#METABOLOMICS WORKBENCH cwalker_bcm_20200124_113143 DATATRACK_ID:1905 STUDY_ID:ST001311 ANALYSIS_ID:AN002183 PROJECT_ID:PR000892 VERSION 1 CREATED_ON February 2, 2020, 6:51 pm #PROJECT PR:PROJECT_TITLE Lipidomic profiling after early-life exposure to an endocrine disrupting PR:PROJECT_TITLE chemical in the liver. PR:PROJECT_TYPE Untargeted MS analysis PR:PROJECT_SUMMARY Lipidomic profiling in the liver after early-life exposure to an endocrine PR:PROJECT_SUMMARY disrupting chemical. PR:INSTITUTE Baylor College of Medicine PR:LAST_NAME Walker PR:FIRST_NAME Cheryl PR:ADDRESS 1 Baylor Plaza, Houston, TX, 77030, USA PR:EMAIL Cheryl.walker@bcm.edu PR:PHONE 713-798-8219 #STUDY ST:STUDY_TITLE Lipid expression in liver after early lifer exposure to an endocrine disruptor ST:STUDY_TITLE at 70 days postnatal in the liver (part-II) ST:STUDY_TYPE Lipid expression after chemical exposure versus control ST:STUDY_SUMMARY Our early-life environment has a profound influence on developing organs that ST:STUDY_SUMMARY impact metabolic function and determines disease susceptibility across the ST:STUDY_SUMMARY life-course. Using a rat model for exposure to an endocrine disrupting chemical ST:STUDY_SUMMARY (EDC), we show that early-life exposure causes metabolic dysfunction in ST:STUDY_SUMMARY adulthood and reprograms histone marks in the developing liver to accelerate ST:STUDY_SUMMARY acquisition of an adult epigenomic signature. This epigenomic reprogramming ST:STUDY_SUMMARY persists long after the initial exposure, but many reprogrammed genes remain ST:STUDY_SUMMARY transcriptionally silent with their impact on metabolism not revealed until a ST:STUDY_SUMMARY later life exposure to a Western-style diet. Diet-dependent metabolic disruption ST:STUDY_SUMMARY was largely driven by reprogramming of the Early Growth Response 1 (EGR1) ST:STUDY_SUMMARY transcriptome and production of metabolites in pathways linked to cholesterol, ST:STUDY_SUMMARY lipid and one-carbon metabolism. These findings demonstrate the importance of ST:STUDY_SUMMARY epigenome:environment interactions, which early in life accelerate epigenomic ST:STUDY_SUMMARY aging, and later in adulthood unlock metabolically restricted epigenetic ST:STUDY_SUMMARY reprogramming to drive metabolic dysfunction. ST:INSTITUTE Baylor College of Medicine ST:LAST_NAME Walker ST:FIRST_NAME Cheryl ST:ADDRESS 1 Baylor Plaza, Houston, TX, 77030, USA ST:EMAIL Cheryl.walker@bcm.edu ST:PHONE 713-798-8219 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 10 ST:NUM_MALES 10 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 SU:GENOTYPE_STRAIN Sprague Dawley SU:AGE_OR_AGE_RANGE 70 days old SU:GENDER Male SU:ANIMAL_ANIMAL_SUPPLIER Harlan SU:ANIMAL_HOUSING polycarbonate-free caging SU:ANIMAL_LIGHT_CYCLE 14-hr light and 10-hr dark SU:ANIMAL_FEED Phytoestrogen Reduced II 18-5, Ziegler Bros, Inc #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - ncV1 Treatment:vehicle Day of Liver Harvest Post-Birth=70; BPA_exposure=0 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet SUBJECT_SAMPLE_FACTORS - ncV2 Treatment:vehicle Day of Liver Harvest Post-Birth=70; BPA_exposure=0 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet SUBJECT_SAMPLE_FACTORS - ncV3 Treatment:vehicle Day of Liver Harvest Post-Birth=70; BPA_exposure=0 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet SUBJECT_SAMPLE_FACTORS - ncV4 Treatment:vehicle Day of Liver Harvest Post-Birth=70; BPA_exposure=0 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet SUBJECT_SAMPLE_FACTORS - ncV5 Treatment:vehicle Day of Liver Harvest Post-Birth=70; BPA_exposure=0 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet SUBJECT_SAMPLE_FACTORS - ncB1 Treatment:BPA Day of Liver Harvest Post-Birth=70; BPA_exposure=50 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet SUBJECT_SAMPLE_FACTORS - ncB2 Treatment:BPA Day of Liver Harvest Post-Birth=70; BPA_exposure=50 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet SUBJECT_SAMPLE_FACTORS - ncB3 Treatment:BPA Day of Liver Harvest Post-Birth=70; BPA_exposure=50 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet SUBJECT_SAMPLE_FACTORS - ncB4 Treatment:BPA Day of Liver Harvest Post-Birth=70; BPA_exposure=50 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet SUBJECT_SAMPLE_FACTORS - ncB5 Treatment:BPA Day of Liver Harvest Post-Birth=70; BPA_exposure=50 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet #COLLECTION CO:COLLECTION_SUMMARY Liver tissue was harvested on post-natal day 70 . Tissue was snap-frozen in CO:COLLECTION_SUMMARY liquid nitrogen. CO:SAMPLE_TYPE Liver #TREATMENT TR:TREATMENT_SUMMARY Neonatal rats were treated with vehicle (sesame oil) or bisphenol A (BPA; 50 TR:TREATMENT_SUMMARY µg/kg dissolved in sesame oil) orally via pipette tip on post-natal days 1, 3, TR:TREATMENT_SUMMARY and 5. Littermates were randomly assigned to the treatment groups. BPA was TR:TREATMENT_SUMMARY obtained from the National Institute of Environmental Health Sciences (NIEHS). TR:TREATMENT_SUMMARY The dose and route of administration recapitulates human exposure to BPA. Tissue TR:TREATMENT_SUMMARY was harvested on postnatal day 70. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Lipids were extracted using a modified Bligh-Dyer method. Fifty µL of serum and SP:SAMPLEPREP_SUMMARY 25 mg of crushed liver was used for the extraction. The extraction was carried SP:SAMPLEPREP_SUMMARY out using 2:2:2 volume ratio of water/methanol/dichloromethane at room SP:SAMPLEPREP_SUMMARY temperature after spiking internal standards 17:0 LPC, 17:0 PC, 17:0 PE, 17:0 SP:SAMPLEPREP_SUMMARY PG, 17:0 ceramide, 17:0 SM, 17:0PS, 17:0PA, 17:0 TAG, 17:0 MAG, 16:0/18:1 DAG, SP:SAMPLEPREP_SUMMARY 17:0 CE. The organic layer was collected and completely dried under nitrogen. SP:SAMPLEPREP_SUMMARY Before MS analysis, the dried extract was resuspended in 100 μL of Buffer B SP:SAMPLEPREP_SUMMARY (10:5:85 Acetonitrile/water/Isopropyl alcohol) containing 10 mM NH4OAc and SP:SAMPLEPREP_SUMMARY subjected to LC/MS. The lipidome was separated using reverse-phase SP:SAMPLEPREP_SUMMARY chromatography. SP:SAMPLEPREP_PROTOCOL_FILENAME unbiased.liver.MS.method.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Shimadzu Nexera-x2 CH:COLUMN_NAME 1.8 µm particle 50 × 2.1 mm #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 5600 TripleTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS For data acquisition through LC/MS analysis, we used a Shimadzu CTO-20A Nexera MS:MS_COMMENTS X2 UHPLC system equipped with a degasser, binary pump, thermostatted auto MS:MS_COMMENTS sampler, and a column oven for chromatographic separation. The column heater MS:MS_COMMENTS temperature was set at 55°C. For lipid separation, the 5 uL of the lipid MS:MS_COMMENTS extract was injected into a 1.8 μm particle 50 × 2.1 mm Acquity HSS UPLC T3 MS:MS_COMMENTS column (Waters, Milford, MA) which heats to 55°C. Acetonitrile/water (40:60, MS:MS_COMMENTS v/v) with 10 mM ammonium acetate was solvent A and MS:MS_COMMENTS acetonitrile/water/isopropanol (10:5:85 v/v) with 10 mM ammonium acetate was MS:MS_COMMENTS solvent B. For chromatographic elution we used a linear gradient over a 20 min MS:MS_COMMENTS total run time, with 60% solvent A and 40% solvent B gradient in the first 10 MS:MS_COMMENTS minutes, then the gradient was ramped in a linear fashion to 100% solvent B MS:MS_COMMENTS which was maintained for 7 minutes. After that the system was switched back to MS:MS_COMMENTS 60% solvent B and 40% solvent A for 3 minutes. The flow rate used for these MS:MS_COMMENTS experiments was 0.4 mL/min and the injection volume was 5μL. The column was MS:MS_COMMENTS equilibrated for 3 min before the next injection and run at a flow rate of 0.4 MS:MS_COMMENTS mL/min for a total run time of 20 min. The data acquisition of each sample was MS:MS_COMMENTS performed in both positive and negative ionization modes using a TripleTOF 5600 MS:MS_COMMENTS equipped with a Turbo VTM ion source (AB Sciex, Concord, Canada). The column MS:MS_COMMENTS effluent was directed to the electrospray ionization source. The voltage of MS:MS_COMMENTS source was set to 5500 V for positive ionization and 4500 V for negative MS:MS_COMMENTS ionization mode, the declustering potential was set to 60 V, and the source MS:MS_COMMENTS temperature to 450oC for both modes. The curtain gas flow, nebulizer, and heater MS:MS_COMMENTS gas were set to 30, 40, and 45 units, respectively. The instrument performed one MS:MS_COMMENTS TOF MS survey scan (150 ms) and 15 MS/MS scans with a total duty cycle time of MS:MS_COMMENTS 2.4 s. The mass range in both modes was 50-1200 m/z. We controlled the MS:MS_COMMENTS acquisition of MS/MS spectra by data-dependent acquisition (DDA) function of the MS:MS_COMMENTS Analyst TF software (AB Sciex, Concord, Canada) with the following parameters: MS:MS_COMMENTS dynamic background subtraction, charge monitoring to exclude multiply charged MS:MS_COMMENTS ions and isotopes, and dynamic exclusion of former target ions for 9 s. Rolling MS:MS_COMMENTS collision energy spread was set whereby the software calculated the collision MS:MS_COMMENTS energy value to be applied as a function of m/z. Mass accuracy was maintained by MS:MS_COMMENTS the use of an automated calibrant delivery system interfaced to the second inlet MS:MS_COMMENTS of the DuoSpray source. Lipidomics Data Analysis. Raw data was converted to the MS:MS_COMMENTS mgf data format using proteoWizard software (2).The NIST MS PepSearch Program MS:MS_COMMENTS was used to search the converted files against LipidBlast libraries. The m/z MS:MS_COMMENTS width was determined by the mass accuracy of internal standards and were set to MS:MS_COMMENTS 0.001 for positive mode and to 0.005 for negative mode with an overall mass MS:MS_COMMENTS error of less than 2 parts per million. The minimum match factor used was set to MS:MS_COMMENTS 400. All raw data files were searched against the library of identified lipids MS:MS_COMMENTS based on mass and retention time using Multiquant 1.1.0.26 (ABsciex, Concord, MS:MS_COMMENTS Canada). Relative abundance of peak spectra was used for the analyses. Lipids MS:MS_COMMENTS that were identified in both positive and negative ion modes were initially MS:MS_COMMENTS analyzed separately for their relationship with outcome to ensure persistent MS:MS_COMMENTS results. As the relationship with outcome was not different in such lipids by MS:MS_COMMENTS ion modes, the values from positive mode were used in the final analysis. For MS:MS_COMMENTS lipid features with multiple adducts, the sum of spectral peaks from different MS:MS_COMMENTS adducts was used for the corresponding lipid. Identified lipids were quantified MS:MS_COMMENTS by normalizing against their respective internal standard. Quality control MS:MS_COMMENTS samples were used to monitor the overall quality of the lipid extraction and MS:MS_COMMENTS mass spectrometry analyses. The distributions of detected lipid species across MS:MS_COMMENTS the quality control samples indicated high reproducibility. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak intensity MS_METABOLITE_DATA_START Samples ncB1 ncB2 ncB3 ncB4 ncB5 ncV1 ncV2 ncV3 ncV4 ncV5 Factors Treatment:BPA Treatment:BPA Treatment:BPA Treatment:BPA Treatment:BPA Treatment:vehicle Treatment:vehicle Treatment:vehicle Treatment:vehicle Treatment:vehicle PG 36:3; [M-H]-; GPGro(18:1(11E)/18:2(2E,4E)) 2384909342.00 3592485866.00 6192106234.00 3463806173.00 5695746161.00 2791215845.00 5943781496.00 7082394913.00 6897727732.00 1292326416.00 PI 38:4; [M-H]-; GPIns(18:1(11E)/20:3(5Z,8Z,11Z)) 75845646.00 39060981.00 89118511.00 27156742.00 74011188.00 9665946.00 578387.00 3771227.00 88159182.00 55670802.00 PS 40:6; [M-H]-; GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 5761414415.00 7223811556.00 5956113486.00 9246892243.00 3902338277.00 9756666254.00 7712529232.00 613603008.00 8215613005.00 414363098.00 PS 38:4; [M-H]-; GPSer(18:0/20:4(5E,8E,11E,14E)) 32352061.00 29808423.00 62264332.00 10415099.00 78717342.00 39410361.00 96158708.00 6469052.00 29355085.00 31807001.00 PI 38:4; [M-H]-; GPIns(18:0/20:4(5E,8E,11E,14E)) 72043424.00 26258136.00 78364512.00 13748298.00 92865914.00 83831621.00 12627547.00 55920526.00 14350064.00 46117077.00 PG 34:1; [M-H]-; GPGro(16:0/18:1(11E)) 21007116.00 426686667.00 630149285.00 481592984.00 239187662.00 258529827.00 454860674.00 691085327.00 369151503.00 69020204.00 PE 34:3; [M-H]-; GPEtn(16:1(7Z)/18:2(2E,4E)) 403883726.00 571555803.00 711680788.00 666523023.00 495075258.00 7422359.00 581541948.00 137951844.00 958256437.00 723315818.00 PE 37:6; [M-H]-; GPEtn(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 561436782.00 891570163.00 129144358.00 326109268.00 721105.00 855337921.00 432527652.00 980981951.00 780247348.00 41986628.00 PI 38:3; [M-H]-; GPIns(18:0/20:3(5Z,8Z,11Z)) 749245665.00 463758212.00 539326485.00 9847592.00 5268514.00 610116845.00 715731038.00 24005539.00 44474598.00 927496972.00 PE 40:7; [M-H]-; GPEtn(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 165671674.00 884051782.00 147366983.00 168841659.00 255626988.00 992259965.00 914530627.00 465198883.00 883865357.00 487269761.00 PE 34:2; [M-H]-; GPEtn(16:0/18:2(2E,4E)) 61184876953.00 16926637741.00 9238780465.00 150387071.00 26061638.00 3583247801.00 452409308.00 3158650361.00 51221966555.00 7870195013.00 PE 36:3; [M-H]-; GPEtn(18:1(11E)/18:2(2E,4E)) 7335088.00 61447551.00 79357639.00 5744969.00 42646748.00 87793411.00 73777317.00 38212195.00 1499117.00 45295442.00 PA 34:0; [M-H]-; GPA(17:0/17:0) 8724915169.00 3418801799.00 1605904766.00 8511754483.00 187993741.00 1718333897.00 5884676191.00 6505377331.00 6585780086.00 525587223.00 PE 38:5; [M-H]-; GPEtn(18:1(11E)/20:4(5E,8E,11E,14E)) 65678177.00 81063487.00 77674325.00 16820871.00 5436672.00 37785169.00 47161928.00 98975029.00 472529.00 58193612.00 PE 39:6; [M-H]-; GPEtn(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 910773718.00 946213333.00 416343825.00 877678891.00 966865.00 627922959.00 286409107.00 941668383.00 311818113.00 352899411.00 PE 38:4; [M-H]-; GPEtn(18:1(11E)/20:3(5Z,8Z,11Z)) 51421159.00 46959218.00 29541026.00 61568062.00 24139912.00 67297381.00 14775842.00 63233355.00 23516434.00 95027467.00 PC 38:4; [M-CH3]-; GPCho(18:0/20:4(5E,8E,11E,14E)) 89242476.00 950222414.00 867563209.00 930404493.00 338165926.00 600096311.00 995011032.00 918931418.00 555824596.00 659920657.00 PG 36:0; [M-H]-; GPGro(17:0/19:0) 169126377.00 397454623.00 7457893763.00 5944155494.00 3188089375.00 4641535465.00 436983294.00 8923118124.00 7024228893.00 5665020302.00 PE 40:6; [M-H]-; GPEtn(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 6498469606.00 7537850351.00 7474182461.00 5982608053.00 7652718991.00 5240959699.00 5410386439.00 7894879457.00 624532301.00 5203761493.00 PE 38:4; [M-H]-; GPEtn(18:0/20:4(5E,8E,11E,14E)) 43918493506.00 90613472775.00 29675304237.00 72693960218.00 36630705341.00 52582374097.00 36821597174.00 72878537871.00 10832408797.00 5212577505.00 PE 42:7; [M-H]-; GPEtn(20:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 583440454.00 2655876359.00 605445774.00 18708476.00 338223835.00 9825667512.00 8350296007.00 84998773.00 8396443753.00 1928319953.00 PE 36:2; [M-H]-; GPEtn(18:0/18:2(2E,4E)) 65254969.00 52412307.00 81907395.00 5149879.00 19100192.00 36407917.00 46846905.00 9239508.00 99972114.00 29746236.00 PE 38:3; [M-H]-; GPEtn(18:0/20:3(5Z,8Z,11Z)) 97178106.00 851199797.00 70837161.00 467202612.00 802068567.00 719182222.00 292620469.00 692235387.00 536903625.00 578959494.00 PE 36:0; [M-H]-; GPEtn(17:0/19:0) 5359766344.00 5602078784.00 1437418286.00 9350085488.00 51216506.00 4315127739.00 9068739748.00 4604582149.00 9429162265.00 3271350746.00 PS 40:7; [M-H]-; GPSer(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 28631056.00 579690082.00 4259828305.00 1191534335.00 9935107021.00 7249710293.00 5017649998.00 3026214058.00 320074344.00 7871686322.00 PS 38:5; [M-H]-; GPSer(18:1(11E)/20:4(5E,8E,11E,14E)) 8036476946.00 8610221182.00 6072052255.00 7420998589.00 4749081444.00 723066065.00 7294839943.00 2844719275.00 2326815606.00 1005100885.00 PS 36:2; [M-H]-; GPSer(18:1(11E)/18:1(11E)) 765353587.00 568941468.00 438324311.00 276878706.00 190880521.00 496591145.00 935200834.00 732466972.00 43054075.00 67570256.00 PS 40:5; [M-H]-; GPSer(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) 736528818.00 937175425.00 640033699.00 259349851.00 68569133.00 349636747.00 444906602.00 620873107.00 72470249.00 224566041.00 PS 36:2; [M-H]-; GPSer(18:0/18:2(2E,4E)) 284365015.00 700203583.00 980166987.00 305692803.00 312547394.00 830509634.00 949397298.00 376924315.00 466437731.00 729432225.00 PE 38:6; [M-H]-; GPEtn(18:2(2E,4E)/20:4(5E,8E,11E,14E)) 540943491.00 353428648.00 765551435.00 142771492.00 377432711.00 921446055.00 806229748.00 720479571.00 600201595.00 764065251.00 PE 38:6; [M-H]-; GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1431440468.00 82723601188.00 3933232447.00 9177510571.00 99676645363.00 2783006813.00 3562285779.00 9857847087.00 7965104899.00 9897161916.00 PS 38:3; [M-H]-; GPSer(18:0/20:3(5Z,8Z,11Z)) 361498707.00 304411556.00 749263094.00 54135279.00 340575171.00 899905105.00 470410646.00 3846426.00 866070003.00 975130744.00 PI 40:4; [M-H]-; GPIns(18:0/22:4(7Z,10Z,13Z,16Z)) 3600572962.00 9960344783.00 8875957675.00 3260561556.00 3934432323.00 5798709037.00 1662160915.00 4017877389.00 1843618878.00 8952656003.00 PS 40:4; [M-H]-; GPSer(18:0/22:4(7Z,10Z,13Z,16Z)) 8762694233.00 274407592.00 4381429466.00 4571980749.00 3018741391.00 5739386594.00 6925593283.00 1208657251.00 2779751824.00 1338415069.00 PE 34:1; [M-H]-; GPEtn(16:0/18:1(11E)) 92607699.00 538076.00 81512604.00 4878238.00 61522766.00 64409525.00 9722277.00 3564236.00 67316444.00 21859489.00 PE 40:5; [M-H]-; GPEtn(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) 49702379.00 551670635.00 494739361.00 67101933.00 715146502.00 346993237.00 301334031.00 640898534.00 302818979.00 5278579.00 PE 38:2; [M-H]-; GPEtn(18:1(11E)/20:1(11E)) 573478495.00 291087383.00 451651316.00 751254774.00 742265757.00 943025798.00 315451065.00 572872383.00 772471988.00 515631873.00 PC 38:6; [M-CH3]-; GPCho(18:2(2E,4E)/20:4(5E,8E,11E,14E)) 56726209.00 830405997.00 320803101.00 985408759.00 840316966.00 721742639.00 47395173.00 919540544.00 791473628.00 285542677.00 PI 40:5; [M-H]-; GPIns(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) 94723778.00 757453731.00 152870273.00 489674994.00 713478716.00 21597204.00 10498932.00 977697002.00 50824166.00 772903605.00 PE 40:6; [M-H]-; GPEtn(18:1(11E)/22:5(4Z,7Z,10Z,13Z,16Z)) 7146278.00 36442032.00 67076932.00 82242807.00 9745679.00 7628379.00 50982231.00 98973827.00 7987074.00 5960317.00 PE 35:0; [M-H]-; GPEtn(17:0/18:0) 41587073823.00 58607437759.00 23338933591.00 736666115.00 74569838897.00 34824196553.00 31366668104.00 72157097903.00 309856144.00 84606719312.00 PE 42:6; [M-H]-; GPEtn(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 81459770813.00 95212475388.00 64150717203.00 49662062963.00 1335468751.00 3053416649.00 22627543734.00 65431139705.00 872486139.00 56129712897.00 CL 68:3; [M-2H](2-); CL(18:1/16:0/18:2/16:0) 32917394102.00 14182870391.00 21350807738.00 3204827019.00 35249300545.00 56503542817.00 2540324798.00 51984635833.00 757944.00 45160788443.00 PS 38:4; [M-H]-; GPSer(18:1(11E)/20:3(5Z,8Z,11Z)) 19494576.00 65922145.00 29006231.00 53295438.00 91756734.00 71011363.00 90115542.00 6859881.00 46649989.00 24151052.00 PI 36:2; [M-H]-; GPIns(18:0/18:2(2E,4E)) 66560646827.00 889304688.00 94851748112.00 87406769252.00 45281824205.00 570082518.00 4747734056.00 9222383533.00 45498903174.00 37076161798.00 PS 38:6; [M-H]-; GPSer(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7977479101.00 523482287.00 4281157246.00 9514584756.00 8344961886.00 7943213775.00 7388888251.00 5791230289.00 2472775223.00 5387698235.00 CL 72:6; [M-2H](2-); CL(18:1/18:2/18:1/18:2) 9009876825.00 3999021425.00 6839938761.00 9381813778.00 54299601.00 449117095.00 3308440209.00 1819511032.00 7023504476.00 9626306031.00 CL 68:3; [M-2H](2-); CL(16:0/18:2/18:1/16:0) 24318234035.00 70286487935.00 20131361123.00 14808949842.00 45081566937.00 2340678627.00 31473085246.00 84446894192.00 664827762.00 60270488773.00 CL 70:5; [M-2H](2-); CL(18:2/16:0/18:2/18:1) 2916579244.00 973088231.00 8004289862.00 6874496326.00 92450333036.00 8030926416.00 2035405093.00 7946330215.00 2347065579.00 9157887868.00 CL 74:7; [M-2H](2-); CL(18:1/18:2/18:1/20:3) 1848614034.00 263433539.00 5037551702.00 985898629.00 9565006705.00 5373624444.00 2836295594.00 2770842371.00 9920362904.00 3015531849.00 PE 41:6; [M-H]-; GPEtn(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 156867133.00 64358466.00 9373824369.00 8612509881.00 5571166018.00 25443244.00 7253871332.00 4670823906.00 7351679571.00 2575712662.00 PG 35:0; [M-H]-; GPGro(17:0/18:0) 914238335.00 145463569.00 346698367.00 295999727.00 977467022.00 65522073.00 462767643.00 860494004.00 76289927.00 106712402.00 PE 23:0; [M-H]-; GPEtn(7:0/16:0) 8165248984.00 4707760312.00 8453700239.00 3897034749.00 4915491312.00 3335784919.00 8604986908.00 6556644695.00 5918373079.00 9448179443.00 PE 40:2; [M-H]-; GPEtn(18:0/22:2(13Z,16Z)) 25370967945.00 319681000000.00 476268000000.00 662108000000.00 2129010000000.00 48855665263.00 11404629285.00 487836000000.00 238585000000.00 394701000000.00 PE 32:1; [M-H]-; GPEtn(16:0/16:1(7Z)) 988701577.00 59126052.00 370745838.00 55447504.00 66255526.00 16606283.00 81176852.00 842332588.00 89716428.00 436752325.00 PA 38:4; [M-H]-; GPA(18:0/20:4(5E,8E,11E,14E)) 6175890127.00 526541229.00 482369024.00 369037241.00 442993496.00 120514465.00 9334208904.00 888291027.00 60995997.00 509634095.00 PE 40:4; [M-H]-; GPEtn(20:0/20:4(5E,8E,11E,14E)) 62566225389.00 48934523363.00 54257266961.00 90654352416.00 674776651.00 50006030365.00 36939639416.00 66351079175.00 39960846768.00 504220000000.00 PE 38:2; [M-H]-; GPEtn(18:2(2E,4E)/20:0) 12950608102.00 36186466903.00 44389229628.00 84747984356.00 9411535379.00 38562261242.00 57784383414.00 9297585571.00 4853050666.00 68073568383.00 PE 40:2; [M-H]-; GPEtn(18:1(11E)/22:1(13Z)) 835083892.00 9092976739.00 8769884019.00 2519213838.00 2660726431.00 7146838673.00 962108847.00 441645632.00 299441362.00 6307204365.00 PC 20:3; [M-CH3]-; GPCho(2:0/18:3(6Z,9Z,12Z)) 21221511367.00 66377967287.00 60519734988.00 59553794635.00 49069333946.00 1131211346.00 18063608107.00 85229782566.00 91793366512.00 510907487.00 PE 36:5; [M-H]-; GPEtn(16:0/20:5(5Z,8Z,11Z,14Z,17Z)) 19851788162.00 12454401511.00 6756356987.00 1326460195.00 3622936356.00 27659378785.00 22816406699.00 64199998185.00 37005469442.00 40393630414.00 CL 70:4; [M-2H](2-); CL(18:1/16:0/18:2/18:1) 82056604221.00 88016784387.00 66975918028.00 1882841725.00 3208018159.00 8916224187.00 51010851529.00 13636567879.00 31855292805.00 5771463107.00 PE 21:0; [M-H]-; GPEtn(5:0/16:0) 8161751931.00 7076513305.00 4309820002.00 979686244.00 2945228784.00 1223268708.00 1872340728.00 2244277658.00 3926679159.00 9295508598.00 PE 23:0; [M-H]-; GPEtn(5:0/18:0) 7598952715.00 9687697833.00 402085945.00 33198429392.00 8558494479.00 34602050513.00 90990433485.00 41288634798.00 83613364386.00 54069508596.00 PE 24:0; [M-H]-; GPEtn(6:0/18:0) 898256203.00 8222687248.00 8324539394.00 3658984598.00 5595084726.00 4263733032.00 2171850858.00 5877255646.00 4695078189.00 8680358614.00 PC 40:6; [M-CH3]-; GPCho(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7670506938.00 4648219019.00 6754807666.00 6971999958.00 95935683.00 8393214447.00 474958189.00 5510495134.00 8805470221.00 883757028.00 CL 68:4; [M-2H](2-); CL(16:1/16:0/18:2/18:1) 69039462684.00 72339592404.00 61401092619.00 4450727973.00 23151927102.00 4239807666.00 94068330921.00 66092664574.00 45201340131.00 68403957128.00 PE 40:4; [M-H]-; GPEtn(16:0/24:4(5Z,8Z,11Z,14Z)) 2436716622.00 125255172.00 48021027326.00 6356229792.00 60666486.00 49953183297.00 17663444141.00 17450686917.00 57550306274.00 92747230836.00 CL 68:3; [M-2H](2-); CL(16:0/16:0/18:2/18:1) 16939833393.00 20631980383.00 87232656028.00 70086314751.00 28635783829.00 3129717936.00 20481867657.00 92906290083.00 19109722079.00 15904917976.00 PC 38:6; [M-CH3]-; GPCho(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 2993232878.00 9509593856.00 5818734675.00 1669402755.00 2089295056.00 856529339.00 5539189944.00 7790377316.00 7050106138.00 1323950134.00 PE 38:7; [M-H]-; GPEtn(18:2(2E,4E)/20:5(5Z,8Z,11Z,14Z,17Z)) 9584605847.00 9632026667.00 7100366014.00 9978089424.00 591572273.00 5458388573.00 722790523.00 9136261662.00 195268142.00 3619409801.00 PE 40:7; [M-H]-; GPEtn(18:2(2E,4E)/22:5(4Z,7Z,10Z,13Z,16Z)) 71722047.00 895533219.00 712041802.00 515676806.00 668763583.00 285273475.00 557721327.00 374138522.00 19792657.00 602097134.00 PS 39:4; [M-H]-; GPSer(19:0/20:4(5E,8E,11E,14E)) 104513615.00 2409321378.00 450749905.00 129733298.00 2211116555.00 1529996212.00 2304841559.00 1934196269.00 1570153996.00 717041562.00 PE 42:8; [M-H]-; GPEtn(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 6205769077.00 522081328.00 6549636886.00 6405222147.00 6347018607.00 8794313336.00 8299041919.00 9841462161.00 1404994759.00 5905771585.00 CL 74:6; [M-2H](2-); CL(18:1/18:2/18:1/20:2) 9002578117.00 6267581412.00 3755129713.00 5357079228.00 6451719789.00 2423586329.00 5627696161.00 530057959.00 7126323844.00 9834616454.00 PE 37:4; [M-H]-; GPEtn(17:0/20:4(5E,8E,11E,14E)) 349779032.00 115003809.00 369331008.00 55489119.00 589457951.00 50684026.00 882519498.00 547878416.00 170537022.00 320374351.00 CL 74:7; [M-2H](2-); CL(18:1/18:2/20:2/18:2) 3443574537.00 3043877577.00 8402628794.00 1359975216.00 366258928.00 2902215132.00 7530585007.00 4507421015.00 2933913994.00 5836758404.00 PI 36:4; [M-H]-; GPIns(16:0/20:4(5E,8E,11E,14E)) 340220601.00 354092233.00 54639878.00 351895376.00 278226808.00 601983727.00 52193288.00 36989378.00 68287473.00 481510414.00 PI 40:6; [M-H]-; GPIns(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 901572984.00 879476331.00 416311681.00 373850842.00 5619491.00 796480907.00 232852398.00 912586829.00 107545266.00 969871626.00 PE 30:0; [M-H]-; GPEtn(14:0/16:0) 89527017499.00 82578911189.00 74448918817.00 7092167185.00 712853281.00 97876730316.00 70226076211.00 46704939864.00 65542023687.00 84019709972.00 PE 34:3; [M-H]-; GPEtn(16:0/18:3(6Z,9Z,12Z)) 465306113.00 984292178.00 103842016.00 387430597.00 76435565.00 235715223.00 708360321.00 489424147.00 496957996.00 322302361.00 PS 41:6; [M-H]-; GPSer(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 355417798.00 3535768259.00 375495767.00 1415321145.00 1488591085.00 3838320159.00 135357646.00 488360138.00 9530700563.00 9915817.00 PE 34:2; [M-H]-; GPEtn(16:1(7Z)/18:1(11E)) 39603572.00 26865133.00 1172276.00 3766995.00 84278096.00 5803005.00 75539749.00 57609469.00 10804784.00 87383909.00 PE 38:5; [M-H]-; GPEtn(18:0/20:5(5Z,8Z,11Z,14Z,17Z)) 34047076.00 97565151.00 20183173.00 2226032.00 14396828.00 47924477.00 36083044.00 37014456.00 2452548.00 3962512.00 PS 37:4; [M-H]-; GPSer(17:0/20:4(5E,8E,11E,14E)) 92955240168.00 1370632318.00 19630474004.00 24449514016.00 62343386022.00 760488457.00 42799153822.00 8883227788.00 5386960083.00 56473747689.00 PE 39:4; [M-H]-; GPEtn(19:0/20:4(5E,8E,11E,14E)) 529854608.00 62929603.00 38063414.00 689268319.00 641141003.00 87237219.00 66937925.00 490968757.00 955655077.00 2445096.00 PS 36:1; [M-H]-; GPSer(18:0/18:1(11E)) 601989817.00 997898147.00 641279251.00 23723741.00 691581106.00 84199163.00 810763769.00 443086878.00 595453479.00 725812252.00 PE 38:5; [M-H]-; GPEtn(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) 4736457011.00 8355392306.00 5390436579.00 7981947094.00 349713826.00 5276640308.00 47013611.00 2103949986.00 5189397277.00 50299253.00 PS 38:1; [M-H]-; GPSer(18:0/20:1(11E)) 523670361.00 6124827301.00 5896637603.00 8733168005.00 127092209.00 536944206.00 5796318626.00 7009184782.00 359648102.00 9083614236.00 PE 33:0; [M-H]-; GPEtn(16:0/17:0) 445125000000.00 301630000000.00 550860000000.00 87537744537.00 8747074212.00 93253461117.00 48738012997.00 96141623058.00 746511000000.00 7657869631.00 PS 38:5; [M-H]-; GPSer(18:0/20:5(5Z,8Z,11Z,14Z,17Z)) 6581095131.00 854432808.00 1127664338.00 563841347.00 271483362.00 9124128226.00 6142269276.00 4907354618.00 7714900864.00 20467605.00 CL 74:7; [M-2H](2-); CL(18:1/20:2/18:2/18:2) 7075944647.00 8611858278.00 94860700794.00 89427459165.00 72005320938.00 30265798566.00 461694000000.00 73831424281.00 97641059324.00 69596640176.00 PS 39:6; [M-H]-; GPSer(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 6062980932.00 4948951485.00 5176765743.00 1006555568.00 7897075982.00 1539962782.00 1944577239.00 4919732472.00 3807312498.00 8139716011.00 PE 38:7; [M-H]-; GPEtn(16:1(7Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 404784869.00 897439426.00 22975829.00 220194815.00 866281995.00 974356425.00 705260014.00 241787444.00 4625924.00 847111326.00 PC 36:2; [M-CH3]-; GPCho(18:0/18:2(2E,4E)) 990066477.00 655645485.00 607599139.00 506047254.00 385980122.00 55113782.00 861787159.00 437959976.00 936803135.00 570383299.00 PC 34:0 (internal standard) 8221748469.00 3690292155.00 6690468761.00 4997124181.00 5581873159.00 1991740912.00 7579469397.00 7872339116.00 3452705459.00 8717133695.00 PE 34:0 (internal standard) 80731186.00 29218392.00 4545696.00 10558806.00 63263266.00 8837954.00 9053533.00 40113577.00 9939858.00 25127221.00 PG 34:0 (internal standard) 8384786.00 750761996.00 722609804.00 354133032.00 195609052.00 558224276.00 122429783.00 10159765.00 109987215.00 260572484.00 PS 34:0 (internal standard) 42380389.00 52413573.00 78893837.00 5686724.00 38991498.00 85219847.00 18810727.00 98599394.00 22252897.00 325212.00 CE 17:0; (internal standard) 7772747.00 643127138.00 983239165.00 234140903.00 354095646.00 728356456.00 516991997.00 833031418.00 443462799.00 32172496.00 D31-TAG (internal standard) 8301570000000.00 149085000000.00 4367680000000.00 8874340000000.00 3734440000000.00 453157000000.00 5653360000000.00 1648650000000.00 2934560000000.00 2175840000000.00 d5-DAG (internal standard) 704951000000.00 106222000000.00 6195410132.00 635838000000.00 50807513139.00 883949000000.00 832496000000.00 924496000000.00 860229000000.00 773901000000.00 MG 17:0; (internal standard) 35276821031.00 89878050475.00 8677938156.00 91788907912.00 20411169101.00 2362578134.00 27077837362.00 28346384583.00 85271666433.00 48663891753.00 SM 17:0 (internal standard) 3440804486.00 77277623.00 315921944.00 1774675198.00 2730809338.00 6786871866.00 2652440161.00 560126268.00 5064393658.00 245116059.00 PA 17:0 (internal standard) 5963439896.00 71305149643.00 8876972451.00 30743747125.00 26198450293.00 53998935017.00 87582344822.00 37566818595.00 51449904477.00 96611417707.00 TG 17:0 (internal standard) 5773470000000.00 6144790000000.00 1984140000000.00 2009490000000.00 265090000000.00 1017930000000.00 5442170000000.00 8910310000000.00 671967000000.00 158696000000.00 ChoE 17:0 (internal standard) 2757870000000.00 935098000000.00 9349560000000.00 6505930000000.00 9510970000000.00 5998810000000.00 1121700000000.00 5463360000000.00 3509760000000.00 8671640000000.00 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name PG 36:3; [M-H]-; GPGro(18:1(11E)/18:2(2E,4E)) PI 38:4; [M-H]-; GPIns(18:1(11E)/20:3(5Z,8Z,11Z)) PS 40:6; [M-H]-; GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PS 38:4; [M-H]-; GPSer(18:0/20:4(5E,8E,11E,14E)) PI 38:4; [M-H]-; GPIns(18:0/20:4(5E,8E,11E,14E)) PG 34:1; [M-H]-; GPGro(16:0/18:1(11E)) PE 34:3; [M-H]-; GPEtn(16:1(7Z)/18:2(2E,4E)) PE 37:6; [M-H]-; GPEtn(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PI 38:3; [M-H]-; GPIns(18:0/20:3(5Z,8Z,11Z)) PE 40:7; [M-H]-; GPEtn(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PE 34:2; [M-H]-; GPEtn(16:0/18:2(2E,4E)) PE 36:3; [M-H]-; GPEtn(18:1(11E)/18:2(2E,4E)) PA 34:0; [M-H]-; GPA(17:0/17:0) PE 38:5; [M-H]-; GPEtn(18:1(11E)/20:4(5E,8E,11E,14E)) PE 39:6; [M-H]-; GPEtn(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PE 38:4; [M-H]-; GPEtn(18:1(11E)/20:3(5Z,8Z,11Z)) PC 38:4; [M-CH3]-; GPCho(18:0/20:4(5E,8E,11E,14E)) PG 36:0; [M-H]-; GPGro(17:0/19:0) PE 40:6; [M-H]-; GPEtn(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PE 38:4; [M-H]-; GPEtn(18:0/20:4(5E,8E,11E,14E)) PE 42:7; [M-H]-; GPEtn(20:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PE 36:2; [M-H]-; GPEtn(18:0/18:2(2E,4E)) PE 38:3; [M-H]-; GPEtn(18:0/20:3(5Z,8Z,11Z)) PE 36:0; [M-H]-; GPEtn(17:0/19:0) PS 40:7; [M-H]-; GPSer(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PS 38:5; [M-H]-; GPSer(18:1(11E)/20:4(5E,8E,11E,14E)) PS 36:2; [M-H]-; GPSer(18:1(11E)/18:1(11E)) PS 40:5; [M-H]-; GPSer(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) PS 36:2; [M-H]-; GPSer(18:0/18:2(2E,4E)) PE 38:6; [M-H]-; GPEtn(18:2(2E,4E)/20:4(5E,8E,11E,14E)) PE 38:6; [M-H]-; GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PS 38:3; [M-H]-; GPSer(18:0/20:3(5Z,8Z,11Z)) PI 40:4; [M-H]-; GPIns(18:0/22:4(7Z,10Z,13Z,16Z)) PS 40:4; [M-H]-; GPSer(18:0/22:4(7Z,10Z,13Z,16Z)) PE 34:1; [M-H]-; GPEtn(16:0/18:1(11E)) PE 40:5; [M-H]-; GPEtn(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) PE 38:2; [M-H]-; GPEtn(18:1(11E)/20:1(11E)) PC 38:6; [M-CH3]-; GPCho(18:2(2E,4E)/20:4(5E,8E,11E,14E)) PI 40:5; [M-H]-; GPIns(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) PE 40:6; [M-H]-; GPEtn(18:1(11E)/22:5(4Z,7Z,10Z,13Z,16Z)) PE 35:0; [M-H]-; GPEtn(17:0/18:0) PE 42:6; [M-H]-; GPEtn(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) CL 68:3; [M-2H](2-); CL(18:1/16:0/18:2/16:0) PS 38:4; [M-H]-; GPSer(18:1(11E)/20:3(5Z,8Z,11Z)) PI 36:2; [M-H]-; GPIns(18:0/18:2(2E,4E)) PS 38:6; [M-H]-; GPSer(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) CL 72:6; [M-2H](2-); CL(18:1/18:2/18:1/18:2) CL 68:3; [M-2H](2-); CL(16:0/18:2/18:1/16:0) CL 70:5; [M-2H](2-); CL(18:2/16:0/18:2/18:1) CL 74:7; [M-2H](2-); CL(18:1/18:2/18:1/20:3) PE 41:6; [M-H]-; GPEtn(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PG 35:0; [M-H]-; GPGro(17:0/18:0) PE 23:0; [M-H]-; GPEtn(7:0/16:0) PE 40:2; [M-H]-; GPEtn(18:0/22:2(13Z,16Z)) PE 32:1; [M-H]-; GPEtn(16:0/16:1(7Z)) PA 38:4; [M-H]-; GPA(18:0/20:4(5E,8E,11E,14E)) PE 40:4; [M-H]-; GPEtn(20:0/20:4(5E,8E,11E,14E)) PE 38:2; [M-H]-; GPEtn(18:2(2E,4E)/20:0) PE 40:2; [M-H]-; GPEtn(18:1(11E)/22:1(13Z)) PC 20:3; [M-CH3]-; GPCho(2:0/18:3(6Z,9Z,12Z)) PE 36:5; [M-H]-; GPEtn(16:0/20:5(5Z,8Z,11Z,14Z,17Z)) CL 70:4; [M-2H](2-); CL(18:1/16:0/18:2/18:1) PE 21:0; [M-H]-; GPEtn(5:0/16:0) PE 23:0; [M-H]-; GPEtn(5:0/18:0) PE 24:0; [M-H]-; GPEtn(6:0/18:0) PC 40:6; [M-CH3]-; GPCho(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) CL 68:4; [M-2H](2-); CL(16:1/16:0/18:2/18:1) PE 40:4; [M-H]-; GPEtn(16:0/24:4(5Z,8Z,11Z,14Z)) CL 68:3; [M-2H](2-); CL(16:0/16:0/18:2/18:1) PC 38:6; [M-CH3]-; GPCho(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PE 38:7; [M-H]-; GPEtn(18:2(2E,4E)/20:5(5Z,8Z,11Z,14Z,17Z)) PE 40:7; [M-H]-; GPEtn(18:2(2E,4E)/22:5(4Z,7Z,10Z,13Z,16Z)) PS 39:4; [M-H]-; GPSer(19:0/20:4(5E,8E,11E,14E)) PE 42:8; [M-H]-; GPEtn(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) CL 74:6; [M-2H](2-); CL(18:1/18:2/18:1/20:2) PE 37:4; [M-H]-; GPEtn(17:0/20:4(5E,8E,11E,14E)) CL 74:7; [M-2H](2-); CL(18:1/18:2/20:2/18:2) PI 36:4; [M-H]-; GPIns(16:0/20:4(5E,8E,11E,14E)) PI 40:6; [M-H]-; GPIns(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PE 30:0; [M-H]-; GPEtn(14:0/16:0) PE 34:3; [M-H]-; GPEtn(16:0/18:3(6Z,9Z,12Z)) PS 41:6; [M-H]-; GPSer(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PE 34:2; [M-H]-; GPEtn(16:1(7Z)/18:1(11E)) PE 38:5; [M-H]-; GPEtn(18:0/20:5(5Z,8Z,11Z,14Z,17Z)) PS 37:4; [M-H]-; GPSer(17:0/20:4(5E,8E,11E,14E)) PE 39:4; [M-H]-; GPEtn(19:0/20:4(5E,8E,11E,14E)) PS 36:1; [M-H]-; GPSer(18:0/18:1(11E)) PE 38:5; [M-H]-; GPEtn(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) PS 38:1; [M-H]-; GPSer(18:0/20:1(11E)) PE 33:0; [M-H]-; GPEtn(16:0/17:0) PS 38:5; [M-H]-; GPSer(18:0/20:5(5Z,8Z,11Z,14Z,17Z)) CL 74:7; [M-2H](2-); CL(18:1/20:2/18:2/18:2) PS 39:6; [M-H]-; GPSer(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PE 38:7; [M-H]-; GPEtn(16:1(7Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PC 36:2; [M-CH3]-; GPCho(18:0/18:2(2E,4E)) PC 34:0 (internal standard) PE 34:0 (internal standard) PG 34:0 (internal standard) PS 34:0 (internal standard) CE 17:0; (internal standard) D31-TAG (internal standard) d5-DAG (internal standard) MG 17:0; (internal standard) SM 17:0 (internal standard) PA 17:0 (internal standard) TG 17:0 (internal standard) ChoE 17:0 (internal standard) METABOLITES_END #END