{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002191","ANALYSIS_ID":"AN003586","VERSION":"1","CREATED_ON":"June 2, 2022, 5:46 pm"},

"PROJECT":{"PROJECT_TITLE":"Protective effects of maternal PQQ on hepatic lipid metabolism throughout the lifespan","PROJECT_TYPE":"Diet study and fetal programming","PROJECT_SUMMARY":"Maternal obesity and consumption of a high-fat diet significantly elevate risk for pediatric non-alcoholic fatty liver disease (NAFLD), affecting 10% of children in the US. Almost half of these children are diagnosed with nonalcoholic steatohepatitis (NASH), a leading etiology for liver transplant. Animal models show that signs of liver injury and perturbed lipid metabolism asso-ciated with NAFLD begin in utero; however, safe dietary therapeutics to blunt developmental programming of NAFLD are unavailable. Using a mouse model of maternal Western-style diet (WD), we previously showed that pyrroloquinoline quinone (PQQ), a potent dietary antioxidant, protected offspring of WD-fed dams from development of NAFLD and NASH. Here, we used untargeted mass spectrometry-based lipidomics to delineate lipotoxic effects of WD on offspring liver and identify lipid targets of PQQ. PQQ exposure during pregnancy altered hepatic lipid profiles of WD-exposed offspring, upregulating peroxisome proliferator-activated receptor (PPAR) α signaling and mitochondrial fatty acid oxidation to markedly attenuate triglyceride accumulation beginning in utero. Surprisingly, the abundance of very long-chain ceramides, important in promoting gut barrier and hepatic function, was significantly elevated in PQQ-treated offspring. PQQ exposure reduced the hepatic phosphatidylcho-line/phosphatidylethanolamine (PC/PE) ratio in WD-fed offspring and improved glucose toler-ance. Notably, levels of protective n − 3 polyunsaturated fatty acids (PUFAs) were elevated in offspring exposed to PQQ, beginning in utero, and the increase in n − 3 PUFAs persisted into adulthood. Our findings suggest that PQQ supplementation during gestation and lactation augments pathways involved in the biosynthesis of long-chain fatty acids and plays a unique role in modifying specific bioactive lipid species critical for protection against NAFLD risk in later life.","INSTITUTE":"University of Oklahoma Health Sciences Center","DEPARTMENT":"Biochemistry and Molecular Biology, Harold Hamm Diabetes Center","LABORATORY":"Jonscher","LAST_NAME":"Jonscher","FIRST_NAME":"Karen","ADDRESS":"975 NE 10th Street BRC-N 362A, Oklahoma City, OK, 73104, USA","EMAIL":"karen-jonscher@ouhsc.edu","PHONE":"3032294620","FUNDING_SOURCE":"NIDDK"},

"STUDY":{"STUDY_TITLE":"Amelioration of developmental programming of NAFLD in fetal liver using PQQ","STUDY_TYPE":"Diet and PQQ treatment","STUDY_SUMMARY":"Maternal obesity and consumption of a high-fat diet significantly elevate risk for pediatric non-alcoholic fatty liver disease (NAFLD), affecting 10% of children in the US. Almost half of these children are diagnosed with nonalcoholic steatohepatitis (NASH), a leading etiology for liver transplant. Animal models show that signs of liver injury and perturbed lipid metabolism asso-ciated with NAFLD begin in utero; however, safe dietary therapeutics to blunt developmental programming of NAFLD are unavailable. Using a mouse model of maternal Western-style diet (WD), we previously showed that pyrroloquinoline quinone (PQQ), a potent dietary antioxidant, protected offspring of WD-fed dams from development of NAFLD and NASH. Here, we used untargeted mass spectrometry-based lipidomics to delineate lipotoxic effects of WD on offspring liver and identify lipid targets of PQQ. PQQ exposure during pregnancy altered hepatic lipid profiles of WD-exposed offspring, upregulating peroxisome proliferator-activated receptor (PPAR) α signaling and mitochondrial fatty acid oxidation to markedly attenuate triglyceride accumulation beginning in utero. Surprisingly, the abundance of very long-chain ceramides, important in promoting gut barrier and hepatic function, was significantly elevated in PQQ-treated offspring. PQQ exposure reduced the hepatic phosphatidylcho-line/phosphatidylethanolamine (PC/PE) ratio in WD-fed offspring and improved glucose toler-ance. Notably, levels of protective n − 3 polyunsaturated fatty acids (PUFAs) were elevated in offspring exposed to PQQ, beginning in utero, and the increase in n − 3 PUFAs persisted into adulthood. Our findings suggest that PQQ supplementation during gestation and lactation augments pathways involved in the biosynthesis of long-chain fatty acids and plays a unique role in modifying specific bioactive lipid species critical for protection against NAFLD risk in later life.","INSTITUTE":"University of Oklahoma Health Sciences Center","DEPARTMENT":"Biochemistry and Molecular Biology, Harold Hamm Diabetes Center","LABORATORY":"Jonscher","LAST_NAME":"Jonscher","FIRST_NAME":"Karen","ADDRESS":"975 NE 10th Street BRC-N 362A, Oklahoma City, OK, 73104, USA","EMAIL":"karen-jonscher@ouhsc.edu","PHONE":"3032294620","NUM_GROUPS":"3","TOTAL_SUBJECTS":"9","PUBLICATIONS":"Jonscher, et al FASEB J 2017; Friedman, et al Hepatol Commun 2018"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090","AGE_OR_AGE_RANGE":"E18.5","GENDER":"Male and female","ANIMAL_HOUSING":"Vivarium University of Colorado Anschutz Medical Campus","ANIMAL_LIGHT_CYCLE":"12/12","ANIMAL_FEED":"CH; D12450B; Research Diets, New Brunswick, NJ, USA or H.D  D12451; Research Diets","ANIMAL_WATER":"Water or treated with 1.25 mg/L PQQ"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"F1421",
"Factors":{"Diet":"CH"}
},
{
"Subject ID":"-",
"Sample ID":"F1433",
"Factors":{"Diet":"CH"}
},
{
"Subject ID":"-",
"Sample ID":"F1429",
"Factors":{"Diet":"CH"}
},
{
"Subject ID":"-",
"Sample ID":"F1422",
"Factors":{"Diet":"HFD"}
},
{
"Subject ID":"-",
"Sample ID":"F1423",
"Factors":{"Diet":"HFD"}
},
{
"Subject ID":"-",
"Sample ID":"F1430",
"Factors":{"Diet":"HFD"}
},
{
"Subject ID":"-",
"Sample ID":"F929",
"Factors":{"Diet":"HFDPQQ"}
},
{
"Subject ID":"-",
"Sample ID":"F931",
"Factors":{"Diet":"HFDPQQ"}
},
{
"Subject ID":"-",
"Sample ID":"F936",
"Factors":{"Diet":"HFDPQQ"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Livers were excised and snap frozen then sent to the Metabolomics Core at the University of Colorado Anschutz Medical Campus for analysis following standard protocols.","SAMPLE_TYPE":"Liver","STORAGE_CONDITIONS":"-80℃","COLLECTION_VIALS":"Cryotubes","STORAGE_VIALS":"Cryotubes"},

"TREATMENT":{"TREATMENT_SUMMARY":"Dams were fed either chow (CH) or high fat diet (HFD), with or without PQQ in drinking water.","TREATMENT":"HFD and PQQ","TREATMENT_COMPOUND":"BioPQQ","TREATMENT_ROUTE":"Drinking water, ad libitem","TREATMENT_DOSE":"1.25 mg/L","TREATMENT_DOSEDURATION":"6 weeks","TREATMENT_VEHICLE":"drinking water"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Tissue was homogenized and lipids extracted following standard protocols at the Metabolomics Core at the University of Colorado Anschutz Medical Campus.","SAMPLEPREP_PROTOCOL_FILENAME":"Fetal_and_weanling_lipid_protocols.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"The analytical platform employed a Vanquish UHPLC system (Thermo Fisher Scientific, San Jose, CA, USA) coupled online to a Q Exactive mass spectrometer (Thermo Fisher Scientific, San Jose, CA, USA). Lipidomics analyses were performed as described in previous method papers and application notes. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7640979/ https://www.haematologica.org/article/view/9990, https://www.haematologica.org/article/view/9990 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7640979/, https://pubmed.ncbi.nlm.nih.gov/31119660/","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Vanquish","COLUMN_NAME":"Waters Acquity BEH HSS T3 (100 x 2.1mm, 1.8um)","METHODS_FILENAME":"Fetal_and_weanling_lipid_protocols.pdf"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","ANALYSIS_PROTOCOL_FILE":"Fetal_and_weanling_lipid_protocols.pdf"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"See attached file"},

"MS_METABOLITE_DATA":{
"Units":"Peak area",

"Data":[{"Metabolite":"Glycerol 3-phosphate","F1421":"23390230","F1433":"32925280","F1429":"22763250","F1422":"29917390","F1423":"23291330","F1430":"23950110","F929":"24928490","F931":"32463140","F936":"27458310"},{"Metabolite":"Ethanolamine phosphate","F1421":"7162556","F1433":"7897104","F1429":"6115700","F1422":"6433012","F1423":"5415940","F1430":"4941298","F929":"8574480","F931":"9321015","F936":"8473217"},{"Metabolite":"Sphingosine","F1421":"199651","F1433":"1326067","F1429":"181624.9","F1422":"310513","F1423":"100147.4","F1430":"215913.2","F929":"296365.2","F931":"265243.3","F936":"256977.8"},{"Metabolite":"sn-glycero-3-Phosphoethanolamine","F1421":"6675782","F1433":"10044500","F1429":"10753160","F1422":"6026332","F1423":"10766020","F1430":"5740242","F929":"4188019","F931":"5906350","F936":"3969156"},{"Metabolite":"Acetylcholine","F1421":"13995600","F1433":"10252860","F1429":"17234240","F1422":"12543550","F1423":"15983760","F1430":"10878590","F929":"9547160","F931":"12437810","F936":"12582080"},{"Metabolite":"acetyl-carnitine","F1421":"191325100","F1433":"143642000","F1429":"194476500","F1422":"168806000","F1423":"140995200","F1430":"178724700","F929":"170088500","F931":"172397000","F936":"132161600"},{"Metabolite":"propionyl-carnitine","F1421":"16601520","F1433":"11967100","F1429":"14216720","F1422":"15219030","F1423":"13078460","F1430":"19384790","F929":"11312310","F931":"10878240","F936":"11103520"},{"Metabolite":"butanoyl-l-carnitine","F1421":"44690330","F1433":"25018240","F1429":"34747600","F1422":"34905530","F1423":"24325040","F1430":"56124740","F929":"20079200","F931":"26987280","F936":"27555550"},{"Metabolite":"acyl-C4-OH","F1421":"6517292","F1433":"5076480","F1429":"6811072","F1422":"6975950","F1423":"5176616","F1430":"6468748","F929":"11470880","F931":"5703582","F936":"4198666"},{"Metabolite":"acyl-C5","F1421":"40699420","F1433":"28093110","F1429":"32050840","F1422":"36135380","F1423":"22785080","F1430":"59051340","F929":"14670400","F931":"45741990","F936":"42397380"},{"Metabolite":"acyl-C5:1","F1421":"133743.1","F1433":"161432","F1429":"90893.81","F1422":"146302.5","F1423":"103164.9","F1430":"143917.1","F929":"87242.57","F931":"136948.1","F936":"168099.5"},{"Metabolite":"acyl-C5-OH","F1421":"1430665","F1433":"1362407","F1429":"1299455","F1422":"1462531","F1423":"1582467","F1430":"1512601","F929":"1058045","F931":"1755152","F936":"1117115"},{"Metabolite":"hexanoyl-L-carnitine","F1421":"15419870","F1433":"14558190","F1429":"19812480","F1422":"16662830","F1423":"7764304","F1430":"19048460","F929":"9513203","F931":"11763970","F936":"12595920"},{"Metabolite":"L-octanoylcarnitine","F1421":"3202333","F1433":"3301356","F1429":"4174105","F1422":"2555053","F1423":"1968351","F1430":"3260072","F929":"1748617","F931":"1930174","F936":"2521519"},{"Metabolite":"octenoyl-l-carnitine","F1421":"909322.2","F1433":"310017","F1429":"845498","F1422":"759126.2","F1423":"2020192","F1430":"2163723","F929":"317605.3","F931":"622584.4","F936":"735405.1"},{"Metabolite":"O-Decanoyl-L-carnitine","F1421":"923082.8","F1433":"38577.05","F1429":"734505.2","F1422":"489099.4","F1423":"883988","F1430":"882292.9","F929":"339625.4","F931":"295051.3","F936":"580985.8"},{"Metabolite":"O-Decenoyl-L-carnitine","F1421":"911473.3","F1433":"346974.3","F1429":"708712.8","F1422":"459340.7","F1423":"1083072","F1430":"985780.8","F929":"195177.1","F931":"341390.8","F936":"707651"},{"Metabolite":"O-dodecenoyl-carnitine","F1421":"237876.2","F1433":"236.4534","F1429":"134077.1","F1422":"479597.6","F1423":"905148.5","F1430":"865658.8","F929":"95280.95","F931":"2747.911","F936":"376144.2"},{"Metabolite":"acyl-C18:2","F1421":"39669.75","F1433":"5418.3071","F1429":"4888.7261","F1422":"17254.9707","F1423":"6836.019","F1430":"5099.7544","F929":"17847.6191","F931":"3823.623","F936":"20174.3594"},{"Metabolite":"Hexanoic acid (caproate)","F1421":"245259.1","F1433":"185548.3","F1429":"234116.9","F1422":"198638.9","F1423":"165109.7","F1430":"206111.1","F929":"179336.4","F931":"201633.9","F936":"208105.4"},{"Metabolite":"Heptanoic acid","F1421":"271714.6","F1433":"195802.1","F1429":"492508.7","F1422":"242777.5","F1423":"427410.6","F1430":"329739.1","F929":"315814.4","F931":"269372.1","F936":"264909.6"},{"Metabolite":"Octanoic acid (caprylate)","F1421":"1619485","F1433":"973596.9","F1429":"2507355","F1422":"1397839","F1423":"2275459","F1430":"1865628","F929":"1592026","F931":"1477733","F936":"1269216"},{"Metabolite":"Nonanoic acid (pelargonate)","F1421":"11769640","F1433":"7349782","F1429":"24109850","F1422":"10031150","F1423":"21800980","F1430":"17172440","F929":"13260320","F931":"9760401","F936":"9587083"},{"Metabolite":"Decanoic acid (caprate)","F1421":"6918562","F1433":"5268190","F1429":"11271380","F1422":"5836652","F1423":"9329692","F1430":"8546555","F929":"7090460","F931":"6342300","F936":"6831002"},{"Metabolite":"Dodecanoic acid","F1421":"3057294","F1433":"2162777","F1429":"5348204","F1422":"2793558","F1423":"4904217","F1430":"3787218","F929":"3333989","F931":"2809897","F936":"3345415"},{"Metabolite":"Tetradecanoic acid","F1421":"4541273","F1433":"3490463","F1429":"8638704","F1422":"4106661","F1423":"8179296","F1430":"5020210","F929":"4752244","F931":"5251664","F936":"3938046"},{"Metabolite":"Hexadecanoic acid","F1421":"69643220","F1433":"49661200","F1429":"73463350","F1422":"56507180","F1423":"77357110","F1430":"55373960","F929":"51357140","F931":"56130160","F936":"53253840"},{"Metabolite":"Octadecanoic acid","F1421":"326311.5","F1433":"8173510","F1429":"12226840","F1422":"10628300","F1423":"13608640","F1430":"276409.4","F929":"8960799","F931":"9108203","F936":"8413819"},{"Metabolite":"Tetradecenoic acid","F1421":"109162","F1433":"38520.89","F1429":"63713.89","F1422":"34049.19","F1423":"81995.48","F1430":"36544.57","F929":"88669.73","F931":"52710.83","F936":"43416.4"},{"Metabolite":"Hexadecenoic acid","F1421":"4231237","F1433":"1392907","F1429":"1923991","F1422":"1636558","F1423":"2810769","F1430":"1564576","F929":"1963399","F931":"2330909","F936":"2096336"},{"Metabolite":"Octadecenoic acid","F1421":"16304040","F1433":"9394273","F1429":"11360870","F1422":"9431824","F1423":"18551590","F1430":"10991400","F929":"10081720","F931":"11006710","F936":"11733860"},{"Metabolite":"Linoleate","F1421":"3267780","F1433":"1188314","F1429":"1570829","F1422":"3246954","F1423":"4272002","F1430":"4210676","F929":"4197284","F931":"4982648","F936":"5113484"},{"Metabolite":"Octadecatrienoic acid","F1421":"239906.9","F1433":"97973.04","F1429":"164665.7","F1422":"249019.3","F1423":"412693.4","F1430":"351155.3","F929":"361706.9","F931":"522766.5","F936":"314048.2"},{"Metabolite":"Eicosapentaenoic acid","F1421":"155221.2","F1433":"148105.6","F1429":"204982.5","F1422":"170118.6","F1423":"125878.9","F1430":"198936.6","F929":"247297.4","F931":"195672.9","F936":"245980.3"},{"Metabolite":"Docosahexaenoic acid","F1421":"2879609","F1433":"3372777","F1429":"3758820","F1422":"2874249","F1423":"2271199","F1430":"3459187","F929":"4025628","F931":"4345042","F936":"4985176"},{"Metabolite":"Dodecanedioic acid","F1421":"59626.71","F1433":"98458.4","F1429":"79373.37","F1422":"52266.91","F1423":"98709.41","F1430":"82912.66","F929":"49303.3","F931":"80572.49","F936":"58293.36"},{"Metabolite":"(8Z-11Z-14Z)-Icosatrienoic acid","F1421":"2110.469","F1433":"171732.9","F1429":"210308.9","F1422":"218081.9","F1423":"489104.8","F1430":"301721.6","F929":"246702.1","F931":"302509.5","F936":"351880.2"},{"Metabolite":"(5Z-8Z-11Z-14Z-17Z)-Icosapentaenoic acid","F1421":"155221.2","F1433":"148105.6","F1429":"204982.5","F1422":"170118.6","F1423":"125878.9","F1430":"198936.6","F929":"247297.4","F931":"195672.9","F936":"245980.3"},{"Metabolite":"(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid","F1421":"734525.8","F1433":"542462.5","F1429":"538314.2","F1422":"439504.2","F1423":"411331.7","F1430":"438783.6","F929":"327121.2","F931":"616619.5","F936":"736874.4"},{"Metabolite":"alpha-tocopheronolactone","F1421":"138637.7","F1433":"198007.7","F1429":"219184.4","F1422":"130836.7","F1423":"186752","F1430":"174677.5","F929":"142490.1","F931":"156646.5","F936":"142643"},{"Metabolite":"dihydroxy-octadecanoic acid","F1421":"221330.5","F1433":"165038.9","F1429":"234303.3","F1422":"214901.8","F1423":"309020.8","F1430":"173280.5","F929":"175279.2","F931":"162061.5","F936":"180813.3"},{"Metabolite":"hydroxy-dodecanedioic acid","F1421":"9919.655","F1433":"25743.35","F1429":"10677.34","F1422":"8697.329","F1423":"10168.47","F1430":"10293.52","F929":"8885.859","F931":"12178.36","F936":"9698.655"},{"Metabolite":"dihydroxy-hexadecanoic acid","F1421":"30191.84","F1433":"54567.36","F1429":"39577.47","F1422":"14863","F1423":"27503.73","F1430":"24007.42","F929":"16490.03","F931":"30991.38","F936":"20472.73"},{"Metabolite":"trihydroxy-octadecenoic acid","F1421":"805270","F1433":"616753.4","F1429":"935829.5","F1422":"866411.7","F1423":"868792.1","F1430":"1030615","F929":"930512.3","F931":"803821.7","F936":"998309.2"},{"Metabolite":"epoxy-octadecanoic acid","F1421":"26822.23","F1433":"11489.33","F1429":"31577.75","F1422":"29422.07","F1423":"29297.73","F1430":"37791.91","F929":"31123.28","F931":"25382.42","F936":"27806.12"},{"Metabolite":"Taurocholate","F1421":"321378.7","F1433":"266144.5","F1429":"441322.4","F1422":"440002.7","F1423":"3182788","F1430":"555040.2","F929":"148899.8","F931":"292554","F936":"199945"},{"Metabolite":"Taurochenodeoxycholate","F1421":"921805.6","F1433":"832967.2","F1429":"531612.3","F1422":"575879.2","F1423":"1591181","F1430":"650936.4","F929":"392364.5","F931":"691029.5","F936":"356146.2"},{"Metabolite":"3alpha-12alpha-Dihydroxy-5beta-cholanate","F1421":"14649.67","F1433":"15265.93","F1429":"11708.06","F1422":"9135.409","F1423":"8874.052","F1430":"8364.816","F929":"10649.02","F931":"14941.53","F936":"10485.64"},{"Metabolite":"Sulfoglycolithocholate","F1421":"0","F1433":"678.5701","F1429":"0","F1422":"0","F1423":"5374.861","F1430":"0","F929":"1434.017","F931":"1205.688","F936":"0"},{"Metabolite":"13(S)-HODE","F1421":"69856.35","F1433":"40859.4","F1429":"32867.13","F1422":"45969.26","F1423":"85070.42","F1430":"42297.97","F929":"34855.14","F931":"42303.57","F936":"51671.45"},{"Metabolite":"11(R)-HPETE/Leukotriene B4 (isobars)","F1421":"7774.799","F1433":"6194.896","F1429":"10703.55","F1422":"2578.541","F1423":"11900.89","F1430":"2553.817","F929":"7692.484","F931":"5729.36","F936":"1769.658"},{"Metabolite":"Prostaglandin D2/Thromboxane A2 (isobars)","F1421":"850237.3","F1433":"479131.7","F1429":"758861.6","F1422":"607700.1","F1423":"832710.2","F1430":"539279.7","F929":"569598.4","F931":"699958.2","F936":"585292.7"},{"Metabolite":"Prostaglandin D3 (isobars)","F1421":"40434.65","F1433":"5618.348","F1429":"17858.81","F1422":"14490.56","F1423":"21167.65","F1430":"10868.68","F929":"15599.2","F931":"25468.05","F936":"17235.13"},{"Metabolite":"Prostaglandin G2","F1421":"4938.058","F1433":"6096.612","F1429":"5749.274","F1422":"8470.747","F1423":"3905.257","F1430":"5297.489","F929":"8906.157","F931":"3954.064","F936":"3195.785"},{"Metabolite":"2-3-Dinor-8-iso prostaglandin F2alpha","F1421":"26386.77","F1433":"8026.851","F1429":"31529.31","F1422":"30818.63","F1423":"62379.54","F1430":"40279.18","F929":"49007.34","F931":"30248.74","F936":"50255.06"},{"Metabolite":"Cholesterol sulfate","F1421":"162040.3","F1433":"307561.9","F1429":"138002.4","F1422":"120359.1","F1423":"183922.8","F1430":"128316.4","F929":"93357.49","F931":"240237.4","F936":"273525.8"},{"Metabolite":"Cortisol","F1421":"272651.8","F1433":"247049.6","F1429":"877949","F1422":"677864.4","F1423":"548836.5","F1430":"442543.8","F929":"370956.6","F931":"615611.2","F936":"80495.83"},{"Metabolite":"Cortisone","F1421":"11282.64","F1433":"2500.881","F1429":"5146.375","F1422":"1076.014","F1423":"1585.059","F1430":"701.1421","F929":"1069.543","F931":"5187.057","F936":"954.926"},{"Metabolite":"Mesterolone","F1421":"4940404","F1433":"3563484","F1429":"3180736","F1422":"3722214","F1423":"2909801","F1430":"4208940","F929":"3512462","F931":"5281398","F936":"5933758"},{"Metabolite":"N-hexadecanoyl-ethanolamine","F1421":"199651","F1433":"3312.854","F1429":"3379.287","F1422":"0","F1423":"3472.577","F1430":"4644.289","F929":"3228.104","F931":"4358.341","F936":"16421.81"},{"Metabolite":"N-(Hexadecanoyl)-ethanolamine","F1421":"199651","F1433":"3312.854","F1429":"3379.287","F1422":"0","F1423":"3472.577","F1430":"4644.289","F929":"3228.104","F931":"4358.341","F936":"16421.81"},{"Metabolite":"N-(5Z_8Z_11Z_14Z-docosatetraenoyl)-ethanolamine","F1421":"79726.34","F1433":"31923.84","F1429":"154531.2","F1422":"66392.94","F1423":"144030","F1430":"99757.94","F929":"82535.6","F931":"97474.28","F936":"78558.01"},{"Metabolite":"N-(11Z_14Z-eicosadienoyl)-ethanolamine","F1421":"39215.15","F1433":"33963.08","F1429":"74663.99","F1422":"24668.97","F1423":"50729.55","F1430":"78319.78","F929":"34723.76","F931":"76538.53","F936":"47670.55"},{"Metabolite":"N-(11Z-eicosaenoyl)-ethanolamine","F1421":"120080","F1433":"115658","F1429":"253084.7","F1422":"84015.61","F1423":"221010","F1430":"166172.2","F929":"98576.74","F931":"134137.9","F936":"117831.1"},{"Metabolite":"1-octadecanoyl-sn-glycero-3-phosphoethanolamine","F1421":"1102096","F1433":"1026850","F1429":"1523640","F1422":"2136127","F1423":"1375354","F1430":"1221809","F929":"1724315","F931":"1335478","F936":"1580276"},{"Metabolite":"1-hexadecanoyl-sn-glycero-3-phosphoethanolamine","F1421":"227084.2","F1433":"228044.2","F1429":"285484.8","F1422":"497414.6","F1423":"330366.5","F1430":"300965.6","F929":"442838.2","F931":"411312.4","F936":"414337.6"},{"Metabolite":"1-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine","F1421":"73743.26","F1433":"79435.08","F1429":"107057.5","F1422":"97023.18","F1423":"137386.3","F1430":"74781.5","F929":"121156.9","F931":"93377.6","F936":"120155.5"},{"Metabolite":"1-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine","F1421":"483921.2","F1433":"297135.9","F1429":"676183.1","F1422":"564010.2","F1423":"606736.4","F1430":"596370.9","F929":"740908.5","F931":"376617.3","F936":"674146.9"},{"Metabolite":"1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine","F1421":"35891.33","F1433":"111942.1","F1429":"95614.87","F1422":"101970.2","F1423":"88937.23","F1430":"26606.6","F929":"99336.54","F931":"140373.9","F936":"133463.7"},{"Metabolite":"3-pentadecanoyl-sn-glycero-1-phosphocholine","F1421":"95279.81","F1433":"123029.9","F1429":"112119.6","F1422":"190862.8","F1423":"169505.4","F1430":"205744.8","F929":"209584.5","F931":"226356.3","F936":"204751.6"},{"Metabolite":"3-hexadecanoyl-sn-glycero-1-phosphocholine","F1421":"23456470","F1433":"21985030","F1429":"20823290","F1422":"35985050","F1423":"21634400","F1430":"22114670","F929":"34862420","F931":"24818180","F936":"32520800"},{"Metabolite":"2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine","F1421":"1377750","F1433":"5670564","F1429":"2243596","F1422":"2219000","F1423":"1228771","F1430":"1285317","F929":"1429162","F931":"1127746","F936":"1086186"},{"Metabolite":"2-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine","F1421":"149859.1","F1433":"123789","F1429":"246307.9","F1422":"187883.7","F1423":"254826.6","F1430":"118547.3","F929":"217213.8","F931":"153300.3","F936":"200165"}],

"Metabolites":[{"metabolite_name":"Glycerol 3-phosphate"},{"metabolite_name":"Ethanolamine phosphate"},{"metabolite_name":"Sphingosine"},{"metabolite_name":"sn-glycero-3-Phosphoethanolamine"},{"metabolite_name":"Acetylcholine"},{"metabolite_name":"acetyl-carnitine"},{"metabolite_name":"propionyl-carnitine"},{"metabolite_name":"butanoyl-l-carnitine"},{"metabolite_name":"acyl-C4-OH"},{"metabolite_name":"acyl-C5"},{"metabolite_name":"acyl-C5:1"},{"metabolite_name":"acyl-C5-OH"},{"metabolite_name":"hexanoyl-L-carnitine"},{"metabolite_name":"L-octanoylcarnitine"},{"metabolite_name":"octenoyl-l-carnitine"},{"metabolite_name":"O-Decanoyl-L-carnitine"},{"metabolite_name":"O-Decenoyl-L-carnitine"},{"metabolite_name":"O-dodecenoyl-carnitine"},{"metabolite_name":"acyl-C18:2"},{"metabolite_name":"Hexanoic acid (caproate)"},{"metabolite_name":"Heptanoic acid"},{"metabolite_name":"Octanoic acid (caprylate)"},{"metabolite_name":"Nonanoic acid (pelargonate)"},{"metabolite_name":"Decanoic acid (caprate)"},{"metabolite_name":"Dodecanoic acid"},{"metabolite_name":"Tetradecanoic acid"},{"metabolite_name":"Hexadecanoic acid"},{"metabolite_name":"Octadecanoic acid"},{"metabolite_name":"Tetradecenoic acid"},{"metabolite_name":"Hexadecenoic acid"},{"metabolite_name":"Octadecenoic acid"},{"metabolite_name":"Linoleate"},{"metabolite_name":"Octadecatrienoic acid"},{"metabolite_name":"Eicosapentaenoic acid"},{"metabolite_name":"Docosahexaenoic acid"},{"metabolite_name":"Dodecanedioic acid"},{"metabolite_name":"(8Z-11Z-14Z)-Icosatrienoic acid"},{"metabolite_name":"(5Z-8Z-11Z-14Z-17Z)-Icosapentaenoic acid"},{"metabolite_name":"(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid"},{"metabolite_name":"alpha-tocopheronolactone"},{"metabolite_name":"dihydroxy-octadecanoic acid"},{"metabolite_name":"hydroxy-dodecanedioic acid"},{"metabolite_name":"dihydroxy-hexadecanoic acid"},{"metabolite_name":"trihydroxy-octadecenoic acid"},{"metabolite_name":"epoxy-octadecanoic acid"},{"metabolite_name":"Taurocholate"},{"metabolite_name":"Taurochenodeoxycholate"},{"metabolite_name":"3alpha-12alpha-Dihydroxy-5beta-cholanate"},{"metabolite_name":"Sulfoglycolithocholate"},{"metabolite_name":"13(S)-HODE"},{"metabolite_name":"11(R)-HPETE/Leukotriene B4 (isobars)"},{"metabolite_name":"Prostaglandin D2/Thromboxane A2 (isobars)"},{"metabolite_name":"Prostaglandin D3 (isobars)"},{"metabolite_name":"Prostaglandin G2"},{"metabolite_name":"2-3-Dinor-8-iso prostaglandin F2alpha"},{"metabolite_name":"Cholesterol sulfate"},{"metabolite_name":"Cortisol"},{"metabolite_name":"Cortisone"},{"metabolite_name":"Mesterolone"},{"metabolite_name":"N-hexadecanoyl-ethanolamine"},{"metabolite_name":"N-(Hexadecanoyl)-ethanolamine"},{"metabolite_name":"N-(5Z_8Z_11Z_14Z-docosatetraenoyl)-ethanolamine"},{"metabolite_name":"N-(11Z_14Z-eicosadienoyl)-ethanolamine"},{"metabolite_name":"N-(11Z-eicosaenoyl)-ethanolamine"},{"metabolite_name":"1-octadecanoyl-sn-glycero-3-phosphoethanolamine"},{"metabolite_name":"1-hexadecanoyl-sn-glycero-3-phosphoethanolamine"},{"metabolite_name":"1-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine"},{"metabolite_name":"1-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine"},{"metabolite_name":"1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine"},{"metabolite_name":"3-pentadecanoyl-sn-glycero-1-phosphocholine"},{"metabolite_name":"3-hexadecanoyl-sn-glycero-1-phosphocholine"},{"metabolite_name":"2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine"},{"metabolite_name":"2-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine"}]
}

}