{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001845","ANALYSIS_ID":"AN002988","VERSION":"1","CREATED_ON":"June 22, 2021, 8:40 am"},

"PROJECT":{"PROJECT_TITLE":"Identification of unique metabolite networks between Latino and Caucasian patients with nonalcoholic fatty liver disease (NAFLD)","PROJECT_SUMMARY":"Nonalcoholic fatty liver disease (NAFLD) is a spectrum of liver pathology ranging from simple steatosis to nonalcoholic steatohepatitis (NASH); the latter is characterized by inflammation and fibrosis. Risk factors for NALFD include obesity, diabetes, hyperlipidemia, and hypertension—all of which are features of metabolic syndrome. NAFLD is a very heterogeneous disease, as it presents in different patterns in males and females and in patients from different ethnicities, with unclear predictors for development and severity of disease. Previous studies have shown that NAFLD is 1.4 times more frequent in Hispanics than in Caucasians. One of the major challenges in NAFLD is the lack of accurate, noninvasive biomarkers for the detection of the most aggressive presentation, NASH. The gold standard for the diagnosis is liver biopsy, which is an invasive procedure associated with possible complications. Noninvasive diagnosis of NASH is a major unmet medical need and there are no ethnicity-specific biomarkers that can diagnose this condition and predict its progression. Therefore, the main gap in knowledge that this proposal and line of research will address is the characterizing the different plasma and liver metabolomics profile of patients with fatty liver from two ethnicities (Latinos vs. Caucasians) and of both sexes. The overall hypothesis of the present study is that the higher incidence of nonalcoholic fatty liver (NAFL) in Latino patients is reflected in a different plasma and liver metabolomics profile compared to Caucasian patients with further sex-related differences. Characterization of metabolite networks can aid in identifying the mechanistic underpinnings of sex and ethnic driven differences in NAFL which could help diagnose and establish a prognosis of this condition, especially in the critical transition from NAFL to the more aggressive nonalcoholic steatohepatitis (NASH).To address this hypothesis, plasma metabolomics profile of samples from male and female Latino and Caucasian bariatric surgery patients with NAFL and from healthy subjects will be compared. Metabolomics findings will be related with liver pathology and liver transcriptome profiles from intraoperatively obtained liver biopsies using correlation, network, and pathway analysis.","INSTITUTE":"University of California, Davis","DEPARTMENT":"Department of Internal Medicine, Division of Gastroenterology and Hepatology","LABORATORY":"Medici Lab","LAST_NAME":"Medici","FIRST_NAME":"Valentina","ADDRESS":"4150 V Street - PSSB Suite 3500 - 95817 Sacramento CA","EMAIL":"vmedici@ucdavis.edu","PHONE":"(916) 734 3751","FUNDING_SOURCE":"The National Institutes of Health (NIH)-West Coast Metabolomic Center WCMC) grant number DK104770"},

"STUDY":{"STUDY_TITLE":"Identification of unique metabolite networks between Latino and Caucasian patients with nonalcoholic fatty liver disease (NAFLD) (part V)","STUDY_SUMMARY":"Nonalcoholic fatty liver disease (NAFLD) is a spectrum of liver pathology ranging from simple steatosis to nonalcoholic steatohepatitis (NASH); the latter is characterized by inflammation and fibrosis. Risk factors for NALFD include obesity, diabetes, hyperlipidemia, and hypertension—all of which are features of metabolic syndrome. NAFLD is a very heterogeneous disease, as it presents in different patterns in males and females and in patients from different ethnicities, with unclear predictors for development and severity of disease. Previous studies have shown that NAFLD is 1.4 times more frequent in Hispanics than in Caucasians. One of the major challenges in NAFLD is the lack of accurate, noninvasive biomarkers for the detection of the most aggressive presentation, NASH. The gold standard for the diagnosis is liver biopsy, which is an invasive procedure associated with possible complications. Noninvasive diagnosis of NASH is a major unmet medical need and there are no ethnicity-specific biomarkers that can diagnose this condition and predict its progression. Therefore, the main gap in knowledge that this proposal and line of research will address is the characterizing the different plasma and liver metabolomics profile of patients with fatty liver from two ethnicities (Latinos vs. Caucasians) and of both sexes. The overall hypothesis of the present study is that the higher incidence of nonalcoholic fatty liver (NAFL) in Latino patients is reflected in a different plasma and liver metabolomics profile compared to Caucasian patients with further sex-related differences. Characterization of metabolite networks can aid in identifying the mechanistic underpinnings of sex and ethnic driven differences in NAFL which could help diagnose and establish a prognosis of this condition, especially in the critical transition from NAFL to the more aggressive nonalcoholic steatohepatitis (NASH).To address this hypothesis, plasma metabolomics profile of samples from male and female Latino and Caucasian bariatric surgery patients with NAFL and from healthy subjects will be compared. Metabolomics findings will be related with liver pathology and liver transcriptome profiles from intraoperatively obtained liver biopsies using correlation, network, and pathway analysis.","INSTITUTE":"University of California, Davis","DEPARTMENT":"Department of Internal Medicine, Division of Gastroenterology and Hepatology","LABORATORY":"Medici Lab","LAST_NAME":"Medici","FIRST_NAME":"Valentina","ADDRESS":"4150 V Street - PSSB Suite 3500 - 95817 Sacramento CA","EMAIL":"vmedici@ucdavis.edu","PHONE":"(916) 734 3751"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","AGE_OR_AGE_RANGE":"23-73","GENDER":"Male and female","HUMAN_RACE":"Hispanic and Caucasian"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"840422-01_001",
"Factors":{"factor":"NAFLD-CAU"},
"Additional sample data":{"RAW_FILE_NAME":"840422-01_001.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"840422-03_002",
"Factors":{"factor":"NAFLD-CAU"},
"Additional sample data":{"RAW_FILE_NAME":"840422-03_002.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"840422-04_003",
"Factors":{"factor":"NAFLD-CAU"},
"Additional sample data":{"RAW_FILE_NAME":"840422-04_003.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"840422-05_004",
"Factors":{"factor":"NAFLD-CAU"},
"Additional sample data":{"RAW_FILE_NAME":"840422-05_004.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"840422-07_005",
"Factors":{"factor":"NAFLD-HIS"},
"Additional sample data":{"RAW_FILE_NAME":"840422-07_005.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"840422-08_006",
"Factors":{"factor":"NAFLD-CAU"},
"Additional sample data":{"RAW_FILE_NAME":"840422-08_006.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"840422-10_007",
"Factors":{"factor":"NAFLD-HIS"},
"Additional sample data":{"RAW_FILE_NAME":"840422-10_007.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"840422-13_008",
"Factors":{"factor":"NAFLD-CAU"},
"Additional sample data":{"RAW_FILE_NAME":"840422-13_008.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"840422-14_009",
"Factors":{"factor":"NAFLD-CAU"},
"Additional sample data":{"RAW_FILE_NAME":"840422-14_009.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"840422-16_010",
"Factors":{"factor":"NAFLD-CAU"},
"Additional sample data":{"RAW_FILE_NAME":"840422-16_010.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"840422-17_011",
"Factors":{"factor":"NAFLD-CAU"},
"Additional sample data":{"RAW_FILE_NAME":"840422-17_011.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"840422-18_012",
"Factors":{"factor":"NAFLD-HIS"},
"Additional sample data":{"RAW_FILE_NAME":"840422-18_012.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"840422-19_013",
"Factors":{"factor":"NAFLD-CAU"},
"Additional sample data":{"RAW_FILE_NAME":"840422-19_013.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"840422-20_014",
"Factors":{"factor":"NAFLD-CAU"},
"Additional sample data":{"RAW_FILE_NAME":"840422-20_014.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"840422-21_015",
"Factors":{"factor":"NAFLD-HIS"},
"Additional sample data":{"RAW_FILE_NAME":"840422-21_015.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"840422-24_016",
"Factors":{"factor":"NAFLD-CAU"},
"Additional sample data":{"RAW_FILE_NAME":"840422-24_016.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"840422-25_017",
"Factors":{"factor":"NAFLD-CAU"},
"Additional sample data":{"RAW_FILE_NAME":"840422-25_017.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"840422-27_018",
"Factors":{"factor":"NAFLD-CAU"},
"Additional sample data":{"RAW_FILE_NAME":"840422-27_018.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"840422-30_019",
"Factors":{"factor":"NAFLD-CAU"},
"Additional sample data":{"RAW_FILE_NAME":"840422-30_019.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"840422-44_020",
"Factors":{"factor":"NAFLD-HIS"},
"Additional sample data":{"RAW_FILE_NAME":"840422-44_020.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"840422-28_021",
"Factors":{"factor":"N / A"},
"Additional sample data":{"RAW_FILE_NAME":"840422-28_021.wiff"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Blood was collected as a part of a routine/pre-operation check up, not more than 2 weeks prior to operation day (bariatric surgery) for the NAFLD group and among normal BMI healthy volunteers for the control group. All volunteers were fasted 10-12 hours before collection. Liver obtained during surgery (no preservatives, flash-frozen)","SAMPLE_TYPE":"Blood (serum)"},

"TREATMENT":{"TREATMENT_SUMMARY":"Subjects were divided into two groups either: Healthy control or Nonalcoholic fatty liver disease (NAFLD)"},

"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":"EI","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 B2","840422-01_001":"0.1605060571","840422-03_002":"0.06035353425","840422-04_003":"0.07723503439","840422-05_004":"0.1133243175","840422-07_005":"0.07520114023","840422-08_006":"2.403028872","840422-10_007":"0.09774261662","840422-13_008":"0.1645516417","840422-14_009":"0.16503336","840422-16_010":"0.08162524764","840422-17_011":"0.1280020226","840422-18_012":"0.04204053618","840422-19_013":"0.1234076953","840422-20_014":"0.1042829874","840422-21_015":"0.1138752678","840422-24_016":"0.1215809452","840422-25_017":"0.09881785107","840422-27_018":"0.05905576755","840422-30_019":"0.1297033318","840422-44_020":"0.1174054279","840422-28_021":"0.1870358497"},{"Metabolite":"6-Ketoprostaglandin F1 alpha","840422-01_001":"0.06866651008","840422-03_002":"0.06481719899","840422-04_003":"0.08161799949","840422-05_004":"0.06483063408","840422-07_005":"0.06577892337","840422-08_006":"0.01097352811","840422-10_007":"0.07191570934","840422-13_008":"0.06394558781","840422-14_009":"0.8913492161","840422-16_010":"0.04589573771","840422-17_011":"0.05021024643","840422-18_012":"0.04773354635","840422-19_013":"0.05023183276","840422-20_014":"0.06201388922","840422-21_015":"0.03463643246","840422-24_016":"0.02510219979","840422-25_017":"0.08778369296","840422-27_018":"0.03139506105","840422-30_019":"0.05654383657","840422-44_020":"0.08212959727","840422-28_021":"0.08053451477"},{"Metabolite":"Prostaglandin E1","840422-01_001":"0.07167305544","840422-03_002":"0.03279831927","840422-04_003":"0.05401936469","840422-05_004":"0.01879059398","840422-07_005":"0.02800533452","840422-08_006":"0.02308956492","840422-10_007":"0.03878529204","840422-13_008":"0.03067047735","840422-14_009":"0.04391607876","840422-16_010":"0.07677263456","840422-17_011":"0.04432497836","840422-18_012":"0.05932582559","840422-19_013":"0.1153486423","840422-20_014":"0.09758298174","840422-21_015":"0.06216565447","840422-24_016":"0.02994929985","840422-25_017":"0.04187605233","840422-27_018":"0.0768508031","840422-30_019":"0.05066427537","840422-44_020":"0.05162185329","840422-28_021":"0.05614958363"},{"Metabolite":"Prostaglandin E2","840422-01_001":"0.01882578342","840422-03_002":"0.02958881604","840422-04_003":"0.02488936387","840422-05_004":"0.06960333399","840422-07_005":"0.1029932457","840422-08_006":"0.0202991427","840422-10_007":"0.05050031295","840422-13_008":"0.07330310364","840422-14_009":"0.07612792855","840422-16_010":"0.02464455099","840422-17_011":"0.05543391597","840422-18_012":"0.0343931673","840422-19_013":"0.1323691173","840422-20_014":"0.008366113408","840422-21_015":"0.07026858779","840422-24_016":"0.09046758473","840422-25_017":"0.03825969989","840422-27_018":"0.7395748734","840422-30_019":"0.6903339237","840422-44_020":"0.05484861088","840422-28_021":"1.498267617"},{"Metabolite":"Prostaglandin D2","840422-01_001":"0.1718973172","840422-03_002":"0.1154438581","840422-04_003":"0.04216665157","840422-05_004":"0.102854008","840422-07_005":"2.000665778","840422-08_006":"0.1183932862","840422-10_007":"1.591804722","840422-13_008":"0.05757986892","840422-14_009":"0.1822697447","840422-16_010":"0.1574035589","840422-17_011":"1.59878219","840422-18_012":"0.0773344263","840422-19_013":"0.1383636942","840422-20_014":"0.08605710563","840422-21_015":"0.08114146951","840422-24_016":"0.1229938265","840422-25_017":"0.1393765998","840422-27_018":"1.83052997","840422-30_019":"0.1051298443","840422-44_020":"1.676104426","840422-28_021":"0.1164057978"},{"Metabolite":"15-Deoxy-delta-12,14-Prostaglandin J2","840422-01_001":"0.06232994911","840422-03_002":"0.05434126445","840422-04_003":"0.08600019435","840422-05_004":"0.0694682256","840422-07_005":"0.07843634193","840422-08_006":"0.03826494464","840422-10_007":"0.07861473376","840422-13_008":"0.08774615504","840422-14_009":"0.7357977446","840422-16_010":"0.05917820979","840422-17_011":"0.8300604489","840422-18_012":"0.07571016171","840422-19_013":"0.07219272415","840422-20_014":"0.6353092326","840422-21_015":"0.1019514205","840422-24_016":"0.07556146487","840422-25_017":"0.08203761054","840422-27_018":"0.04763073392","840422-30_019":"0.08257706267","840422-44_020":"0.08717866082","840422-28_021":"1.138503602"},{"Metabolite":"15-Keto-prostaglandin E2","840422-01_001":"0.03281896296","840422-03_002":"0.01974662168","840422-04_003":"0.01331931059","840422-05_004":"0.1786656264","840422-07_005":"0.05578369275","840422-08_006":"0.06105726896","840422-10_007":"0.120201905","840422-13_008":"0.1076235205","840422-14_009":"0.1478481506","840422-16_010":"0.06966319581","840422-17_011":"0.1011750317","840422-18_012":"0.1489879878","840422-19_013":"0.1516714415","840422-20_014":"0.1583022369","840422-21_015":"0.1702162758","840422-24_016":"0.02936105632","840422-25_017":"0.1557023196","840422-27_018":"0.08507678572","840422-30_019":"0.03826255798","840422-44_020":"0.05996557081","840422-28_021":"0.07938143915"},{"Metabolite":"Prostaglandin F2a","840422-01_001":"0.4501913164","840422-03_002":"0.240611672","840422-04_003":"0.5318365258","840422-05_004":"0.5736592454","840422-07_005":"0.4708964427","840422-08_006":"0.4492831408","840422-10_007":"0.4672000744","840422-13_008":"0.6200192413","840422-14_009":"0.5768065213","840422-16_010":"0.3563110362","840422-17_011":"5.119532001","840422-18_012":"0.3887212512","840422-19_013":"0.5085403845","840422-20_014":"0.9135509722","840422-21_015":"0.372685567","840422-24_016":"0.3405797678","840422-25_017":"0.7144073629","840422-27_018":"0.2952280199","840422-30_019":"0.4641201984","840422-44_020":"0.4472843452","840422-28_021":"0.379871816"},{"Metabolite":"Prostaglandin E3","840422-01_001":"0.5998358582","840422-03_002":"7.463410541","840422-04_003":"1.312192723","840422-05_004":"1.66955284","840422-07_005":"1.701853116","840422-08_006":"112.8827476","840422-10_007":"1.673799917","840422-13_008":"0.9702439805","840422-14_009":"48.74411428","840422-16_010":"0.6289672149","840422-17_011":"10.87821156","840422-18_012":"1.294346923","840422-19_013":"15.59402023","840422-20_014":"0.8746667867","840422-21_015":"1.657694341","840422-24_016":"1.630808917","840422-25_017":"0.9790100074","840422-27_018":"0.60798002","840422-30_019":"0.8678433374","840422-44_020":"0.1227166471","840422-28_021":"5.636240663"},{"Metabolite":"9,11,15-trihydroxy-5,13,1Z-prostatrienoic acid","840422-01_001":"0.2095718034","840422-03_002":"0.1313500035","840422-04_003":"0.6825706629","840422-05_004":"0.2075199524","840422-07_005":"1.297512099","840422-08_006":"0.05802255764","840422-10_007":"0.1624006595","840422-13_008":"0.173127705","840422-14_009":"0.8798595515","840422-16_010":"0.05351005646","840422-17_011":"0.1603907364","840422-18_012":"0.1720036779","840422-19_013":"0.1963139566","840422-20_014":"0.08360411299","840422-21_015":"0.05861069665","840422-24_016":"0.6707242979","840422-25_017":"0.7248644472","840422-27_018":"0.05899991079","840422-30_019":"0.1445299213","840422-44_020":"0.07504599148","840422-28_021":"0.1358909931"},{"Metabolite":"9,12,13-trihydroxyoctadec-10-enoic acid","840422-01_001":"3.04750682","840422-03_002":"0.4630291812","840422-04_003":"0.4176739244","840422-05_004":"0.4787586158","840422-07_005":"0.1084060476","840422-08_006":"0.3502292086","840422-10_007":"0.2371046856","840422-13_008":"0.1777271643","840422-14_009":"0.1719740613","840422-16_010":"0.1894538529","840422-17_011":"7.079710016","840422-18_012":"0.2197463393","840422-19_013":"0.247762405","840422-20_014":"0.3868753467","840422-21_015":"0.1863139137","840422-24_016":"0.07816174193","840422-25_017":"0.2955062304","840422-27_018":"0.3075802405","840422-30_019":"0.4318850437","840422-44_020":"0.147952419","840422-28_021":"0.3280146388"},{"Metabolite":"5,6,15-trihydroxyeicosa-7,9,11,13-tetraenoic acid","840422-01_001":"3.095011285","840422-03_002":"0.3195366166","840422-04_003":"0.1546185238","840422-05_004":"11.11234167","840422-07_005":"1.434019566","840422-08_006":"0.2417644437","840422-10_007":"0.3082838875","840422-13_008":"0.3686908609","840422-14_009":"4.899347895","840422-16_010":"0.4051128081","840422-17_011":"3.985500802","840422-18_012":"0.25804971","840422-19_013":"3.704018669","840422-20_014":"0.2240882216","840422-21_015":"0.3395379177","840422-24_016":"0.2254226966","840422-25_017":"0.4222678658","840422-27_018":"2.907856621","840422-30_019":"2.00230445","840422-44_020":"0.2060819829","840422-28_021":"2.98018497"},{"Metabolite":"Resolvin 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Key":"GFNYAPAJUNPMGH-QNEBEIHSSA-N","PubChem":"5283142","Ret.Time":"10.56"},{"Metabolite":"17,18-dihydroxyeicosa-5,8,11,14-tetraenoic acid","InChI Key":"XYDVGNAQQFWZEF-JPURVOHMSA-N","PubChem":"16061120","Ret.Time":"7.34"},{"Metabolite":"14,15-dihydroxyeicosa-5,8,11,17-tetraenoic acid","InChI Key":"BLWCDFIELVFRJY-QXBXTPPVSA-N","PubChem":"16061119","Ret.Time":"7.67"},{"Metabolite":"19,20-dihydroxydocosa-4,7,10,13,16-pentaenoic acid","InChI Key":"FFXKPSNQCPNORO-MBYQGORISA-N","PubChem":"16061148","Ret.Time":"8.66"},{"Metabolite":"8,15-dihydroxyeicosa-5,9,11,13-tetraenoic acid","InChI Key":"NNPWRKSGORGTIM-RCDCWWQHSA-N","PubChem":"53480358","Ret.Time":"7.06"},{"Metabolite":"5,15-dihydroxyeicosa-6,8,11,13-tetraenoic acid","InChI Key":"UXGXCGPWGSUMNI-BVHTXILBSA-N","PubChem":"5283158","Ret.Time":"7.4"},{"Metabolite":"6-trans-Leukotriene B4","InChI Key":"VNYSSYRCGWBHLG-UKNWISKWSA-N","PubChem":"5283128","Ret.Time":"7.53"},{"Metabolite":"Leukotriene B4","InChI Key":"VNYSSYRCGWBHLG-AMOLWHMGSA-N","PubChem":"5280492","Ret.Time":"7.78"},{"Metabolite":"Leukotriene B5","InChI Key":"BISQPGCQOHLHQK-HDNPQISLSA-N","PubChem":"5283125","Ret.Time":"6.52"},{"Metabolite":"13-Hydroxyoctadecadienoic acid","InChI Key":"HNICUWMFWZBIFP-IRQZEAMPSA-N","PubChem":"6443013","Ret.Time":"10.89"},{"Metabolite":"9-Hydroxylinoleic acid","InChI Key":"NPDSHTNEKLQQIJ-ZJHFMPGASA-N","PubChem":"5282944","Ret.Time":"11.08"},{"Metabolite":"13-hydroxyoctadeca-9,11,15-trienoic acid","InChI Key":"KLLGGGQNRTVBSU-JDTPQGGVSA-N","PubChem":"10469728","Ret.Time":"9.62"},{"Metabolite":"9-hydroxyoctadeca-10,12,15-trienoic acid","InChI Key":"YUPHIKSLGBATJK-OBKPXJAFSA-N","PubChem":"53480359","Ret.Time":"9.5"},{"Metabolite":"20-Hydroxyarachidonic acid","InChI Key":"NNDIXBJHNLFJJP-DTLRTWKJSA-N","PubChem":"123803","Ret.Time":"10.05"},{"Metabolite":"15-hydroxyeicosa-5,8,11,13-tetraenoic acid","InChI Key":"JSFATNQSLKRBCI-VAEKSGALSA-N","PubChem":"5280724","Ret.Time":"11.27"},{"Metabolite":"12-Hydroxy-5,8,10,14-eicosatetraenoic acid","InChI Key":"ZNHVWPKMFKADKW-LQWMCKPYSA-N","PubChem":"5283155","Ret.Time":"11.96"},{"Metabolite":"8-hydroxyeicosa-5,9,11,14-tetraenoic acid","InChI Key":"NLUNAYAEIJYXRB-VYOQERLCSA-N","PubChem":"5283154","Ret.Time":"12.1"},{"Metabolite":"11-Hydroxy-arachidonic acid","InChI Key":"GCZRCCHPLVMMJE-RSPKXIRXSA-N","PubChem":"5312981","Ret.Time":"11.71"},{"Metabolite":"9-hydroxyeicosa-5,7,11,14-tetraenoic acid","InChI Key":"KATOYYZUTNAWSA-OIZRIKEUSA-N","PubChem":"14123398","Ret.Time":"12.31"},{"Metabolite":"5-Hydroxy-6,8,11,14-eicosatetraenoic acid","InChI Key":"KGIJOOYOSFUGPC-JGKLHWIESA-N","PubChem":"5280733","Ret.Time":"12.68"},{"Metabolite":"15-hydroxyeicosa-5,8,11,13,17-pentaenoic acid","InChI Key":"WLKCSMCLEKGITB-XWJJKCKWSA-N","PubChem":"16061131","Ret.Time":"10.04"},{"Metabolite":"12-Hydroxy-5,8,10,14,17-eicosapentaenoic acid","InChI Key":"MCRJLMXYVFDXLS-UOLHMMFFSA-N","PubChem":"5283191","Ret.Time":"10.4"},{"Metabolite":"9-Hydroxy-5,7,11,14,17-icosapentaenoic acid","InChI Key":"OXOPDAZWPWFJEW-IMCWFPBLSA-N","PubChem":"16061129","Ret.Time":"10.61"},{"Metabolite":"5-Hydroxy-6,8,11,14,17-eicosapentaenoic acid","InChI Key":"FTAGQROYQYQRHF-GHWNLOBHSA-N","PubChem":"5283193","Ret.Time":"11"},{"Metabolite":"17-hydroxy-4,7,10,13,15,19-docosahexaenoic acid","InChI Key":"SWTYBBUBEPPYCX-VIIQGJSXSA-N","PubChem":"6439179","Ret.Time":"11.39"},{"Metabolite":"14-hydroxydocosa-4,7,10,12,16,19-hexaenoic acid","InChI Key":"ZNEBXONKCYFJAF-BGKMTWLOSA-N","PubChem":"11566378","Ret.Time":"11.7"},{"Metabolite":"4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid","InChI Key":"IFRKCNPQVIJFAQ-PQVBWYSWSA-N","PubChem":"14429109","Ret.Time":"13.02"},{"Metabolite":"13-ketooctadeca-9,11-dienoic acid","InChI Key":"JHXAZBBVQSRKJR-BSZOFBHHSA-N","PubChem":"6446027","Ret.Time":"11.33"},{"Metabolite":"9-ketooctadeca-10,12-dienoic acid","InChI Key":"LUZSWWYKKLTDHU-ZJHFMPGASA-N","PubChem":"9839084","Ret.Time":"11.78"},{"Metabolite":"15-ketoeicosa-5,8,11,13-tetraenoic acid","InChI Key":"YGJTUEISKATQSM-USWFWKISSA-N","PubChem":"5280701","Ret.Time":"11.63"},{"Metabolite":"5-ketoeicosa-6,8,11,14-tetraenoic acid","InChI Key":"MEASLHGILYBXFO-XTDASVJISA-N","PubChem":"5283159","Ret.Time":"13.39"},{"Metabolite":"9,10-Epoxystearic acid","InChI Key":"IMYZYCNQZDBZBQ-UHFFFAOYSA-N","PubChem":"15868","Ret.Time":"14.44"},{"Metabolite":"trans-12,13-epoxy-11-oxo-trans-9-octadecenoic acid","InChI Key":"RCMABBHQYMBYKV-BUHFOSPRSA-N","PubChem":"5283007","Ret.Time":"9.5"},{"Metabolite":"12,13-epoxy-9-octadecenoic acid","InChI Key":"CCPPLLJZDQAOHD-FLIBITNWSA-N","PubChem":"5356421","Ret.Time":"12.81"},{"Metabolite":"9(10)-epoxy-12Z-octadecenoic acid","InChI Key":"FBUKMFOXMZRGRB-YFHOEESVSA-N","PubChem":"6246154","Ret.Time":"13.04"},{"Metabolite":"15(16)-epoxy-9,12-octadecadienoic acid","InChI Key":"HKSDVVJONLXYKL-OHPMOLHNSA-N","PubChem":"16061062","Ret.Time":"11.15"},{"Metabolite":"9(10)-epoxy-12,15-octadecadienoic acid","InChI Key":"JTEGNNHWOIJBJZ-ZJSQCTGTSA-N","PubChem":"16061060","Ret.Time":"11.35"},{"Metabolite":"12(13)-epoxy-9,15-octadecadienoic acid","InChI Key":"BKKGUKSHPCTUGE-OOHFSOINSA-N","PubChem":"16061061","Ret.Time":"11.55"},{"Metabolite":"11-Hydroxy-14,15-epoxyeicosatrienoic acid","InChI Key":"JBSCUHKPLGKXKH-ILYOTBPNSA-N","PubChem":"5283205","Ret.Time":"12.91"},{"Metabolite":"11,12-Epoxyeicosa-5,8,14-trienoic acid","InChI Key":"DXOYQVHGIODESM-KROJNAHFSA-N","PubChem":"5283204","Ret.Time":"13.39"},{"Metabolite":"8,9-Epoxyeicosa-5,11,14-trienoic acid","InChI Key":"DBWQSCSXHFNTMO-TYAUOURKSA-N","PubChem":"5283203","Ret.Time":"13.59"},{"Metabolite":"17,18-Epoxy-5,8,11,14-eicosatetraenoic acid","InChI Key":"GPQVVJQEBXAKBJ-JPURVOHMSA-N","PubChem":"16061089","Ret.Time":"11.25"},{"Metabolite":"14(15)-epoxy-5,8,11,17-eicosatetraenoic acid","InChI Key":"RGZIXZYRGZWDMI-QXBXTPPVSA-N","PubChem":"16061088","Ret.Time":"11.72"},{"Metabolite":"11(12)-epoxy-5,8,14,17- eicosatetraenoic acid","InChI Key":"QHOKDYBJJBDJGY-BVILWSOJSA-N","PubChem":"16061087","Ret.Time":"11.87"},{"Metabolite":"18-(3-ethyloxiran-2-yl)octadeca-4,7,10,13,16-pentaenoic acid","InChI Key":"OSXOPUBJJDUAOJ-MBYQGORISA-N","PubChem":"11631565","Ret.Time":"12.65"},{"Metabolite":"16(17)-epoxy-4,7,10,13,19-docosapentaenoic acid","InChI Key":"BCTXZWCPBLWCRV-ZYADFMMDSA-N","PubChem":"14392758","Ret.Time":"13.04"},{"Metabolite":"10-nitrooleic acid","InChI Key":"WRADPCFZZWXOTI-BMRADRMJSA-N","PubChem":"24836820","Ret.Time":"14.84"},{"Metabolite":"9-nitrooleic acid","InChI Key":"CQOAKBVRRVHWKV-SAPNQHFASA-N","PubChem":"11645581","Ret.Time":"14.79"},{"Metabolite":"10-nitrolinoleic acid","InChI Key":"LELVHAQTWXTCLY-XYWKCAQWSA-N","PubChem":"5282259","Ret.Time":"13.85"}]
}

}