{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001154","ANALYSIS_ID":"AN001946","VERSION":"1","CREATED_ON":"April 24, 2019, 4:23 pm"},

"PROJECT":{"PROJECT_TITLE":"A comprehensive plasma metabolomics dataset for a cohort of mouse knockouts within the International Mouse Phenotyping Consortium","PROJECT_TYPE":"Observational study","PROJECT_SUMMARY":"Untargeted and targeted metabolomics datasets were acquired for blood plasma samples of 30 mouse knockouts and the wildtype strain within the International Mouse Phenotyping Consortium (IMPC http://www.mousephenotype.org/). West Coast Metabolomics Center at UC Davis (https://metabolomics.ucdavis.edu/) conducted the metabolomics analyses.","INSTITUTE":"University of California","DEPARTMENT":"Genome Center","LAST_NAME":"Barupal","FIRST_NAME":"Dinessh","ADDRESS":"451 Health Science Drive, West Coast Metabolomics Center, Davis, California, 95616, USA","EMAIL":"dinkumar@ucdavis.edu","PHONE":"5309794354"},

"STUDY":{"STUDY_TITLE":"A comprehensive plasma metabolomics dataset for a cohort of mouse knockouts within the International Mouse Phenotyping Consortium","STUDY_SUMMARY":"Untargeted and targeted metabolomics datasets were acquired for blood plasma samples of 30 mouse knockouts within the International Mouse Phenotyping Consortium (IMPC). http://www.mousephenotype.org/. West Coast Metabolomics Center at UC Davis (https://metabolomics.ucdavis.edu/) conducted the metabolomics analyses.","INSTITUTE":"University of California","DEPARTMENT":"Genome Center","LABORATORY":"West Coast Metabolomics Center","LAST_NAME":"Barupal","FIRST_NAME":"Dinesh","ADDRESS":"451 East Health Science Drive","EMAIL":"dinkumar@ucdavis.edu","PHONE":"5309794354","NUM_GROUPS":"31","TOTAL_SUBJECTS":"220","NUM_MALES":"110","NUM_FEMALES":"110"},

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"Additional sample data":{"Gender":"M","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_128",
"Sample ID":"424984_128",
"Factors":{"Genotype":"Dync1li1"},
"Additional sample data":{"Gender":"M","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_129",
"Sample ID":"427987_129",
"Factors":{"Genotype":"Dync1li1"},
"Additional sample data":{"Gender":"M","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_130",
"Sample ID":"428092_130",
"Factors":{"Genotype":"Dync1li1"},
"Additional sample data":{"Gender":"F","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_131",
"Sample ID":"447115_131",
"Factors":{"Genotype":"Dync1li1"},
"Additional sample data":{"Gender":"F","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_132",
"Sample ID":"447116_132",
"Factors":{"Genotype":"Dync1li1"},
"Additional sample data":{"Gender":"F","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_133",
"Sample ID":"215489_133",
"Factors":{"Genotype":"Plk1"},
"Additional sample data":{"Gender":"M","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_134",
"Sample ID":"215490_134",
"Factors":{"Genotype":"Plk1"},
"Additional sample data":{"Gender":"M","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_135",
"Sample ID":"215491_135",
"Factors":{"Genotype":"Plk1"},
"Additional sample data":{"Gender":"M","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_136",
"Sample ID":"221098_136",
"Factors":{"Genotype":"Plk1"},
"Additional sample data":{"Gender":"F","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_137",
"Sample ID":"230007_137",
"Factors":{"Genotype":"Plk1"},
"Additional sample data":{"Gender":"F","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_138",
"Sample ID":"230010_138",
"Factors":{"Genotype":"Plk1"},
"Additional sample data":{"Gender":"F","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_139",
"Sample ID":"448910_139",
"Factors":{"Genotype":"Pttg1"},
"Additional sample data":{"Gender":"M","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_140",
"Sample ID":"448913_140",
"Factors":{"Genotype":"Pttg1"},
"Additional sample data":{"Gender":"M","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_141",
"Sample ID":"448924_141",
"Factors":{"Genotype":"Pttg1"},
"Additional sample data":{"Gender":"M","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_142",
"Sample ID":"493894_142",
"Factors":{"Genotype":"Pttg1"},
"Additional sample data":{"Gender":"F","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_143",
"Sample ID":"493806_143",
"Factors":{"Genotype":"Pttg1"},
"Additional sample data":{"Gender":"F","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_144",
"Sample ID":"508035_144",
"Factors":{"Genotype":"Pttg1"},
"Additional sample data":{"Gender":"F","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_145",
"Sample ID":"244183_145",
"Factors":{"Genotype":"Phyh"},
"Additional sample data":{"Gender":"M","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_146",
"Sample ID":"257899_146",
"Factors":{"Genotype":"Phyh"},
"Additional sample data":{"Gender":"M","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_147",
"Sample ID":"257807_147",
"Factors":{"Genotype":"Phyh"},
"Additional sample data":{"Gender":"M","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_148",
"Sample ID":"244289_148",
"Factors":{"Genotype":"Phyh"},
"Additional sample data":{"Gender":"F","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_149",
"Sample ID":"218139_149",
"Factors":{"Genotype":"Phyh"},
"Additional sample data":{"Gender":"F","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_150",
"Sample ID":"218142_150",
"Factors":{"Genotype":"Phyh"},
"Additional sample data":{"Gender":"F","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_151",
"Sample ID":"345319_151",
"Factors":{"Genotype":"Mvk"},
"Additional sample data":{"Gender":"M","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_152",
"Sample ID":"345321_152",
"Factors":{"Genotype":"Mvk"},
"Additional sample data":{"Gender":"M","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_153",
"Sample ID":"345323_153",
"Factors":{"Genotype":"Mvk"},
"Additional sample data":{"Gender":"M","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_154",
"Sample ID":"328195_154",
"Factors":{"Genotype":"Mvk"},
"Additional sample data":{"Gender":"F","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_155",
"Sample ID":"328199_155",
"Factors":{"Genotype":"Mvk"},
"Additional sample data":{"Gender":"F","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_156",
"Sample ID":"349944_156",
"Factors":{"Genotype":"Mvk"},
"Additional sample data":{"Gender":"F","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_157",
"Sample ID":"366627_157",
"Factors":{"Genotype":"Nek2"},
"Additional sample data":{"Gender":"M","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_158",
"Sample ID":"349640_158",
"Factors":{"Genotype":"Nek2"},
"Additional sample data":{"Gender":"M","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_159",
"Sample ID":"349643_159",
"Factors":{"Genotype":"Nek2"},
"Additional sample data":{"Gender":"M","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_160",
"Sample ID":"349745_160",
"Factors":{"Genotype":"Nek2"},
"Additional sample data":{"Gender":"F","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_161",
"Sample ID":"349748_161",
"Factors":{"Genotype":"Nek2"},
"Additional sample data":{"Gender":"F","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_162",
"Sample ID":"349774_162",
"Factors":{"Genotype":"Nek2"},
"Additional sample data":{"Gender":"F","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_163",
"Sample ID":"487174_163",
"Factors":{"Genotype":"Ulk3"},
"Additional sample data":{"Gender":"M","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_164",
"Sample ID":"511373_164",
"Factors":{"Genotype":"Ulk3"},
"Additional sample data":{"Gender":"M","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_165",
"Sample ID":"511380_165",
"Factors":{"Genotype":"Ulk3"},
"Additional sample data":{"Gender":"M","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_166",
"Sample ID":"487277_166",
"Factors":{"Genotype":"Ulk3"},
"Additional sample data":{"Gender":"F","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_167",
"Sample ID":"496303_167",
"Factors":{"Genotype":"Ulk3"},
"Additional sample data":{"Gender":"F","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_168",
"Sample ID":"496304_168",
"Factors":{"Genotype":"Ulk3"},
"Additional sample data":{"Gender":"F","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_169",
"Sample ID":"237811_169",
"Factors":{"Genotype":"Ptpn12"},
"Additional sample data":{"Gender":"M","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_170",
"Sample ID":"237812_170",
"Factors":{"Genotype":"Ptpn12"},
"Additional sample data":{"Gender":"M","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_171",
"Sample ID":"206458_171",
"Factors":{"Genotype":"Ptpn12"},
"Additional sample data":{"Gender":"M","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_172",
"Sample ID":"248921_172",
"Factors":{"Genotype":"Ptpn12"},
"Additional sample data":{"Gender":"F","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_173",
"Sample ID":"249730_173",
"Factors":{"Genotype":"Ptpn12"},
"Additional sample data":{"Gender":"F","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_174",
"Sample ID":"249731_174",
"Factors":{"Genotype":"Ptpn12"},
"Additional sample data":{"Gender":"F","zygosity":"+/-"}
},
{
"Subject ID":"MOUSE_175",
"Sample ID":"69286_175",
"Factors":{"Genotype":"Sra1"},
"Additional sample data":{"Gender":"M","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_176",
"Sample ID":"69290_176",
"Factors":{"Genotype":"Sra1"},
"Additional sample data":{"Gender":"M","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_177",
"Sample ID":"73696_177",
"Factors":{"Genotype":"Sra1"},
"Additional sample data":{"Gender":"M","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_178",
"Sample ID":"55771_178",
"Factors":{"Genotype":"Sra1"},
"Additional sample data":{"Gender":"F","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_179",
"Sample ID":"55774_179",
"Factors":{"Genotype":"Sra1"},
"Additional sample data":{"Gender":"F","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_180",
"Sample ID":"55776_180",
"Factors":{"Genotype":"Sra1"},
"Additional sample data":{"Gender":"F","zygosity":"-/-"}
},
{
"Subject ID":"MOUSE_181",
"Sample ID":"34419_181",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"M","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_182",
"Sample ID":"38434_182",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"M","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_183",
"Sample ID":"38538_183",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"F","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_184",
"Sample ID":"38541_184",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"F","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_185",
"Sample ID":"69395_185",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"M","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_186",
"Sample ID":"91834_186",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"M","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_187",
"Sample ID":"115757_187",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"M","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_188",
"Sample ID":"115864_188",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"F","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_189",
"Sample ID":"55857_189",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"F","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_190",
"Sample ID":"69499_190",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"F","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_191",
"Sample ID":"144610_191",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"M","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_192",
"Sample ID":"187595_192",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"M","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_193",
"Sample ID":"198313_193",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"M","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_194",
"Sample ID":"144713_194",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"F","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_195",
"Sample ID":"170956_195",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"F","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_196",
"Sample ID":"198416_196",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"F","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_197",
"Sample ID":"209137_197",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"M","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_198",
"Sample ID":"229587_198",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"M","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_199",
"Sample ID":"237610_199",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"M","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_200",
"Sample ID":"257540_200",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"M","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_201",
"Sample ID":"281970_201",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"M","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_202",
"Sample ID":"209241_202",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"F","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_203",
"Sample ID":"220170_203",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"F","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_204",
"Sample ID":"229695_204",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"F","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_205",
"Sample ID":"237716_205",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"F","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_206",
"Sample ID":"257643_206",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"F","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_207",
"Sample ID":"307710_207",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"M","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_208",
"Sample ID":"348926_208",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"M","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_209",
"Sample ID":"365959_209",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"M","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_210",
"Sample ID":"296904_210",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"F","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_211",
"Sample ID":"319741_211",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"F","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_212",
"Sample ID":"349029_212",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"F","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_213",
"Sample ID":"410683_213",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"M","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_214",
"Sample ID":"441144_214",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"M","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_215",
"Sample ID":"483044_215",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"M","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_216",
"Sample ID":"417795_216",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"F","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_217",
"Sample ID":"432639_217",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"F","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_218",
"Sample ID":"448374_218",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"F","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_219",
"Sample ID":"510073_219",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"M","zygosity":"+/+"}
},
{
"Subject ID":"MOUSE_220",
"Sample ID":"496096_220",
"Factors":{"Genotype":"Null"},
"Additional sample data":{"Gender":"F","zygosity":"+/+"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Blood specimens were collected using the IMPC protocol https://www.mousephenotype.org/impress/","SAMPLE_TYPE":"Blood (plasma)"},

"TREATMENT":{"TREATMENT_SUMMARY":"30 genotypes and one group of wildtype mouse"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Metabolites were extracted using standard protocols for GCMS and LCMS assays by the West Coast Metabolomics Center."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Waters Acquity I-Class","COLUMN_NAME":"Waters Acquity BEH C18 (100 x 2mm, 1.7um)"},

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

"MS":{"INSTRUMENT_NAME":"ABI Sciex 6500 QTrap","INSTRUMENT_TYPE":"Ion trap","MS_TYPE":"ESI","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"For bile acids and steroids, reverse-phase liquid chromatography was achieved on a Waters Acquity BEH C18 column (1.7 µm, 2.1x100 mm) with its corresponding Vanguard precolumn at 45 °C at a flow rate of 400 µL/min. Mobile phase A was LC-MS grade water with 0.1% formic acid; mobile phase B was acetonitrile with 0.1% formic acid. The 20 min gradient is: 0–0.5 min 10% B, 0.5–1 min 10-20% B, 1–1.5 min 20-22.5% B, 1.5–11 min 22.5-45% B, 11–12.5 min 45-95% B, 12.5–16 min 95% B, 16–16.5 min 95-10% B, 16.5–20 min 10% B.Extracts were analyzed by liquid chromatography (Waters ACQUITY UPLC I-Class system) coupled to a Sciex 6500+ QTRAP hybrid, triple quadrupole linear ion trap mass spectrometer. 5 µL of each extract was injected. Scheduled multiple reaction monitoring (MRM) was performed with optimized collision energies, de-clustering potentials, and collision cell exit potentials for individual analyte. A LC-MRM targeted method was used to analyze both bile acids and steroids with positive and negative polarity switching. Oxylipins were analyzed in another LC-MRM method in negative ionization mode. All analytes were quantified against 6-point calibration curves using internal standards. Turbo Spray Ion Source parameters are: curtain gas (CUR) 25 psi, nebulizer gas (GS1) 50 psi, turbo-gas (GS2) 50 psi, electrospray voltage −4.5 kV/+3 kV, and source temperature 525 °C. Nitrogen was used as the collision gas. Software Analyst 1.6.3 and MultiQuant 3.0.2 (AB Sciex) were used for data acquisition and quantification."},

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

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mass m/z":"317","formula":"C20H30O3"},{"Metabolite":"18-(3-ethyloxiran-2-yl)octadeca-4,7,10,13,16-pentaenoic acid","LOD (nM)":"0.11","LOQ (nM)":"0","approved short names":"19(20)-EpDPE","class":"fatty acid epoxide","InChI Key":"OSXOPUBJJDUAOJ-MBYQGORISA-N","PubChem ID":"11631565","retention times":"13","MRM":"343.3 / 281.2","DP":"-60","CE":"-18","[M] neutral acc mass":"344","ESI mode":"(-)","[M-H]- resp [M+H]+ acc mass m/z":"343","formula":"C22H32O3"},{"Metabolite":"16(17)-epoxy-4,7,10,13,19-docosapentaenoic acid","LOD (nM)":"0.6","LOQ (nM)":"2","approved short names":"16(17)-EpDPE","class":"fatty acid epoxide","InChI Key":"BCTXZWCPBLWCRV-ZYADFMMDSA-N","PubChem ID":"14392758","retention times":"13","MRM":"343.5 / 273.5","DP":"-45","CE":"-15","[M] neutral acc mass":"344","ESI mode":"(-)","[M-H]- resp [M+H]+ acc mass m/z":"343","formula":"C22H32O3"},{"Metabolite":"13-hydroperoxyoctadeca-9,11-dienoic acid","LOD (nM)":"n/a","LOQ (nM)":"n/a","approved short names":"13-HpODE","class":"fatty 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mode":"(-)","[M-H]- resp [M+H]+ acc mass m/z":"335","formula":"C20H32O4"},{"Metabolite":"12-hydroperoxyicosa-5,8,10,14-tetraenoic acid","LOD (nM)":"n/a","LOQ (nM)":"n/a","approved short names":"12-HpETE","class":"fatty acid hydroperoxide","InChI Key":"ZIOZYRSDNLNNNJ-LQWMCKPYSA-N","PubChem ID":"5280892","retention times":"12","MRM":"335.2 / 153.1","DP":"-55","CE":"-27","[M] neutral acc mass":"336","ESI mode":"(-)","[M-H]- resp [M+H]+ acc mass m/z":"335","formula":"C20H32O4"},{"Metabolite":"5-hydroperoxyeicosa-6,8,11,14-tetraenoic acid","LOD (nM)":"n/a","LOQ (nM)":"n/a","approved short names":"5-HpETE","class":"fatty acid hydroperoxide","InChI Key":"JNUUNUQHXIOFDA-JGKLHWIESA-N","PubChem ID":"5280778","retention times":"13","MRM":"335.2 / 155.1","DP":"-55","CE":"-24","[M] neutral acc mass":"336","ESI mode":"(-)","[M-H]- resp [M+H]+ acc mass m/z":"335","formula":"C20H32O4"},{"Metabolite":"10-nitrooleic acid","LOD (nM)":"0.05","LOQ (nM)":"1","approved short 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[M+H]+ acc mass m/z":"324","formula":"C18H31NO4"},{"Metabolite":"1-Phenylurea-3-hexanoic acid","LOD (nM)":"int std","LOQ (nM)":"int std","approved short names":"PhUHA","class":"urea","InChI Key":"VUPFPVOJLPTJQS-UHFFFAOYSA-N","PubChem ID":"4137915","retention times":"3","MRM":"249.2 / 130.1","DP":"-30","CE":"-18","[M] neutral acc mass":"250","ESI mode":"(-)","[M-H]- resp [M+H]+ acc mass m/z":"249","formula":"C13H18N2O3"},{"Metabolite":"6-keto Prostaglandin F1a-d4","LOD (nM)":"int std","LOQ (nM)":"int std","approved short names":"d4 6-keto PGF1a","class":"prostanoid","InChI Key":"KFGOFTHODYBSGM-GKZGVFJGSA-N","PubChem ID":"5283044","retention times":"3","MRM":"373.3 / 167.1","DP":"-70","CE":"-36","[M] neutral acc mass":"374","ESI mode":"(-)","[M-H]- resp [M+H]+ acc mass m/z":"373","formula":"C20H30D4O6"},{"Metabolite":"Thromboxane B2-d4","LOD (nM)":"int std","LOQ (nM)":"int std","approved short names":"d4-TXB2","class":"thromboid","InChI Key":"XNRNNGPBEPRNAR-LCGOHBJFSA-N","PubChem ID":"16061116","retention times":"4","MRM":"373.3 / 173.1","DP":"-50","CE":"-45","[M] neutral acc mass":"374","ESI mode":"(-)","[M-H]- resp [M+H]+ acc mass m/z":"373","formula":"C20H30D4O6"},{"Metabolite":"Prostaglandin F2a-d4","LOD (nM)":"int std","LOQ (nM)":"int std","approved short names":"d4-PGF2a","class":"prostanoid","InChI Key":"PXGPLTODNUVGFL-MKIWGZNBSA-N","PubChem ID":"5283029","retention times":"4","MRM":"357.3 / 197.2","DP":"-70","CE":"-33","[M] neutral acc mass":"358","ESI mode":"(-)","[M-H]- resp [M+H]+ acc mass m/z":"357","formula":"C20H30D4O5"},{"Metabolite":"Prostaglandin D2-d4","LOD (nM)":"int std","LOQ (nM)":"int std","approved short names":"d4-PGD2","class":"prostanoid","InChI Key":"BHMBVRSPMRCCGG-DCNIGHKFSA-N","PubChem ID":"5283030","retention times":"5","MRM":"355.3 / 275.2","DP":"-40","CE":"-27","[M] neutral acc mass":"356","ESI mode":"(-)","[M-H]- resp [M+H]+ acc mass m/z":"355","formula":"C20H28D4O5"},{"Metabolite":"12-(cyclohexylcarbamoylamino)dodecanoic acid","LOD (nM)":"int std","LOQ (nM)":"int std","approved short names":"CUDA","class":"urea","InChI Key":"HPTJABJPZMULFH-UHFFFAOYSA-N","PubChem ID":"22978774","retention times":"8","MRM":"339.4 / 214.2","DP":"-70","CE":"-30","[M] neutral acc mass":"340","ESI mode":"(-)","[M-H]- resp [M+H]+ acc mass m/z":"339","formula":"C19H36N2O3"},{"Metabolite":"Leukotriene B4-d4","LOD (nM)":"int std","LOQ (nM)":"int std","approved short names":"d4-LTB4","class":"fatty acid diol","InChI Key":"VNYSSYRCGWBHLG-PHKHWAPOSA-N","PubChem ID":"16061113","retention times":"8","MRM":"339.3 / 163.1","DP":"-70","CE":"-33","[M] neutral acc mass":"374","ESI mode":"(-)","[M-H]- resp [M+H]+ acc mass m/z":"373","formula":"C20H30D4O6"},{"Metabolite":"10,11-Dihydroxyheptadecanoic acid","LOD (nM)":"int std","LOQ (nM)":"int std","approved short names":"10_11-DHHep","class":"fatty acid diol","InChI Key":"FHKUHNLINYBEIC-UHFFFAOYSA-N","PubChem ID":"14454608","retention times":"8","MRM":"301.2 / 283.2","DP":"-90","CE":"-30","[M] neutral acc mass":"302","ESI mode":"(-)","[M-H]- resp [M+H]+ acc mass m/z":"301","formula":"C17H34O4"},{"Metabolite":"14,15-dihydroxyeicosa-5,8,11-trienoic acid-d11","LOD (nM)":"int std","LOQ (nM)":"int std","approved short names":"d11-14,15-DiHETrE","class":"fatty acid diol","InChI Key":"","PubChem ID":"","retention times":"9","MRM":"348.4 / 207.2","DP":"-65","CE":"-24","[M] neutral acc mass":"349","ESI mode":"(-)","[M-H]- resp [M+H]+ acc mass m/z":"348","formula":"C20H23D11O4"},{"Metabolite":"20-HETE-d6","LOD (nM)":"int std","LOQ (nM)":"int std","approved short names":"d6-20-HETE","class":"fatty acid alcohol","InChI Key":"NNDIXBJHNLFJJP-KGSJLPHXSA-N","PubChem ID":"16061123","retention times":"10","MRM":"325.3 / 281.2","DP":"-80","CE":"-21","[M] neutral acc mass":"326","ESI mode":"(-)","[M-H]- resp [M+H]+ acc mass m/z":"325","formula":"C20H26D6O3"},{"Metabolite":"9(S)-HODE-d4","LOD (nM)":"int std","LOQ (nM)":"int std","approved short names":"d4-9(S)-HODE","class":"fatty acid alcohol","InChI Key":"NPDSHTNEKLQQIJ-VKLCZNAWSA-N","PubChem ID":"16061038","retention times":"11","MRM":"299.2 / 172.1","DP":"-85","CE":"-27","[M] neutral acc mass":"300","ESI mode":"(-)","[M-H]- resp [M+H]+ acc mass m/z":"299","formula":"C18H28D4O3"},{"Metabolite":"12(S)-HETE-d8","LOD (nM)":"int std","LOQ (nM)":"int std","approved short names":"d8-12(S)-HETE","class":"fatty acid alcohol","InChI Key":"ZNHVWPKMFKADKW-OPXGWVKSSA-N","PubChem ID":"6914100","retention times":"12","MRM":"327.2 / 184.2","DP":"-60","CE":"-21","[M] neutral acc mass":"328","ESI mode":"(-)","[M-H]- resp [M+H]+ acc mass m/z":"327","formula":"C20H24D8O3"},{"Metabolite":"5(S)-HETE-d8","LOD (nM)":"int std","LOQ (nM)":"int std","approved short names":"d8-5(S)-HETE","class":"fatty acid alcohol","InChI Key":"KGIJOOYOSFUGPC-IWMWOOIASA-N","PubChem ID":"5283153","retention times":"13","MRM":"327.2 / 116.1","DP":"-70","CE":"-18","[M] neutral acc mass":"328","ESI mode":"(-)","[M-H]- resp [M+H]+ acc mass m/z":"327","formula":"C20H24D8O3"},{"Metabolite":"(±)12(13)-EpOME-d4","LOD (nM)":"int std","LOQ (nM)":"int std","approved short names":"d4-12(13)-EpOME","class":"fatty acid epoxide","InChI Key":"CCPPLLJZDQAOHD-FIMKFYBQSA-N","PubChem ID":"","retention times":"13","MRM":"299.2 / 198.1","DP":"-90","CE":"-24","[M] neutral acc mass":"300","ESI mode":"(-)","[M-H]- resp [M+H]+ acc mass m/z":"299","formula":"C18H28D4O3"},{"Metabolite":"9-Nitrooleate-d17","LOD (nM)":"int std","LOQ (nM)":"int std","approved short names":"d17-10-Nitrooleate","class":"nitro-fatty acid","InChI Key":"CQOAKBVRRVHWKV-KSBOAZTASA-N","PubChem ID":"","retention times":"15","MRM":"343.2 / 307.5","DP":"-65","CE":"-18","[M] neutral acc mass":"344","ESI mode":"(-)","[M-H]- resp [M+H]+ acc mass m/z":"343","formula":"C18H16D17NO4"}]
}

}