_HC008_N.RAW","RAW_FILE_NAME":"0016_MOO_GOP_TC_CP-HC008_N.RAW","RAW_FILE_NAME":"0016_MOO_GOP_TC_CN-HC008_N.RAW"}
},
{
"Subject ID":"HC008",
"Sample ID":"HC008_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"32","Vol. water added  for homogenization (uL)":"128","RAW_FILE_NAME":"0015_MOO_GOP_TC_HP-HC008_T.RAW","RAW_FILE_NAME":"0015_MOO_TC_HN_HC008_T.RAW","RAW_FILE_NAME":"0015_MOO_GOP_TC_CP-HC008_T.RAW","RAW_FILE_NAME":"0015_MOO_GOP_TC_CN-HC008_T.RAW"}
},
{
"Subject ID":"HC009",
"Sample ID":"HC009_N",
"Factors":{"Tissue type":"normal"},
"Additional sample data":{"mass (mg)":"42","Vol. water added  for homogenization (uL)":"168","RAW_FILE_NAME":"0018_MOO_GOP_TC_HP-HC009_N.RAW","RAW_FILE_NAME":"0018_MOO_TC_HN_HC009_N.RAW","RAW_FILE_NAME":"0018_MOO_GOP_TC_CP-HC009_N.RAW","RAW_FILE_NAME":"0018_MOO_GOP_TC_CN-HC009_N.RAW"}
},
{
"Subject ID":"HC009",
"Sample ID":"HC009_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"68","Vol. water added  for homogenization (uL)":"272","RAW_FILE_NAME":"0017_MOO_GOP_TC_HP-HC009_T.RAW","RAW_FILE_NAME":"0017_MOO_TC_HN_HC009_T.RAW","RAW_FILE_NAME":"0017_MOO_GOP_TC_CP-HC009_T.RAW","RAW_FILE_NAME":"0017_MOO_GOP_TC_CN-HC009_T.RAW"}
},
{
"Subject ID":"HC010",
"Sample ID":"HC010_N",
"Factors":{"Tissue type":"normal"},
"Additional sample data":{"mass (mg)":"31","Vol. water added  for homogenization (uL)":"124","RAW_FILE_NAME":"0020_MOO_GOP_TC_HP-HC010_N.RAW","RAW_FILE_NAME":"0020_MOO_TC_HN_HC010_N.RAW","RAW_FILE_NAME":"0020_MOO_GOP_TC_CP-HC010_N.RAW","RAW_FILE_NAME":"0020_MOO_GOP_TC_CN-HC010_N.RAW"}
},
{
"Subject ID":"HC010",
"Sample ID":"HC010_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"24","Vol. water added  for homogenization (uL)":"100","RAW_FILE_NAME":"0019_MOO_GOP_TC_HP-HC010_T.RAW","RAW_FILE_NAME":"0019_MOO_TC_HN_HC010_T.RAW","RAW_FILE_NAME":"0019_MOO_GOP_TC_CP-HC010_T.RAW","RAW_FILE_NAME":"0019_MOO_GOP_TC_CN-HC010_T.RAW"}
},
{
"Subject ID":"HC011",
"Sample ID":"HC011_N",
"Factors":{"Tissue type":"normal"},
"Additional sample data":{"mass (mg)":"41","Vol. water added  for homogenization (uL)":"164","RAW_FILE_NAME":"0021_MOO_GOP_TC_HP-HC011_N.RAW","RAW_FILE_NAME":"0021_MOO_TC_HN_HC011_N.RAW","RAW_FILE_NAME":"0021_MOO_GOP_TC_CP-HC011_N.RAW","RAW_FILE_NAME":"0021_MOO_GOP_TC_CN-HC011_N.RAW"}
},
{
"Subject ID":"HC011",
"Sample ID":"HC011_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"43","Vol. water added  for homogenization (uL)":"172","RAW_FILE_NAME":"0022_MOO_GOP_TC_HP-HC011_T.RAW","RAW_FILE_NAME":"0022_MOO_TC_HN_HC011_T.RAW","RAW_FILE_NAME":"0022_MOO_GOP_TC_CP-HC011_T.RAW","RAW_FILE_NAME":"0022_MOO_GOP_TC_CN-HC011_T.RAW"}
},
{
"Subject ID":"HC012",
"Sample ID":"HC012_N",
"Factors":{"Tissue type":"normal"},
"Additional sample data":{"mass (mg)":"46","Vol. water added  for homogenization (uL)":"184","RAW_FILE_NAME":"0024_MOO_GOP_TC_HP-HC012_N.RAW","RAW_FILE_NAME":"0024_MOO_TC_HN_HC012_N.RAW","RAW_FILE_NAME":"0024_MOO_GOP_TC_CP-HC012_N.RAW","RAW_FILE_NAME":"0024_MOO_GOP_TC_CN-HC012_N.RAW"}
},
{
"Subject ID":"HC012",
"Sample ID":"HC012_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"45","Vol. water added  for homogenization (uL)":"180","RAW_FILE_NAME":"0023_MOO_GOP_TC_HP-HC012_T.RAW","RAW_FILE_NAME":"0023_MOO_TC_HN_HC012_T.RAW","RAW_FILE_NAME":"0023_MOO_GOP_TC_CP-HC012_T.RAW","RAW_FILE_NAME":"0023_MOO_GOP_TC_CN-HC012_T.RAW"}
},
{
"Subject ID":"HC013",
"Sample ID":"HC013_N",
"Factors":{"Tissue type":"normal"},
"Additional sample data":{"mass (mg)":"45","Vol. water added  for homogenization (uL)":"180","RAW_FILE_NAME":"0025_MOO_GOP_TC_HP-HC013_N.RAW","RAW_FILE_NAME":"0025_MOO_TC_HN_HC013_N.RAW","RAW_FILE_NAME":"0025_MOO_GOP_TC_CP-HC013_N.RAW","RAW_FILE_NAME":"0025_MOO_GOP_TC_CN-HC013_N.RAW"}
},
{
"Subject ID":"HC013",
"Sample ID":"HC013_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"36","Vol. water added  for homogenization (uL)":"144","RAW_FILE_NAME":"0026_MOO_GOP_TC_HP-HC013_T.RAW","RAW_FILE_NAME":"0026_MOO_TC_HN_HC013_T.RAW","RAW_FILE_NAME":"0026_MOO_GOP_TC_CP-HC013_T.RAW","RAW_FILE_NAME":"0026_MOO_GOP_TC_CN-HC013_T.RAW"}
},
{
"Subject ID":"HC014",
"Sample ID":"HC014_N",
"Factors":{"Tissue type":"normal"},
"Additional sample data":{"mass (mg)":"38","Vol. water added  for homogenization (uL)":"152","RAW_FILE_NAME":"0028_MOO_GOP_TC_HP-HC014_N.RAW","RAW_FILE_NAME":"0028_MOO_TC_HN_HC014_N.RAW","RAW_FILE_NAME":"0028_MOO_GOP_TC_CP-HC014_N.RAW","RAW_FILE_NAME":"0028_MOO_GOP_TC_CN-HC014_N.RAW"}
},
{
"Subject ID":"HC014",
"Sample ID":"HC014_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"59","Vol. water added  for homogenization (uL)":"236","RAW_FILE_NAME":"0027_MOO_GOP_TC_HP-HC014_T.RAW","RAW_FILE_NAME":"0027_MOO_TC_HN_HC014_T.RAW","RAW_FILE_NAME":"0027_MOO_GOP_TC_CP-HC014_T.RAW","RAW_FILE_NAME":"0027_MOO_GOP_TC_CN-HC014_T.RAW"}
},
{
"Subject ID":"HC015",
"Sample ID":"HC015_N",
"Factors":{"Tissue type":"normal"},
"Additional sample data":{"mass (mg)":"31","Vol. water added  for homogenization (uL)":"124","RAW_FILE_NAME":"0030_MOO_GOP_TC_HP-HC015_N.RAW","RAW_FILE_NAME":"0030_MOO_TC_HN_HC015_N.RAW","RAW_FILE_NAME":"0030_MOO_GOP_TC_CP-HC015_N.RAW","RAW_FILE_NAME":"0030_MOO_GOP_TC_CN-HC015_N.RAW"}
},
{
"Subject ID":"HC015",
"Sample ID":"HC015_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"29","Vol. water added  for homogenization (uL)":"116","RAW_FILE_NAME":"0029_MOO_GOP_TC_HP-HC015_T.RAW","RAW_FILE_NAME":"0029_MOO_TC_HN_HC015_T.RAW","RAW_FILE_NAME":"0029_MOO_GOP_TC_CP-HC015_T.RAW","RAW_FILE_NAME":"0029_MOO_GOP_TC_CN-HC015_T.RAW"}
},
{
"Subject ID":"HC016",
"Sample ID":"HC016_N",
"Factors":{"Tissue type":"normal"},
"Additional sample data":{"mass (mg)":"25","Vol. water added  for homogenization (uL)":"100","RAW_FILE_NAME":"0032_MOO_GOP_TC_HP-HC016_N.RAW","RAW_FILE_NAME":"0032_MOO_TC_HN_HC016_N.RAW","RAW_FILE_NAME":"0032_MOO_GOP_TC_CP-HC016_N.RAW","RAW_FILE_NAME":"0032_MOO_GOP_TC_CN-HC016_N.RAW"}
},
{
"Subject ID":"HC016",
"Sample ID":"HC016_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"50","Vol. water added  for homogenization (uL)":"200","RAW_FILE_NAME":"0031_MOO_GOP_TC_HP-HC016_T.RAW","RAW_FILE_NAME":"0031_MOO_TC_HN_HC016_T.RAW","RAW_FILE_NAME":"0031_MOO_GOP_TC_CP-HC016_T.RAW","RAW_FILE_NAME":"0031_MOO_GOP_TC_CN-HC016_T.RAW"}
},
{
"Subject ID":"HC017",
"Sample ID":"HC017_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"49","Vol. water added  for homogenization (uL)":"196","RAW_FILE_NAME":"0033_MOO_GOP_TC_HP-HC017_T.RAW","RAW_FILE_NAME":"0033_MOO_TC_HN_HC017_T.RAW","RAW_FILE_NAME":"0033_MOO_GOP_TC_CP-HC017_T.RAW","RAW_FILE_NAME":"0033_MOO_GOP_TC_CN-HC017_T.RAW"}
},
{
"Subject ID":"HC018",
"Sample ID":"HC018_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"51","Vol. water added  for homogenization (uL)":"204","RAW_FILE_NAME":"0034_MOO_GOP_TC_HP-HC018_T.RAW","RAW_FILE_NAME":"0034_MOO_TC_HN_HC018_T.RAW","RAW_FILE_NAME":"0034_MOO_GOP_TC_CP-HC018_T.RAW","RAW_FILE_NAME":"0034_MOO_GOP_TC_CN-HC018_T.RAW"}
},
{
"Subject ID":"HC019",
"Sample ID":"HC019_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"45","Vol. water added  for homogenization (uL)":"180","RAW_FILE_NAME":"0035_MOO_GOP_TC_HP-HC019_T.RAW","RAW_FILE_NAME":"0035_MOO_TC_HN_HC019_T.RAW","RAW_FILE_NAME":"0035_MOO_GOP_TC_CP-HC019_T.RAW","RAW_FILE_NAME":"0035_MOO_GOP_TC_CN-HC019_T.RAW"}
},
{
"Subject ID":"HC020",
"Sample ID":"HC020_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"55","Vol. water added  for homogenization (uL)":"220","RAW_FILE_NAME":"0036_MOO_GOP_TC_HP-HC020_T.RAW","RAW_FILE_NAME":"0036_MOO_TC_HN_HC020_T.RAW","RAW_FILE_NAME":"0036_MOO_GOP_TC_CP-HC020_T.RAW","RAW_FILE_NAME":"0036_MOO_GOP_TC_CN-HC020_T.RAW"}
},
{
"Subject ID":"HC021",
"Sample ID":"HC021_N",
"Factors":{"Tissue type":"normal"},
"Additional sample data":{"mass (mg)":"39","Vol. water added  for homogenization (uL)":"156","RAW_FILE_NAME":"0038_MOO_GOP_TC_HP-HC021_N.RAW","RAW_FILE_NAME":"0038_MOO_TC_HN_HC021_N.RAW","RAW_FILE_NAME":"0038_MOO_GOP_TC_CP-HC021_N.RAW","RAW_FILE_NAME":"0038_MOO_GOP_TC_CN-HC021_N.RAW"}
},
{
"Subject ID":"HC021",
"Sample ID":"HC021_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"29","Vol. water added  for homogenization (uL)":"116","RAW_FILE_NAME":"0037_MOO_GOP_TC_HP-HC021_T.RAW","RAW_FILE_NAME":"0037_MOO_TC_HN_HC021_T.RAW","RAW_FILE_NAME":"0037_MOO_GOP_TC_CP-HC021_T.RAW","RAW_FILE_NAME":"0037_MOO_GOP_TC_CN-HC021_T.RAW"}
},
{
"Subject ID":"HC022",
"Sample ID":"HC022_N",
"Factors":{"Tissue type":"normal"},
"Additional sample data":{"mass (mg)":"19","Vol. water added  for homogenization (uL)":"100","RAW_FILE_NAME":"0039_MOO_GOP_TC_HP-HC022_N.RAW","RAW_FILE_NAME":"0039_MOO_TC_HN_HC022_N.RAW","RAW_FILE_NAME":"0039_MOO_GOP_TC_CP-HC022_N.RAW","RAW_FILE_NAME":"0039_MOO_GOP_TC_CN-HC022_N.RAW"}
},
{
"Subject ID":"HC022",
"Sample ID":"HC022_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"46","Vol. water added  for homogenization (uL)":"184","RAW_FILE_NAME":"0040_MOO_GOP_TC_HP-HC022_T.RAW","RAW_FILE_NAME":"0040_MOO_TC_HN_HC022_T_180119152600.RAW","RAW_FILE_NAME":"0040_MOO_GOP_TC_CP-HC022_T.RAW","RAW_FILE_NAME":"0040_MOO_GOP_TC_CN-HC022_T.RAW"}
},
{
"Subject ID":"HC023",
"Sample ID":"HC023_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"45","Vol. water added  for homogenization (uL)":"180","RAW_FILE_NAME":"0041_MOO_GOP_TC_HP-HC023_T.RAW","RAW_FILE_NAME":"0041_MOO_TC_HN_HC023_T.RAW","RAW_FILE_NAME":"0041_MOO_GOP_TC_CP-HC023_T.RAW","RAW_FILE_NAME":"0041_MOO_GOP_TC_CN-HC023_T.RAW"}
},
{
"Subject ID":"HC024",
"Sample ID":"HC024_T",
"Factors":{"Tissue type":"tumor"},
"Additional sample data":{"mass (mg)":"54","Vol. water added  for homogenization (uL)":"216","RAW_FILE_NAME":"0042_MOO_GOP_TC_HP-HC024_T.RAW","RAW_FILE_NAME":"0042_MOO_TC_HN_HC024_T.RAW","RAW_FILE_NAME":"0042_MOO_GOP_TC_CP-HC024_T.RAW","RAW_FILE_NAME":"0042_MOO_GOP_TC_CN-HC024_T.RAW"}
},
{
"Subject ID":"Polled_QC",
"Sample ID":"PREFA1",
"Factors":{"Tissue type":"pooled homogenate QC"},
"Additional sample data":{"mass (mg)":"NA","Vol. water added  for homogenization (uL)":"NA","RAW_FILE_NAME":"0000e_MOO_GOP_TC_HP-PPREFA1.RAW","RAW_FILE_NAME":"0000c_MOO_TC_HN_PREFA01.RAW","RAW_FILE_NAME":"0000c_MOO_GOP_TC_CP-PREFA01.RAW","RAW_FILE_NAME":"0043a_0000rea_MOO_GOP_TC_CN-PREFA01.RAW"}
},
{
"Subject ID":"Polled_QC",
"Sample ID":"PREFA2",
"Factors":{"Tissue type":"pooled homogenate QC"},
"Additional sample data":{"mass (mg)":"NA","Vol. water added  for homogenization (uL)":"NA","RAW_FILE_NAME":"0020a_MOO_GOP_TC_HP-PPREFA2.RAW","RAW_FILE_NAME":"0021a_MOO_TC_HN_PREFA02.RAW","RAW_FILE_NAME":"0020a_MOO_GOP_TC_CP-PREFA02.RAW","RAW_FILE_NAME":"0020a_MOO_GOP_TC_CN-PREFA02.RAW"}
},
{
"Subject ID":"Polled_QC",
"Sample ID":"PREFA3",
"Factors":{"Tissue type":"pooled homogenate QC"},
"Additional sample data":{"mass (mg)":"NA","Vol. water added  for homogenization (uL)":"NA","RAW_FILE_NAME":"0042a_MOO_GOP_TC_HP-PPREFA3.RAW","RAW_FILE_NAME":"0042a_MOO_TC_HN_PREFA03.RAW","RAW_FILE_NAME":"0042a_MOO_GOP_TC_CP-PREFA03.RAW","RAW_FILE_NAME":"0042a_MOO_GOP_TC_CN-PREFA03.RAW"}
},
{
"Subject ID":"Polled_QC",
"Sample ID":"PREFB1",
"Factors":{"Tissue type":"pooled homogenate QC"},
"Additional sample data":{"mass (mg)":"NA","Vol. water added  for homogenization (uL)":"NA","RAW_FILE_NAME":"0000f_MOO_GOP_TC_HP-PPREFB1.RAW","RAW_FILE_NAME":"0000d_MOO_TC_HN_PREFB01.RAW","RAW_FILE_NAME":"0000d_MOO_GOP_TC_CP-PREFB01.RAW","RAW_FILE_NAME":"0043b_0000reb_MOO_GOP_TC_CN-PREFB01.RAW"}
},
{
"Subject ID":"Polled_QC",
"Sample ID":"PREFB2",
"Factors":{"Tissue type":"pooled homogenate QC"},
"Additional sample data":{"mass (mg)":"NA","Vol. water added  for homogenization (uL)":"NA","RAW_FILE_NAME":"0020b_MOO_GOP_TC_HP-PPREFB2.RAW","RAW_FILE_NAME":"0021a_MOO_TC_HN_PREFB02.RAW","RAW_FILE_NAME":"0020b_MOO_GOP_TC_CP-PREFB02.RAW","RAW_FILE_NAME":"0020b_MOO_GOP_TC_CN-PREFB02.RAW"}
},
{
"Subject ID":"Polled_QC",
"Sample ID":"PREFB3",
"Factors":{"Tissue type":"pooled homogenate QC"},
"Additional sample data":{"mass (mg)":"NA","Vol. water added  for homogenization (uL)":"NA","RAW_FILE_NAME":"0042b_MOO_GOP_TC_HP-PPREFB3.RAW","RAW_FILE_NAME":"0042b_MOO_TC_HN_PREFB03.RAW","RAW_FILE_NAME":"0042b_MOO_GOP_TC_CP-PREFB03.RAW","RAW_FILE_NAME":"0042b_MOO_GOP_TC_CN-PREFB03.RAW"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"HCC and normal samples were collected surgically and stored as part of the Mass General Brigham Institutional Review Board (protocol number 2008P001466). Frozen tissue was accessed to create the cohort used in this study.","COLLECTION_PROTOCOL_ID":"MGB IRB 2008P001466","SAMPLE_TYPE":"Oncocytic (Hürthle cell) thyroid carcinoma (HCC) tumors and normal thyroid tissue","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"no treatment was used in the study"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Frozen tissues were weighed and homogenized in 4 volumes of water (4 µL of water/mg tissue, 4°C) using a bead beater (TissueLyser II, QIAGEN; Germantown, MD). Tissue homogenates were aliquoted to prepare extracts for four different LC-MS methods: HILIC-pos: 10 µL of each tissue homogenate was extracted using 90 µL of acetonitrile/methanol/formic acid (74.9:24.9:0.2 v/v/v) containing stable isotope-labeled internal standards (valine-d8, Sigma-Aldrich; St. Louis, MO; and phenylalanine-d8, Cambridge Isotope Laboratories; Andover, MA). The samples were centrifuged (10 min, 9,000 x g, 4°C), and the supernatants were transferred to autosampler vials containing deactivated glass inserts. HILIC-neg: 30 µL of each tissue homogenate was extracted using 120 µL of 80% methanol containing inosine-15N4, thymine-d4 and glycocholate-d4 internal standards (Cambridge Isotope Laboratories; Andover, MA). The samples were centrifuged (10 min, 9,000 x g, 4°C), and the supernatants were transferred to autosampler vials containing deactivated glass inserts. C8-pos: 10 µL of each tissue homogenate was extracted using 190 µL of isopropanol containing 1,2-didodecanoyl-sn-glycero-3-phosphocholine (Avanti Polar Lipids; Alabaster, AL). The samples were centrifuged (10 min, 9,000 x g, ambient temperature), and the supernatants were transferred to autosampler vials containing deactivated glass inserts. C18-neg: 30 µL of each tissue homogenate was extracted using 90 µL of methanol containing 15R-15-methyl PGA2, 15S-15-methyl PGD2, 15S-15-methyl PGE1, 15S-15-methyl PGE2, and 15R-15-methyl PGF2alpha as an internal standards (Cayman Chemical Co.; Ann Arbor, MI). The samples were centrifuged (10 min, 9,000 x g, 4°C), and the supernatants were transferred to autosampler vials containing deactivated glass inserts."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"C18-neg: Reversed-phase C18 chromatography analysis of compounds of intermediate polarity in the negative ionization mode","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Shimadzu Nexera X2","COLUMN_NAME":"Waters ACQUITY UPLC BEH C18 Column (2.1 mm X 150 mm,1.7 µm,130Å)","SOLVENT_A":"100% water; 0.01% formic acid","SOLVENT_B":"100% acetonitrile; 0.01% acetic acid","FLOW_GRADIENT":"0-3 min, isocratic 20% B; 3-15 min, gradient to 100% B; 15-18 min, isocratic 100% B; 18-19 min, gradient to 20% B","FLOW_RATE":"450 uL/min","COLUMN_TEMPERATURE":"45"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"MS analyses were carried out using electrospray ionization in the negative ion mode using full scan analysis over m/z 70-850 at 70,000 resolution and 3 Hz data acquisition rate. Additional MS settings were: ion spray voltage, -3.5 kV; capillary temperature, 320°C; probe heater temperature, 300 °C; sheath gas, 45; auxiliary gas, 10; and S-lens RF level 60. Raw data were processed using TraceFinder 3.3 software (Thermo Fisher Scientific; Waltham, MA) and Progenesis QI (Nonlinear Dynamics; Newcastle upon Tyne, UK). Metabolite identities were confirmed using authentic reference standards."},

"MS_METABOLITE_DATA":{
"Units":"peak area",

"Data":[{"Metabolite":"15R-15-methyl PGA2","HC001_N":"279193","HC001_T":"284993","HC002_N":"266632","HC002_T":"246645","HC003_N":"263133","HC003_T":"280488","HC004_N":"271200","HC004_T":"263017","HC005_N":"260588","HC005_T":"269950","HC006_N":"264791","HC006_T":"250081","HC007_N":"272103","HC007_T":"271400","HC008_N":"262116","HC008_T":"266454","HC009_N":"257581","HC009_T":"263872","HC010_N":"260672","HC010_T":"262464","HC011_N":"242636","HC011_T":"283361","HC012_N":"258536","HC012_T":"264997","HC013_N":"266725","HC013_T":"259951","HC014_N":"272771","HC014_T":"275926","HC015_N":"269512","HC015_T":"265219","HC016_N":"260394","HC016_T":"244400","HC017_T":"260480","HC018_T":"255227","HC019_T":"271203","HC020_T":"261936","HC021_N":"275647","HC021_T":"262785","HC022_N":"276398","HC022_T":"273796","HC023_T":"265312","HC024_T":"245732","PREFA1":"271816","PREFB1":"275419","PREFA2":"260655","PREFB2":"257450","PREFA3":"254198","PREFB3":"261878"},{"Metabolite":"15S-15-methyl 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PGF2a","Compound":"QI05","m/z":"367.2490","RT":"8.24"},{"Metabolite":"caprate","Compound":"QI14","m/z":"171.1380","RT":"10.90"},{"Metabolite":"5-dodecenoate","Compound":"QI17","m/z":"197.1538","RT":"11.60"},{"Metabolite":"dodecanoate","Compound":"QI18","m/z":"199.1695","RT":"12.48"},{"Metabolite":"myristoleate","Compound":"QI20","m/z":"225.1855","RT":"12.86"},{"Metabolite":"myristate","Compound":"QI21","m/z":"227.2011","RT":"13.85"},{"Metabolite":"pentadecanoate","Compound":"QI23","m/z":"241.2169","RT":"14.44"},{"Metabolite":"palmitoleate","Compound":"QI24","m/z":"253.2170","RT":"14.06"},{"Metabolite":"palmitate","Compound":"QI25","m/z":"255.2328","RT":"14.96"},{"Metabolite":"10-heptadecenoate","Compound":"QI27","m/z":"267.2329","RT":"14.60"},{"Metabolite":"heptadecanoate","Compound":"QI28","m/z":"269.2486","RT":"15.45"},{"Metabolite":"gamma-linolenate","Compound":"QI31","m/z":"277.2172","RT":"13.72"},{"Metabolite":"alpha-linolenate","Compound":"QI32","m/z":"277.2172","RT":"13.61"},{"Metabolite":"linoleate","Compound":"QI33","m/z":"279.2329","RT":"14.33"},{"Metabolite":"oleate","Compound":"QI34","m/z":"281.2486","RT":"15.09"},{"Metabolite":"stearate","Compound":"QI35","m/z":"283.2643","RT":"15.89"},{"Metabolite":"10-nonadecenoate","Compound":"QI37","m/z":"295.2642","RT":"15.54"},{"Metabolite":"nonadecanoate","Compound":"QI39","m/z":"297.2798","RT":"16.32"},{"Metabolite":"eicosapentaenoate","Compound":"QI40","m/z":"301.2173","RT":"13.50"},{"Metabolite":"arachidonate","Compound":"QI41","m/z":"303.2330","RT":"14.17"},{"Metabolite":"eicosatrienoate","Compound":"QI42","m/z":"305.2485","RT":"14.63"},{"Metabolite":"eicosadienoate","Compound":"QI43","m/z":"307.2642","RT":"15.24"},{"Metabolite":"eicosenoate","Compound":"QI44","m/z":"309.2800","RT":"15.93"},{"Metabolite":"arachidate","Compound":"QI45","m/z":"311.2957","RT":"16.74"},{"Metabolite":"docosahexaenoate","Compound":"QI46","m/z":"327.2330","RT":"13.95"},{"Metabolite":"docosapentaenoate","Compound":"QI47","m/z":"329.2485","RT":"14.30"},{"Metabolite":"adrenate","Compound":"QI48","m/z":"331.2643","RT":"14.90"},{"Metabolite":"13-docosenoate","Compound":"QI49","m/z":"337.3113","RT":"16.73"},{"Metabolite":"nervonic acid","Compound":"QI71","m/z":"365.3424","RT":"17.62"},{"Metabolite":"17-methylstearate","Compound":"TF2","m/z":"297.2799","RT":"16.17"},{"Metabolite":"phytanate","Compound":"TF3","m/z":"311.2956","RT":"16.73"},{"Metabolite":"3-methyladipate","Compound":"QI64","m/z":"159.0652","RT":"1.33"},{"Metabolite":"levulinate","Compound":"QI11","m/z":"115.0388","RT":"0.89"},{"Metabolite":"azelate","Compound":"QI59","m/z":"187.0967","RT":"4.54"},{"Metabolite":"sebacate","Compound":"QI60","m/z":"201.1125","RT":"6.19"},{"Metabolite":"undecanedionate","Compound":"QI19","m/z":"215.1283","RT":"7.20"},{"Metabolite":"dodecanedioate","Compound":"QI22","m/z":"229.1441","RT":"8.01"},{"Metabolite":"tetradecanedioate","Compound":"QI26","m/z":"257.1757","RT":"9.42"},{"Metabolite":"hexadecanedioate","Compound":"QI36","m/z":"285.2072","RT":"10.73"},{"Metabolite":"eicosanedioate","Compound":"QI50","m/z":"341.2698","RT":"13.16"},{"Metabolite":"3-hydroxyoctanoate","Compound":"QI13","m/z":"159.1016","RT":"5.92"},{"Metabolite":"3-hydroxydecanoate","Compound":"QI15","m/z":"187.1331","RT":"8.50"},{"Metabolite":"3-hydroxyhexanoate","Compound":"QI16","m/z":"131.0702","RT":"1.56"},{"Metabolite":"16-hydroxypalmitate","Compound":"QI29","m/z":"271.2280","RT":"11.15"},{"Metabolite":"2-hydroxyhexadecanoate","Compound":"QI30","m/z":"271.2279","RT":"13.77"},{"Metabolite":"13-HODE","Compound":"QI07","m/z":"295.2278","RT":"11.61"},{"Metabolite":"9,10-diHOME","Compound":"QI06","m/z":"313.2387","RT":"10.14"},{"Metabolite":"12-HETE/8-HETE","Compound":"QI09","m/z":"319.2279","RT":"12.01"},{"Metabolite":"11-HETE","Compound":"QI08","m/z":"319.2279","RT":"11.88"},{"Metabolite":"15-HETE","Compound":"QI10","m/z":"319.2279","RT":"11.72"},{"Metabolite":"3-oxooctadecanoate","Compound":"QI38","m/z":"297.2433","RT":"14.40"},{"Metabolite":"2-aminooctanoate","Compound":"TF1","m/z":"158.1187","RT":"1.46"},{"Metabolite":"9-cis-retinoic acid","Compound":"QI72","m/z":"299.2017","RT":"12.76"},{"Metabolite":"chenodeoxycholate","Compound":"QI51","m/z":"391.2854","RT":"10.50"},{"Metabolite":"deoxycholate","Compound":"QI52","m/z":"391.2857","RT":"10.70"},{"Metabolite":"cholate","Compound":"QI53","m/z":"407.2804","RT":"9.12"},{"Metabolite":"glycocholate","Compound":"QI57","m/z":"464.3017","RT":"8.13"},{"Metabolite":"glycochenodeoxycholate","Compound":"QI54","m/z":"448.3070","RT":"9.23"},{"Metabolite":"glycodeoxycholate","Compound":"QI55","m/z":"448.3070","RT":"9.47"},{"Metabolite":"glycoursodeoxycholate","Compound":"QI56","m/z":"448.3069","RT":"8.08"},{"Metabolite":"salicylate","Compound":"QI58","m/z":"137.0232","RT":"3.09"},{"Metabolite":"4-hydroxystyrene","Compound":"TF5","m/z":"119.0502","RT":"2.42"},{"Metabolite":"oxypurinol","Compound":"QI67","m/z":"151.0250","RT":"0.71"},{"Metabolite":"mandelate","Compound":"QI12","m/z":"151.0389","RT":"1.96"},{"Metabolite":"phenyllactate","Compound":"QI69","m/z":"165.0547","RT":"2.42"},{"Metabolite":"formylmethionine","Compound":"QI65","m/z":"176.0377","RT":"1.04"},{"Metabolite":"glucose/fructose/galactose","Compound":"QI66","m/z":"179.0552","RT":"0.66"},{"Metabolite":"theophylline","Compound":"TF4","m/z":"179.0574","RT":"0.95"},{"Metabolite":"ribothymidine","Compound":"QI70","m/z":"257.0776","RT":"0.84"},{"Metabolite":"phenylacetylglutamine","Compound":"QI68","m/z":"263.1038","RT":"1.37"},{"Metabolite":"hydrochlorothiazide","Compound":"QI61","m/z":"295.9572","RT":"1.32"},{"Metabolite":"warfarin","Compound":"QI62","m/z":"307.0978","RT":"9.20"}]
}

}