{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002001","ANALYSIS_ID":"AN003264","VERSION":"1","CREATED_ON":"November 23, 2021, 2:20 pm"},

"PROJECT":{"PROJECT_TITLE":"A case-control study on plasma metabolomics analysis in ME/CFS","PROJECT_SUMMARY":"Targeted and untargeted metabolomics analysis consisting of 888 metabolic analytes covering primary metabolites, biogenic amines, complex lipids, and oxylipins in 106 ME/CFS cases and 91 frequency-matched healthy controls.","INSTITUTE":"Columbia University","DEPARTMENT":"Center for Infection and Immunity","LABORATORY":"Center for Infection and Immunity","LAST_NAME":"Lipkin","FIRST_NAME":"W. Ian","ADDRESS":"722 W. 168th St., 17th Floor, New York, NY, 10032","EMAIL":"wil2001@cumc.columbia.edu","PHONE":"212-342-9033","FUNDING_SOURCE":"This study was funded by National Institutes of Health U54 AI138370 (Center for Solutions for ME/CFS)"},

"STUDY":{"STUDY_TITLE":"A case-control study on plasma metabolomics analysis in Myalgic encephalomyelitis/chronic fatigue syndrome (ME/CFS) (Part 2)","STUDY_SUMMARY":"Targeted and untargeted metabolomics analysis consisting of 888 metabolic analytes covering primary metabolites, biogenic amines, complex lipids, and oxylipins in 106 ME/CFS cases and 91 frequency-matched healthy controls","INSTITUTE":"Columbia University","DEPARTMENT":"Center for Infection and Immunity","LABORATORY":"Center for Infection and Immunity","LAST_NAME":"Lipkin","FIRST_NAME":"W. Ian","ADDRESS":"722 W. 168th St., 17th Floor, New York, NY, 10032","EMAIL":"wil2001@cumc.columbia.edu","PHONE":"212-342-9033"},

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{
"Subject ID":"-",
"Sample ID":"EF012_112",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff066_MX405656_posHILIC_EF012-112.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF013_113",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff158_MX405656_posHILIC_EF013-113.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF017_114",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff187_MX405656_posHILIC_EF017-114.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF019_115",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff134_MX405656_posHILIC_EF019-115.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF020_116",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff087_MX405656_posHILIC_EF020-116.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF023_117",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff082_MX405656_posHILIC_EF023-117.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF024_118",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff165_MX405656_posHILIC_EF024-118.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF026_119",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff010_MX405656_posHILIC_EF026-119.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF027_120",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff032_MX405656_posHILIC_EF027-120.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF028_121",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff098_MX405656_posHILIC_EF028-121.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF029_122",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff126_MX405656_posHILIC_EF029-122.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF031_123",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff110_MX405656_posHILIC_EF031-123.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF032_124",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff011_MX405656_posHILIC_EF032-124.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF033_125",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff095_MX405656_posHILIC_EF033-125.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF034_126",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff053_MX405656_posHILIC_EF034-126.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF035_127",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff192_MX405656_posHILIC_EF035-127.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF036_128",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff096_MX405656_posHILIC_EF036-128.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF040_129",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff055_MX405656_posHILIC_EF040-129.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF041_130",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff039_MX405656_posHILIC_EF041-130.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF043_131",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff012_MX405656_posHILIC_EF043-131.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF045_132",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff057_MX405656_posHILIC_EF045-132.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF048_133",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff184_MX405656_posHILIC_EF048-133.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF051_134",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff120_MX405656_posHILIC_EF051-134.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF052_135",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff111_MX405656_posHILIC_EF052-135.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF053_136",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff142_MX405656_posHILIC_EF053-136.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF056_137",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff013_MX405656_posHILIC_EF056-137.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF057_138",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff129_MX405656_posHILIC_EF057-138.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF059_139",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff003_MX405656_posHILIC_EF059-139.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF060_140",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff168_MX405656_posHILIC_EF060-140.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"EF061_141",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff051_MX405656_posHILIC_EF061-141.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH002-2_142",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff088_MX405656_posHILIC_GH002-2-142.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH004_143",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff023_MX405656_posHILIC_GH004-143.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH006_144",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff191_MX405656_posHILIC_GH006-144.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH007_145",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff050_MX405656_posHILIC_GH007-145.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH008_146",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff077_MX405656_posHILIC_GH008-146.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH009_147",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff102_MX405656_posHILIC_GH009-147.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH011_148",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff112_MX405656_posHILIC_GH011-148.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH013_149",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff101_MX405656_posHILIC_GH013-149.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH015_150",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff007_MX405656_posHILIC_GH015-150.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH016_151",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff020_MX405656_posHILIC_GH016-151.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH017_152",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff040_MX405656_posHILIC_GH017-152.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH019_153",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff128_MX405656_posHILIC_GH019-153.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH021_154",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff038_MX405656_posHILIC_GH021-154.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH022_155",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff018_MX405656_posHILIC_GH022-155.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH024_156",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff108_MX405656_posHILIC_GH024-156.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH025_157",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff182_MX405656_posHILIC_GH025-157.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH026_158",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff163_MX405656_posHILIC_GH026-158.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH027_159",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff179_MX405656_posHILIC_GH027-159.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH030_160",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff016_MX405656_posHILIC_GH030-160.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH037_161",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff149_MX405656_posHILIC_GH037-161.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH038_162",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff154_MX405656_posHILIC_GH038-162.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH039_163",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff156_MX405656_posHILIC_GH039-163.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH040_164",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff094_MX405656_posHILIC_GH040-164.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH041_165",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff064_MX405656_posHILIC_GH041-165.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH042_166",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff136_MX405656_posHILIC_GH042-166.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH046_167",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff173_MX405656_posHILIC_GH046-167.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH049_168",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff024_MX405656_posHILIC_GH049-168.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH050_169",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff172_MX405656_posHILIC_GH050-169.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH053_170",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff194_MX405656_posHILIC_GH053-170.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH054_171",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff135_MX405656_posHILIC_GH054-171.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH057_172",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff085_MX405656_posHILIC_GH057-172.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH058_173",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff171_MX405656_posHILIC_GH058-173.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH060_174",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff089_MX405656_posHILIC_GH060-174.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH061_175",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff063_MX405656_posHILIC_GH061-175.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH062_176",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff002_MX405656_posHILIC_GH062-176.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"GH063_177",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff084_MX405656_posHILIC_GH063-177.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"IJ001_178",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff152_MX405656_posHILIC_IJ001-178.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"IJ002_179",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff166_MX405656_posHILIC_IJ002-179.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"IJ003_180",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff078_MX405656_posHILIC_IJ003-180.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"IJ006_181",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff006_MX405656_posHILIC_IJ006-181.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"IJ009_182",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff019_MX405656_posHILIC_IJ009-182.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"IJ010_183",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff036_MX405656_posHILIC_IJ010-183.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"IJ013_184",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff183_MX405656_posHILIC_IJ013-184.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"IJ014_185",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff153_MX405656_posHILIC_IJ014-185.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"IJ029_186",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff086_MX405656_posHILIC_IJ029-186.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"IJ030_187",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff027_MX405656_posHILIC_IJ030-187.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"IJ038_188",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff116_MX405656_posHILIC_IJ038-188.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"IJ043_189",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff083_MX405656_posHILIC_IJ043-189.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"IJ044_190",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff025_MX405656_posHILIC_IJ044-190.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"IJ046_191",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff137_MX405656_posHILIC_IJ046-191.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"IJ047_192",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff021_MX405656_posHILIC_IJ047-192.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"IJ049_193",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff180_MX405656_posHILIC_IJ049-193.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"IJ052_194",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff081_MX405656_posHILIC_IJ052-194.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"IJ059_195",
"Factors":{"treatment":"case"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff046_MX405656_posHILIC_IJ059-195.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"IJ061_196",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff033_MX405656_posHILIC_IJ061-196.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"IJ075_197",
"Factors":{"treatment":"control"},
"Additional sample data":{"RAW_FILE_NAME":"Conniff175_MX405656_posHILIC_IJ075-197.wiff"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Plasma was collected and frozen at -80.","SAMPLE_TYPE":"Blood (serum)"},

"TREATMENT":{"TREATMENT_SUMMARY":"Blinded study of control versus cases."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"1 Thaw plasma samples on ice 2 Vortex plasma sample and pipette 50µl in polypropylene Eppendorf tube/Plate 3 Add Surrogate Standards of the 3 lipid classes (as needed) and other reagents as in the following table: Plasma Sample 10x Oxylipid Surrogate STDs CUDA + PHAU Anti-oxidant ACN/MeOH SUM 4 Vortex for 30sec 5 Centrifuge at 6°C for 5 min at 15,000 g (or 1,800 g for plates) 6 Take the supernatant (~240µl) into new Eppendorf tube/filter plate 7 Spin Filter (0.1 um) or plate filter (0.2um) for 5 min @ 12,000 g (1,800g for plate) 8 place aliquotes of samples into vials, or plate, and cap vials or seal plates 9 Store in -20°C until analysis"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Targeted oxylipin analysis","CHROMATOGRAPHY_TYPE":"Other","INSTRUMENT_NAME":"Thermo Vanquish","COLUMN_NAME":"Waters Acquity BEH Amide (150 x 2.1mm, 1.7um)"},

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

"MS":{"INSTRUMENT_NAME":"ABI Sciex 4000 QTrap","INSTRUMENT_TYPE":"Other","MS_TYPE":"ESI","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"analyzed by a Waters UPLC with a 2.1×150 mm, 1.7 µm Acquity BEH column, ESI (+) and (-) switching and detection by multi-reaction monitoring on an Sciex 6500+ QTRAP mass spectrometer. We validated this method for linearity, limit of detection, limit of quantitation, inter- and intra-day reproducibility, and recovery for all targets, yielding better than 15% relative standard deviation and (spiked) recoveries of greater than 80%."},

"MS_METABOLITE_DATA":{
"Units":"nM",

"Data":[{"Metabolite":"Thromboxane 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Key":"JSFATNQSLKRBCI-VAEKSGALSA-N","Ret.Time":"11.27"},{"Metabolite":"12-Hydroxy-5,8,10,14-eicosatetraenoic acid","PubChem":"5283155","InChI Key":"ZNHVWPKMFKADKW-LQWMCKPYSA-N","Ret.Time":"11.96"},{"Metabolite":"8-hydroxyeicosa-5,9,11,14-tetraenoic acid","PubChem":"5283154","InChI Key":"NLUNAYAEIJYXRB-VYOQERLCSA-N","Ret.Time":"12.1"},{"Metabolite":"11-Hydroxy-arachidonic acid","PubChem":"5312981","InChI Key":"GCZRCCHPLVMMJE-RSPKXIRXSA-N","Ret.Time":"11.71"},{"Metabolite":"9-hydroxyeicosa-5,7,11,14-tetraenoic acid","PubChem":"14123398","InChI Key":"KATOYYZUTNAWSA-OIZRIKEUSA-N","Ret.Time":"12.31"},{"Metabolite":"5-Hydroxy-6,8,11,14-eicosatetraenoic acid","PubChem":"5280733","InChI Key":"KGIJOOYOSFUGPC-JGKLHWIESA-N","Ret.Time":"12.68"},{"Metabolite":"15-hydroxyeicosa-5,8,11,13,17-pentaenoic acid","PubChem":"16061131","InChI Key":"WLKCSMCLEKGITB-XWJJKCKWSA-N","Ret.Time":"10.04"},{"Metabolite":"12-Hydroxy-5,8,10,14,17-eicosapentaenoic acid","PubChem":"5283191","InChI Key":"MCRJLMXYVFDXLS-UOLHMMFFSA-N","Ret.Time":"10.4"},{"Metabolite":"9-Hydroxy-5,7,11,14,17-icosapentaenoic acid","PubChem":"16061129","InChI Key":"OXOPDAZWPWFJEW-IMCWFPBLSA-N","Ret.Time":"10.61"},{"Metabolite":"5-Hydroxy-6,8,11,14,17-eicosapentaenoic acid","PubChem":"5283193","InChI Key":"FTAGQROYQYQRHF-GHWNLOBHSA-N","Ret.Time":"11"},{"Metabolite":"17-hydroxy-4,7,10,13,15,19-docosahexaenoic acid","PubChem":"6439179","InChI Key":"SWTYBBUBEPPYCX-VIIQGJSXSA-N","Ret.Time":"11.39"},{"Metabolite":"14-hydroxydocosa-4,7,10,12,16,19-hexaenoic acid","PubChem":"11566378","InChI Key":"ZNEBXONKCYFJAF-BGKMTWLOSA-N","Ret.Time":"11.7"},{"Metabolite":"4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid","PubChem":"14429109","InChI Key":"IFRKCNPQVIJFAQ-PQVBWYSWSA-N","Ret.Time":"13.02"},{"Metabolite":"13-ketooctadeca-9,11-dienoic acid","PubChem":"6446027","InChI Key":"JHXAZBBVQSRKJR-BSZOFBHHSA-N","Ret.Time":"11.33"},{"Metabolite":"9-ketooctadeca-10,12-dienoic acid","PubChem":"9839084","InChI Key":"LUZSWWYKKLTDHU-ZJHFMPGASA-N","Ret.Time":"11.78"},{"Metabolite":"15-ketoeicosa-5,8,11,13-tetraenoic acid","PubChem":"5280701","InChI Key":"YGJTUEISKATQSM-USWFWKISSA-N","Ret.Time":"11.63"},{"Metabolite":"5-ketoeicosa-6,8,11,14-tetraenoic acid","PubChem":"5283159","InChI Key":"MEASLHGILYBXFO-XTDASVJISA-N","Ret.Time":"13.39"},{"Metabolite":"9,10-Epoxystearic acid","PubChem":"15868","InChI Key":"IMYZYCNQZDBZBQ-UHFFFAOYSA-N","Ret.Time":"14.44"},{"Metabolite":"trans-12,13-epoxy-11-oxo-trans-9-octadecenoic acid","PubChem":"5283007","InChI Key":"RCMABBHQYMBYKV-BUHFOSPRSA-N","Ret.Time":"9.5"},{"Metabolite":"12,13-epoxy-9-octadecenoic acid","PubChem":"5356421","InChI Key":"CCPPLLJZDQAOHD-FLIBITNWSA-N","Ret.Time":"12.81"},{"Metabolite":"9(10)-epoxy-12Z-octadecenoic acid","PubChem":"6246154","InChI Key":"FBUKMFOXMZRGRB-YFHOEESVSA-N","Ret.Time":"13.04"},{"Metabolite":"15(16)-epoxy-9,12-octadecadienoic acid","PubChem":"16061062","InChI Key":"HKSDVVJONLXYKL-OHPMOLHNSA-N","Ret.Time":"11.15"},{"Metabolite":"9(10)-epoxy-12,15-octadecadienoic acid","PubChem":"16061060","InChI Key":"JTEGNNHWOIJBJZ-ZJSQCTGTSA-N","Ret.Time":"11.35"},{"Metabolite":"12(13)-epoxy-9,15-octadecadienoic acid","PubChem":"16061061","InChI Key":"BKKGUKSHPCTUGE-OOHFSOINSA-N","Ret.Time":"11.55"},{"Metabolite":"11-Hydroxy-14,15-epoxyeicosatrienoic acid","PubChem":"5283205","InChI Key":"JBSCUHKPLGKXKH-ILYOTBPNSA-N","Ret.Time":"12.91"},{"Metabolite":"11,12-Epoxyeicosa-5,8,14-trienoic acid","PubChem":"5283204","InChI Key":"DXOYQVHGIODESM-KROJNAHFSA-N","Ret.Time":"13.39"},{"Metabolite":"8,9-Epoxyeicosa-5,11,14-trienoic acid","PubChem":"5283203","InChI Key":"DBWQSCSXHFNTMO-TYAUOURKSA-N","Ret.Time":"13.59"},{"Metabolite":"17,18-Epoxy-5,8,11,14-eicosatetraenoic acid","PubChem":"16061089","InChI Key":"GPQVVJQEBXAKBJ-JPURVOHMSA-N","Ret.Time":"11.25"},{"Metabolite":"14(15)-epoxy-5,8,11,17-eicosatetraenoic acid","PubChem":"16061088","InChI Key":"RGZIXZYRGZWDMI-QXBXTPPVSA-N","Ret.Time":"11.72"},{"Metabolite":"11(12)-epoxy-5,8,14,17- eicosatetraenoic acid","PubChem":"16061087","InChI Key":"QHOKDYBJJBDJGY-BVILWSOJSA-N","Ret.Time":"11.87"},{"Metabolite":"18-(3-ethyloxiran-2-yl)octadeca-4,7,10,13,16-pentaenoic acid","PubChem":"11631565","InChI Key":"OSXOPUBJJDUAOJ-MBYQGORISA-N","Ret.Time":"12.65"},{"Metabolite":"16(17)-epoxy-4,7,10,13,19-docosapentaenoic acid","PubChem":"14392758","InChI Key":"BCTXZWCPBLWCRV-ZYADFMMDSA-N","Ret.Time":"13.04"},{"Metabolite":"10-nitrooleic acid","PubChem":"24836820","InChI Key":"WRADPCFZZWXOTI-BMRADRMJSA-N","Ret.Time":"14.84"},{"Metabolite":"9-nitrooleic acid","PubChem":"11645581","InChI Key":"CQOAKBVRRVHWKV-SAPNQHFASA-N","Ret.Time":"14.79"},{"Metabolite":"10-nitrolinoleic acid","PubChem":"5282259","InChI Key":"LELVHAQTWXTCLY-XYWKCAQWSA-N","Ret.Time":"13.85"}]
}

}