{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001154","ANALYSIS_ID":"AN001943","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":"Thermo Vanquish","COLUMN_NAME":"Waters Acquity CSH C18 (100 x 2.1mm, 1.7um)"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Plus Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"Data acquisition : Extracted lipids were separated on an Acquity UPLC CSH C18 column (100 x 2.1 mm; 1.7 µm) maintained at 65°C. The mobile phases for positive mode consisted of 60:40 acetonitrile:water with 10 mM ammonium formate and 0.1% formic acid (A) and 90:10 isopropanol:acetonitrile with 10 mM ammonium formate and 0.1% formic acid (B). For negative mode, the mobile phase modifier was 10 mM ammonium acetate instead. The gradient was as follows: 0 min 85% (A); 0–2 min 70% (A); 2–2.5 min 52% (A); 2.5–11 min 18% (A); 11–11.5 min 1% (A); 11.5–12 min 1% (A); 12–12.1 min 85% (A); 12.1–15 min 85% (A). Sample temperature is maintained at 4°C in the autosampler. 2 µL of sample was injected. Vanquish UHPLC system (ThermoFisher Scientific) was used. Thermo Q-Exactive HF Orbitrap MS instrument was operated in electrospray ionization (ESI) in positive and negative modes respectively with the following parameters: mass range 120−1700 m/z; spray voltage 3.6kV (ESI+) and -3kV (ESI-), sheath gas (nitrogen) flow rate 60 units; auxiliary gas (nitrogen) flow rate 25 units, capillary temperature 320 °C, full scan MS1 mass resolving power 60,000, data-dependent MS/MS (dd-MS/MS) 4 scans per cycle, normalized collision energy at 20%, 30% and 40%, dd-MS/MS mass resolving power 15,000. Thermo Xcalibur 4.0.27.19 was used for data acquisition and analysis. Instruments was tuned by manufacturer’s recommendations. Data processing : Raw data files were converted to the mzML format using the ProteoWizard MSConvert utility. For each m/z values ion chromatogram was extracted with m/z thresholds of 0.005 dalton and retention time threshold of 0.10 minute. Apex of the extracted ion chromatograph was used as peak height value and exported to a txt file. Peak height files for all the samples were merged together to generate a data matrix. Targeted peak height signal extraction was performed using an R script. Extracted ion chromatograms for each peak were saved as pictures. CSH-POS and CSH-NEG data matrices were generated. No normalization was applied as minimum signal drift was observed during analysis."},

"MS_METABOLITE_DATA":{
"Units":"normalized peak height",

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40:6e; PE 18:0e/22:6; [M-H]-","Type":"TargetCPD","Adduct":"[M-H]-","AcylChain":"18:0e/22:6","AnnotationApproach":"MZ_MSMS","retention times":"5.8098622","m/z":"776.5613","InChiKey":"CFLIAMAPAOTPGM-NPBPTTFKNA-N"},{"Metabolite":"PC 32:1e; PC 16:1e/16:0; [M+Hac-H]-","Type":"TargetCPD","Adduct":"[M+Hac-H]-","AcylChain":"16:1e/16:0","AnnotationApproach":"MZ_MSMS","retention times":"5.6329586","m/z":"776.5828","InChiKey":"BXQUYBIIGCTQFV-VLGSPTGONA-N"},{"Metabolite":"PG 36:0; PG 17:0-19:0; [M-H]-","Type":"TargetCPD","Adduct":"[M-H]-","AcylChain":"17:0-19:0","AnnotationApproach":"MZ_MSMS","retention times":"5.51706","m/z":"777.563","InChiKey":"VRXBINAFDUHENA-UHFFFAOYNA-N"},{"Metabolite":"PE 40:5e; PE 18:0e/22:5; [M-H]-","Type":"TargetCPD","Adduct":"[M-H]-","AcylChain":"18:0e/22:5","AnnotationApproach":"MZ_MSMS","retention times":"6.0020003","m/z":"778.576","InChiKey":"WHJAXVALSIXNQX-MRYVCTGMNA-N"},{"Metabolite":"PC 32:0e; PC 16:0e/16:0; 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}

}