#METABOLOMICS WORKBENCH cwalker_bcm_20200124_130952 DATATRACK_ID:1908 STUDY_ID:ST001313 ANALYSIS_ID:AN002187 PROJECT_ID:PR000892 VERSION 1 CREATED_ON February 2, 2020, 7:24 pm #PROJECT PR:PROJECT_TITLE Lipidomic profiling after early-life exposure to an endocrine disrupting PR:PROJECT_TITLE chemical in serum after Western Diet challenge. PR:PROJECT_TYPE Untargeted MS analysis PR:PROJECT_SUMMARY Lipidomic profiling in serum after early-life exposure to an endocrine PR:PROJECT_SUMMARY disrupting chemical under a Western Diet. 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 serum after early life exposure to an endocrine disruptor ST:STUDY_TITLE and a Western Diet at 240 days postnatal (part-IV) 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 240 days 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) or D09100301 (Research Diets, SU:ANIMAL_FEED 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 - HFB1 Treatment:BPA Day of Serum Harvest Post-Birth=240; BPA_exposure=50 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet for first 180 days post birth then diet high in fat (40% kcal), fructose (20% kcal) and cholesterol (2%) (Western-style diet) for 60 days. SUBJECT_SAMPLE_FACTORS - HFB2 Treatment:BPA Day of Serum Harvest Post-Birth=240; BPA_exposure=50 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet for first 180 days post birth then diet high in fat (40% kcal), fructose (20% kcal) and cholesterol (2%) (Western-style diet) for 60 days. SUBJECT_SAMPLE_FACTORS - HFB3 Treatment:BPA Day of Serum Harvest Post-Birth=240; BPA_exposure=50 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet for first 180 days post birth then diet high in fat (40% kcal), fructose (20% kcal) and cholesterol (2%) (Western-style diet) for 60 days. SUBJECT_SAMPLE_FACTORS - HFB4 Treatment:BPA Day of Serum Harvest Post-Birth=240; BPA_exposure=50 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet for first 180 days post birth then diet high in fat (40% kcal), fructose (20% kcal) and cholesterol (2%) (Western-style diet) for 60 days. SUBJECT_SAMPLE_FACTORS - HFB5 Treatment:BPA Day of Serum Harvest Post-Birth=240; BPA_exposure=50 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet for first 180 days post birth then diet high in fat (40% kcal), fructose (20% kcal) and cholesterol (2%) (Western-style diet) for 60 days. SUBJECT_SAMPLE_FACTORS - HFV1 Treatment:vehicle Day of Serum Harvest Post-Birth=240; BPA_exposure=0 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet for first 180 days post birth then diet high in fat (40% kcal), fructose (20% kcal) and cholesterol (2%) (Western-style diet) for 60 days. SUBJECT_SAMPLE_FACTORS - HFV2 Treatment:vehicle Day of Serum Harvest Post-Birth=240; BPA_exposure=0 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet for first 180 days post birth then diet high in fat (40% kcal), fructose (20% kcal) and cholesterol (2%) (Western-style diet) for 60 days. SUBJECT_SAMPLE_FACTORS - HFV3 Treatment:vehicle Day of Serum Harvest Post-Birth=240; BPA_exposure=0 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet for first 180 days post birth then diet high in fat (40% kcal), fructose (20% kcal) and cholesterol (2%) (Western-style diet) for 60 days. SUBJECT_SAMPLE_FACTORS - HFV4 Treatment:vehicle Day of Serum Harvest Post-Birth=240; BPA_exposure=0 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet for first 180 days post birth then diet high in fat (40% kcal), fructose (20% kcal) and cholesterol (2%) (Western-style diet) for 60 days. SUBJECT_SAMPLE_FACTORS - HFV5 Treatment:vehicle Day of Serum Harvest Post-Birth=240; BPA_exposure=0 ug/kg post natal days 1, 3, and 5; Diet=phytoestrogen-reduced a diet for first 180 days post birth then diet high in fat (40% kcal), fructose (20% kcal) and cholesterol (2%) (Western-style diet) for 60 days. #COLLECTION CO:COLLECTION_SUMMARY Blood was collected via cardiac puncture at the time of tissue harvest. For CO:COLLECTION_SUMMARY separating serum from the blood cells, the samples were allowed to clot at room CO:COLLECTION_SUMMARY temperature for 20-30 minutes, followed by centrifugation for 10 min at 1000 x CO:COLLECTION_SUMMARY g, and storage of the separated serum at -80°C. CO:SAMPLE_TYPE Blood (serum) #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. At day TR:TREATMENT_SUMMARY 180, adult rats in both treatment groups were fed a diet high in fat (40% kcal), TR:TREATMENT_SUMMARY fructose (20% kcal) and cholesterol (2%) (Western-style diet) for 60 days TR:TREATMENT_SUMMARY (D09100301, Research Diets, Inc). Rats were fasted overnight prior to tissue TR:TREATMENT_SUMMARY collection. #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.serum.MS.method.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Shimadzu Nexera-x2 CH:COLUMN_NAME Acquity HSS UPLC T3 column (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. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak intensity MS_METABOLITE_DATA_START Samples HFB1 HFB2 HFB3 HFB4 HFB5 HFV1 HFV2 HFV3 HFV4 HFV5 Factors Treatment:BPA Treatment:BPA Treatment:BPA Treatment:BPA Treatment:BPA Treatment:vehicle Treatment:vehicle Treatment:vehicle Treatment:vehicle Treatment:vehicle PS 38:4; [M-H]-; GPSer(18:0/20:4(5E,8E,11E,14E)) 2606 2677 411 551 326 734 417 1083 110 135 PE 36:0; [M-H]-; GPEtn(17:0/19:0) 10936 10079 12899 10941 11829 10538 10062 8052 9438 8592 PE 40:6; [M-H]-; GPEtn(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 9771 14934 11054 13004 8229 16437 19273 16986 12556 14712 PE 38:6; [M-H]-; GPEtn(18:2(2E,4E)/20:4(5E,8E,11E,14E)) 359549 591606 428839 210578 359634 175190 77153 168329 196110 144314 PS 40:6; [M-H]-; GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 316 455 650 220 178 140 160 141 98 405 PE 25:0; [M-H]-; GPEtn(7:0/18:0) 168 160 113 197 169 169 61 165 343 223 PE 21:0; [M-H]-; GPEtn(5:0/16:0) 139 115 137 77 161 178 161 148 93 184 PG 36:0; [M-H]-; GPGro(17:0/19:0) 16879 16091 22598 13696 17606 24155 17564 20268 21872 23132 PE 40:7; [M-H]-; GPEtn(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 22928 36656 23493 22738 22607 18464 8177 18369 12515 17508 PE 40:4; [M-H]-; GPEtn(20:0/20:4(5E,8E,11E,14E)) 3259 5527 3825 966 2702 1514 789 518 1963 392 CL 70:5; [M-2H](2-); CL(18:1/16:0/18:2/18:2) 56510 55376 64969 44527 63371 41797 34990 34202 44837 31866 PE 23:0; [M-H]-; GPEtn(7:0/16:0) 646 281 262 870 512 559 421 570 367 224 PE 38:6; [M-H]-; GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 358386 602271 432690 224920 357861 184992 79526 174813 197952 157942 CL 70:5; [M-2H](2-); CL(18:1/16:1/18:1/18:2) 78396 55445 71758 20963 51786 18126 16564 12648 27390 12743 PE 40:2; [M-H]-; GPEtn(18:0/22:2(13Z,16Z)) 47 89 97 62 107 93 23 49 26 33 PE 38:5; [M-H]-; GPEtn(18:0/20:5(5Z,8Z,11Z,14Z,17Z)) 473402 663965 586517 312820 466104 313753 165734 288409 279210 264403 PE 38:2; [M-H]-; GPEtn(18:2(2E,4E)/20:0) 4732 5667 4704 4200 5640 2463 1731 3725 3925 2347 PE 33:0; [M-H]-; GPEtn(16:0/17:0) 951 1271 1701 1782 1993 2116 1824 2539 1915 2161 MGDG 34:0; [M-H]-; MGDG(16:0/18:0) 42 3009 117 322 62 155 85 144 182 128 PE 40:2; [M-H]-; GPEtn(18:1(11E)/22:1(13Z)) 443 374 438 207 402 263 146 335 395 403 PE 42:10; [M-H]-; GPEtn(20:4(5E,8E,11E,14E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 2669 3607 4691 884 2560 643 154 910 1536 782 PE 36:0; [M-H]-; GPEtn(16:0/20:0) 131 113 122 101 77 66 53 31 45 32 PE 38:2; [M-H]-; GPEtn(18:1(11E)/20:1(11E)) 4936 5586 5063 3311 5477 2389 1686 3620 4044 2357 PS 38:5; [M-H]-; GPSer(18:1(11E)/20:4(5E,8E,11E,14E)) 312 410 375 312 456 204 100 573 402 205 CL 72:6; [M-2H](2-); CL(18:1/18:2/18:2/18:1) 183 52 48 162 185 21 124 108 217 166 PC 40:6; [M-CH3]-; GPCho(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 2918 3477 1951 1216 1919 965 1506 467 2264 1050 PE 24:0; [M-H]-; GPEtn(6:0/18:0) 1287 1028 564 329 645 625 1039 796 399 1073 PE 23:0; [M-H]-; GPEtn(5:0/18:0) 809 164 106 167 152 316 555 146 165 289 PC 38:6; [M-CH3]-; GPCho(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 153 303 43 104 45 131 123 125 64 65 PE 36:5; [M-H]-; GPEtn(16:0/20:5(5Z,8Z,11Z,14Z,17Z)) 7570 8825 10562 5807 7806 11717 10145 11759 10005 8021 PE 40:7; [M-H]-; GPEtn(20:3(5Z,8Z,11Z)/20:4(5E,8E,11E,14E)) 86446 117932 81698 32776 73892 25629 7143 32232 36458 25620 PE 34:2; [M-H]-; GPEtn(16:1(7Z)/18:1(11E)) 125704 119186 105483 33527 75993 30739 21579 35003 50394 31472 PA 40:7; [M-H]-; GPA(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 2766 2884 2123 1662 1218 1788 3855 1209 900 1799 PA 34:0; [M-H]-; GPA(17:0/17:0) 3752 3046 8971 2076 3361 19039 5771 2089 5039 7213 PI 36:2; [M-H]-; GPIns(18:0/18:2(2E,4E)) 22913 26016 23477 15407 26451 20143 18381 11144 12073 9800 PG 38:6; [M-H]-; GPGro(18:2(2E,4E)/20:4(5E,8E,11E,14E)) 23 96 35 71 43 41 85 39 47 80 CL 74:2; [M-2H](2-); CL(18:0/18:1/18:0/20:1) 22767 27630 21679 11568 20897 12236 13322 7792 12711 8968 PG 33:0; [M-H]-; GPGro(17:0/16:0) 7398 9183 10235 5946 8038 11664 9852 11171 10301 8200 PC 34:2; [M-Ac-H]-; GPCho(16:0/18:2(2E,4E)) 5566 5578 8029 2981 4676 4012 3900 2370 4788 4344 PE 42:6; [M-H]-; GPEtn(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 407 531 354 113 579 712 222 358 233 811 PE 32:1; [M-H]-; GPEtn(16:0/16:1(7Z)) 4655 1714 2509 1626 3076 762 868 1609 1773 856 PE 22:0; [M-H]-; GPEtn(4:0/18:0) 261 40 98 47 337 53 161 123 124 53 PE 38:5; [M-H]-; GPEtn(18:1(11E)/20:4(5E,8E,11E,14E)) 6319 7188 7649 3557 4392 897 2340 3436 2127 3715 PG 38:5; [M-H]-; GPGro(18:1(11E)/20:4(5E,8E,11E,14E)) 125 153 107 41 73 77 287 65 103 38 PC 36:4; [M-Ac-H]-; GPCho(16:0/20:4(5E,8E,11E,14E)) 488672 691865 581696 310079 450298 278908 144610 297741 244957 224054 PG 32:1; [M-H]-; GPGro(16:0/16:1(7Z)) 159 131 155 107 40 264 77 105 34 180 PC 34:3; [M-Ac-H]-; GPCho(16:1(7Z)/18:2(2E,4E)) 13558 8691 10200 4765 6050 3952 4427 2138 2061 2416 PC 38:4; [M-CH3]-; GPCho(18:0/20:4(5E,8E,11E,14E)) 33250 55881 45667 23607 29800 22153 17045 20253 25610 19165 PE 42:3; [M-H]-; GPEtn(18:2(2E,4E)/24:1(15Z)) 379 538 286 436 391 339 246 397 252 559 PE 42:7; [M-H]-; GPEtn(20:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 536 851 413 1247 1035 1441 1316 1395 887 223 PA 34:2; [M-H]-; GPA(16:0/18:2(2E,4E)) 889 1786 813 1170 1136 823 835 264 1313 835 PE 42:2; [M-H]-; GPEtn(18:1(11E)/24:1(15Z)) 720 852 372 395 422 944 1328 347 1164 587 CL 72:7; [M-2H](2-); CL(16:0/20:4/18:1/18:2) 428 900 469 259 196 503 177 215 341 447 PC 35:3; [M-Ac-H]-; GPCho(17:1(9Z)/18:2(2E,4E)) 17544 14017 11313 5764 10008 6232 2976 6769 5840 5981 PC 38:6; [M-CH3]-; GPCho(18:2(2E,4E)/20:4(5E,8E,11E,14E)) 18876 35929 17573 15890 16716 12553 5334 13918 8277 13389 PE 40:6; [M-H]-; GPEtn(18:1(11E)/22:5(4Z,7Z,10Z,13Z,16Z)) 167780 345197 221152 105012 148986 100357 42994 97077 125462 74723 PC 21:0; [M-Ac-H]-; GPCho(5:0/16:0) 2445 1245 934 860 983 740 3682 1192 911 1548 PC 32:1; [M-CH3]-; GPCho(16:0/16:1(7Z)) 100 157 80 12 13 59 30 30 51 198 PG 38:4; [M-H]-; GPGro(18:1(11E)/20:3(5Z,8Z,11Z)) 191 151 484 218 192 337 548 206 306 195 PC 25:0; [M+HCOO]-; GPCho(2:0/23:0) 26194 23359 17542 7936 24223 9784 5066 9516 14710 7228 PG 19:0; [M-H]-; GPGro(2:0/17:0) 248 351 104 169 296 169 160 1131 243 448 PI 38:3; [M-H]-; GPIns(18:0/20:3(5Z,8Z,11Z)) 2737 5660 2980 4724 2925 3377 2773 2266 2088 2164 PG 40:7; [M-H]-; GPGro(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 34 117 36 54 94 353 164 62 138 29 PC 38:0; [M-Ac-H]-; GPCho(16:0/22:0) 308 518 444 529 181 314 130 272 295 103 PI 40:5; [M-H]-; GPIns(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) 19633 26314 13287 9728 17141 13793 5864 17101 9614 8549 PE 42:5; [M-H]-; GPEtn(20:4(5E,8E,11E,14E)/22:1(13Z)) 1221 614 2818 161 911 775 513 1729 1172 1019 CL 74:7; [M-2H](2-); CL(18:2/20:1/20:4/16:0) 453 365 258 198 104 199 213 146 338 245 PE 38:4; [M-H]-; GPEtn(18:0/20:4(5E,8E,11E,14E)) 8827 12458 14124 9502 12093 7165 7058 10016 7255 6848 CL 70:4; [M-2H](2-); CL(16:0/18:1/18:1/18:2) 400 1449 341 187 143 212 399 458 866 562 PE 42:4; [M-H]-; GPEtn(20:4(5E,8E,11E,14E)/22:0) 668 676 382 556 423 503 717 524 438 672 PE 42:7; [M-H]-; GPEtn(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 2408 1994 1025 1158 2059 859 521 2085 993 1463 PC 36:2; [M-Ac-H]-; GPCho(18:0/18:2(2E,4E)) 21149 18243 18159 11449 13968 11054 13140 9112 10912 13316 PC 32:1; [M-CH3]-; GPCho(16:1(7Z)/16:0) 20271 20591 20703 9947 13721 10156 8017 8769 12717 8072 CL 74:7; [M-2H](2-); CL(18:1/18:0/18:2/20:4) 552 90 263 166 499 198 99 221 251 97 plasmenyl-PE 36:5; [M-H]-; PE(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) 3183 1619 4318 1682 3095 2405 1979 1802 1931 1235 PE 36:4; [M-H]-; GPEtn(16:0/20:4(5E,8E,11E,14E)) 145269 232692 177409 86451 125655 65328 41820 66824 67680 63292 PE 40:4; [M-H]-; GPEtn(16:0/24:4(5Z,8Z,11Z,14Z)) 115 86 35 42 11 67 35 54 68 44 PI 38:4; [M-H]-; GPIns(18:0/20:4(5E,8E,11E,14E)) 294557 507474 439975 237025 309494 290135 191604 248632 209453 178370 PE 37:1; [M-H]-; GPEtn(18:1(11E)/19:0) 289 360 776 183 712 347 424 189 312 580 PC 23:0; [M-Ac-H]-; GPCho(5:0/18:0) 2891 1727 1273 1519 1635 2009 1237 1823 1202 1481 PE 30:0; [M-H]-; GPEtn(14:0/16:0) 124 518 595 153 233 193 73 97 200 97 PC 38:2; [M-CH3]-; GPCho(20:1(11E)/18:1(11E)) 1361 2412 1445 1027 736 1134 988 865 744 766 PC 34:2; [M+HCOO]-; GPCho(16:1(7Z)/18:1(11E)) 842 373 473 805 2552 1139 448 390 479 1132 PC 38:4; [M-Ac-H]-; GPCho(18:0/20:4(5E,8E,11E,14E)) 13733 15985 15703 6772 11165 8717 7418 8290 6693 8470 CL 68:3; [M-2H](2-); CL(16:0/16:0/18:1/18:2) 14512 12926 16974 12661 14126 13039 8931 5366 8715 5118 PE 33:2; [M-H]-; GPEtn(15:0/18:2(2E,4E)) 3247 2151 2423 652 3005 714 639 843 624 312 PC 34:1; [M-Ac-H]-; GPCho(16:0/18:1(11E)) 385027 485714 400854 211686 345119 217426 175822 206256 191683 163143 PC 22:0; [M-Ac-H]-; GPCho(6:0/16:0) 657 855 766 499 538 718 218 385 422 282 PG 34:3; [M-H]-; GPGro(16:1(7Z)/18:2(2E,4E)) 101 97 63 100 32 2 1 56 43 45 PE 37:5; [M-H]-; GPEtn(17:1(9Z)/20:4(5E,8E,11E,14E)) 7601 6946 9688 2143 6970 4078 4347 2878 6010 3185 CL 68:1; [M-2H](2-); CL(16:0/16:0/18:0/18:1) 2904 4610 3724 2704 1507 2532 1120 639 1247 2685 PC 39:3; [M-Ac-H]-; GPCho(19:0/20:3(5Z,8Z,11Z)) 596 515 372 487 670 380 254 636 806 717 PC 38:5; [M-CH3]-; GPCho(18:1(11E)/20:4(5E,8E,11E,14E)) 23666 48074 45838 22242 22764 20813 12554 17691 16705 16700 PE 39:4; [M-H]-; GPEtn(19:0/20:4(5E,8E,11E,14E)) 1122 2705 2119 2036 2887 535 658 755 2046 1936 PE 40:5; [M-H]-; GPEtn(20:1(11E)/20:4(5E,8E,11E,14E)) 32785 65246 34374 22680 29137 24461 12550 20970 24973 18760 PE 40:1; [M-H]-; GPEtn(18:0/22:1(13Z)) 356 1237 211 339 372 272 582 217 195 191 plasmenyl-PE 42:6; [M-H]-; PE(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 3895 3806 3839 2027 2741 2020 2744 1439 1825 1341 PE 36:3; [M-H]-; GPEtn(18:1(11E)/18:2(2E,4E)) 7904 10410 9234 6264 7141 4729 5508 6679 4795 2789 plasmenyl-PE 38:6; [M-H]-; PE(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 4103 3238 4675 3680 3768 3929 4627 3503 2260 4252 PS 40:7; [M-H]-; GPSer(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 194 377 89 138 104 57 62 22 40 101 PC 22:0; [M+HCOO]-; GPCho(6:0/16:0) 116 180 200 119 156 57 466 98 90 186 PE 38:5; [M-H]-; GPEtn(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) 510946 683156 611100 285227 493680 288138 146112 276962 277682 233926 PE 40:5; [M-H]-; GPEtn(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) 23780 40396 32960 22403 23864 20268 11989 17233 16093 16008 CL 68:4; [M-2H](2-); CL(16:0/18:2/16:1/18:1) 24590 16517 26834 11265 21533 8138 6172 8635 11618 10179 PC 26:0; [M-CH3]-; GPCho(16:0/10:0) 554 266 368 496 308 230 220 184 303 366 PE 34:3; [M-H]-; GPEtn(16:1(7Z)/18:2(2E,4E)) 60081 41293 46262 11619 36723 11549 7233 7296 17917 6455 PE 36:5; [M-H]-; GPEtn(16:1(7Z)/20:4(5E,8E,11E,14E)) 84555 83717 77056 30407 64957 28465 15595 17458 33246 18575 PE 38:4; [M-H]-; GPEtn(18:1(11E)/20:3(5Z,8Z,11Z)) 18009 28135 25222 15072 18345 15798 12266 13156 13645 12500 PC 27:0; [M+HCOO]-; GPCho(2:0/25:0) 212 160 39 48 58 57 50 140 72 191 PE 35:1; [M-H]-; GPEtn(17:0/18:1(11E)) 1067 963 539 684 1070 734 278 104 660 136 PG 36:2; [M-H]-; GPGro(18:0/18:2(2E,4E)) 4108 2264 4758 1774 4162 4723 2429 1499 3446 1848 PC 38:6; [M+HCOO]-; GPCho(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 14796 21358 14128 4239 11590 5041 1707 6358 5083 4294 PC 40:3; [M-Ac-H]-; GPCho(20:0/20:3(5Z,8Z,11Z)) 908 1618 764 419 394 910 919 504 361 522 CL 72:6; [M-2H](2-); CL(18:1/18:2/18:1/18:2) 11408 7909 8668 4964 4587 7947 9847 2582 5163 8804 PC 42:10; [M-Ac-H]-; GPCho(20:4(5E,8E,11E,14E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 7437 7145 6533 1926 6545 3264 833 3578 4126 1589 CL 72:2; [M-2H](2-); CL(16:0/20:1/18:0/18:1) 536 871 734 515 594 610 696 351 421 660 CL 72:7; [M-2H](2-); CL(16:0/18:1/18:2/20:4) 875 791 614 307 211 415 318 662 1059 577 PC 35:4; [M+HCOO]-; GPCho(15:0/20:4(5E,8E,11E,14E)) 16755 20877 18502 8971 15680 4101 3713 5753 7989 6912 PE 38:7; [M-H]-; GPEtn(16:1(7Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 919 1249 632 176 418 757 556 209 569 191 PC 40:7; [M-CH3]-; GPCho(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 2421 1443 1771 1753 1986 3798 3043 902 1678 1127 PC 36:4; [M-Ac-H]-; GPCho(18:2(2E,4E)/18:2(2E,4E)) 249620 297359 277674 89532 225745 104022 36988 121934 116459 65188 PG 36:2; [M-H]-; GPGro(16:0/20:2(11Z,14Z)) 13119 22480 12714 7712 12383 8317 3423 4835 6709 5388 PE 35:3; [M-H]-; GPEtn(17:1(9Z)/18:2(2E,4E)) 1037 535 668 291 566 375 458 497 528 204 PA 38:4; [M-H]-; GPA(18:0/20:4(5E,8E,11E,14E)) 1923 995 2666 1073 1345 810 1461 1239 1049 1390 PC 30:0; [M-Ac-H]-; GPCho(14:0/16:0) 50410 11908 9691 6196 6047 3789 4306 4129 4131 4979 PC 36:2; [M-CH3]-; GPCho(18:0/18:2(2E,4E)) 57442 67346 56886 37706 48361 44184 37706 28810 40769 29062 PC 36:5; [M-Ac-H]-; GPCho(16:1(7Z)/20:4(5E,8E,11E,14E)) 2495 3306 2274 1868 3045 831 1857 893 739 2116 DGDG 34:1; [M-H]-; DGDG(16:0/18:1(11E)) 62 111 59 147 202 48 112 139 71 165 PE 35:4; [M-H]-; GPEtn(15:0/20:4(5E,8E,11E,14E)) 2673 4368 4159 1295 4242 1391 1179 782 1189 696 PC 34:1; [M+HCOO]-; GPCho(16:0/18:1(11E)) 6901 9068 8699 3907 9569 4260 3135 4831 5051 3449 PG 40:6; [M-H]-; GPGro(18:1(11E)/22:5(4Z,7Z,10Z,13Z,16Z)) 1238 3546 1151 430 837 940 463 1030 564 784 DGDG 36:3; [M-H]-; DGDG(18:1(11E)/18:2(2E,4E)) 170 257 162 138 226 134 104 284 182 82 MGDG 39:6; [M-H]-; MGDG(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 2849 1748 3395 2544 1159 1655 459 2921 1251 1235 PS 40:4; [M-H]-; GPSer(18:0/22:4(7Z,10Z,13Z,16Z)) 212 409 469 183 432 381 349 4827 322 8813 PC 38:6; [M-Ac-H]-; GPCho(18:2(2E,4E)/20:4(5E,8E,11E,14E)) 98830 161803 101431 29209 80281 34356 15074 39250 39639 31083 PE 37:4; [M-H]-; GPEtn(17:0/20:4(5E,8E,11E,14E)) 10186 18197 11525 5728 9711 6008 2990 4289 4112 4468 PC 36:0; [M-Ac-H]-; GPCho(16:0/20:0) 195 332 251 37 173 206 167 76 321 171 PE 44:5; [M-H]-; GPEtn(20:4(5E,8E,11E,14E)/24:1(15Z)) 889 2487 1155 617 1295 455 362 591 1088 750 CL 70:5; [M-2H](2-); CL(18:2/18:0/18:3/16:0) 79510 59445 78190 23626 51889 19529 18979 11724 26730 14757 PC 24:0; [M-Ac-H]-; GPCho(6:0/18:0) 164 174 201 155 120 223 145 184 163 314 PE 36:5; [M-H]-; GPEtn(18:2(2E,4E)/18:3(6Z,9Z,12Z)) 51487 44651 45095 8115 33397 12243 4360 9479 19605 6711 PE 39:3; [M-H]-; GPEtn(19:0/20:3(5Z,8Z,11Z)) 465 568 735 427 354 318 483 530 360 132 PC 38:3; [M-CH3]-; GPCho(18:0/20:3(5Z,8Z,11Z)) 8074 8866 5863 5271 5765 6981 3600 7016 4170 5208 PC 35:2; [M-CH3]-; GPCho(17:0/18:2(2E,4E)) 690 1025 1125 1168 637 670 377 370 783 533 PC 36:4; [M-CH3]-; GPCho(16:0/20:4(5E,8E,11E,14E)) 4326 7398 8303 3605 3681 3549 2848 3152 2136 3935 MGDG 40:6; [M-H]-; MGDG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 130 353 128 54 81 33 125 180 77 41 PC 32:0; [M-Ac-H]-; GPCho(15:0/17:0) 2459 3417 2721 2050 1743 1728 3154 1491 1356 2264 PE 41:4; [M-H]-; GPEtn(19:0/22:4(7Z,10Z,13Z,16Z)) 722 1797 366 182 542 668 289 1124 211 531 PC 40:3; [M-Ac-H]-; GPCho(18:1(11E)/22:2(13Z,16Z)) 463 760 791 262 201 265 703 291 266 375 PC 38:1; [M-CH3]-; GPCho(18:0/20:1(11E)) 1090 1650 1296 1290 962 881 786 843 440 752 PE 35:2; [M-H]-; GPEtn(17:0/18:2(2E,4E)) 7002 7079 5803 3212 7159 6372 2259 4831 1564 3353 PC 35:1; [M-Ac-H]-; GPCho(17:0/18:1(11E)) 7131 7981 8123 3864 5574 4845 4227 3514 4967 4872 PI 40:6; [M-H]-; GPIns(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 3908 5007 2597 2072 6579 2664 3226 5924 3469 3476 PE 41:6; [M-H]-; GPEtn(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 21610 23301 22724 10816 18907 8938 7659 9019 938 5918 PE 42:1; [M-H]-; GPEtn(18:1(11E)/24:0) 480 599 127 321 564 166 309 91 214 75 CL 70:4; [M-2H](2-); CL(16:0/18:1/18:2/18:1) 834 387 579 425 275 888 501 922 1397 644 PC 40:8; [M-Ac-H]-; GPCho(18:2(2E,4E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 17360 28466 17450 12896 16866 16901 9357 9035 16379 7170 PC 33:1; [M-Ac-H]-; GPCho(16:0/17:1(9Z)) 13559 17144 15192 5738 14048 5597 4879 6268 7876 5412 plasmenyl-PE 40:6; [M-H]-; PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 29680 21944 29182 8561 18230 22356 11215 15071 17394 13790 PC 34:0; [M+HCOO]-; GPCho(16:0/18:0) 4054 2735 3934 2661 3787 4892 2028 4009 3490 3934 PC 33:0; [M-Ac-H]-; GPCho(17:0/16:0) 10819 10949 13650 9356 10373 12029 10333 11144 9693 14539 PG 34:2; [M-H]-; GPGro(16:1(7Z)/18:1(11E)) 256 378 742 72 104 109 95 190 85 237 PC 40:7; [M-Ac-H]-; GPCho(20:3(5Z,8Z,11Z)/20:4(5E,8E,11E,14E)) 67955 113161 80381 42758 61006 44866 19188 46234 19406 25612 PC 37:4; [M-Ac-H]-; GPCho(17:0/20:4(5E,8E,11E,14E)) 21692 39680 34261 15791 23216 13445 7257 13162 14367 9789 PC 23:0; [M-Ac-H]-; GPCho(7:0/16:0) 326 446 121 133 242 208 270 142 221 203 PA 38:2; [M-H]-; GPA(18:1(11E)/20:1(11E)) 9926 8111 6889 3347 4784 4403 5997 3983 3067 7045 PS 36:4; [M-H]-; GPSer(16:0/20:4(5E,8E,11E,14E)) 103 132 106 156 13 62 45 126 63 46 PC 34:3; [M-Ac-H]-; GPCho(16:0/18:3(6Z,9Z,12Z)) 1333 598 1286 1218 788 1117 209 613 171 339 PC 38:3; [M-Ac-H]-; GPCho(18:2(2E,4E)/20:1(11E)) 7564 9330 8629 8600 7680 6904 6516 9320 6679 6426 CL 78:11; [M-2H](2-); CL(16:0/18:0/22:5/22:6) 618 430 1112 311 183 413 281 393 249 541 PC 42:6; [M-Ac-H]-; GPCho(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 621 215 471 448 603 173 377 361 174 608 PE 33:1; [M-H]-; GPEtn(16:0/17:1(9Z)) 230 418 913 440 444 385 302 289 133 200 CL 66:3; [M-2H](2-); CL(16:0/16:0/16:1/18:2) 594 315 265 297 241 213 426 198 133 180 PC 36:2; [M+HCOO]-; GPCho(16:0/20:2(11Z,14Z)) 213 653 230 76 278 437 160 76 46 367 PC 40:1; [M-Ac-H]-; GPCho(16:0/24:1(15Z)) 291 632 593 289 460 438 328 230 219 167 PE 40:3; [M-H]-; GPEtn(18:2(2E,4E)/22:1(13Z)) 234 777 652 1890 703 1036 442 386 317 210 CL 72:2; [M-2H](2-); CL(18:1/18:0/20:1/16:0) 2357 2663 1528 1446 3254 2828 3160 1142 2150 525 PE 35:0; [M-H]-; GPEtn(17:0/18:0) 481 609 1059 677 679 345 777 181 393 489 PC 38:4; [M+HCOO]-; GPCho(16:0/22:4(7Z,10Z,13Z,16Z)) 95 112 130 52 101 316 56 116 42 58 PE 37:2; [M-H]-; GPEtn(18:2(2E,4E)/19:0) 1323 1798 910 225 500 680 437 1041 250 496 plasmenyl-PE 40:4; [M-H]-; PE(P-20:0/20:4(5E,8E,11E,14E)) 8735 9551 7096 5530 7050 7223 5522 4012 5302 5813 PC 35:2; [M-Ac-H]-; GPCho(17:0/18:2(2E,4E)) 13117 11583 9621 4187 7788 3704 3501 3074 6660 2938 PE 34:1; [M-H]-; GPEtn(16:0/18:1(11E)) 85121 74546 74853 22786 58688 32345 32318 24318 30080 33432 plasmenyl-PE 38:4; [M-H]-; PE(P-18:0/20:4(5E,8E,11E,14E)) 2477 2959 1803 1128 870 1196 366 1574 1845 905 PA 34:0; [M-H]-; GPA(16:0/18:0) 203 350 464 169 521 330 35 169 188 170 PC 36:3; [M-CH3]-; GPCho(16:0/20:3(5Z,8Z,11Z)) 58087 82013 68340 45265 47509 41269 39270 44246 34471 36261 PE 34:2; [M-H]-; GPEtn(16:0/18:2(2E,4E)) 181102 195669 168739 82928 140566 87146 61950 68281 101338 72936 PC 38:7; [M-Ac-H]-; GPCho(18:3(6Z,9Z,12Z)/20:4(5E,8E,11E,14E)) 22846 27165 18428 6821 18427 8237 7517 6906 6555 7304 CL 78:12; [M-2H](2-); CL(18:0/20:4/18:2/22:6) 22883 25064 19192 3508 16225 3925 1044 2266 5072 1793 CL 72:8; [M-2H](2-); CL(18:2/18:2/18:2/18:2) 263 185 156 251 178 94 162 157 109 165 PE 40:4; [M-H]-; GPEtn(18:0/22:4(7Z,10Z,13Z,16Z)) 36656 62485 44531 21054 29463 22562 15916 19998 25847 18549 PC 30:0; [M+HCOO]-; GPCho(14:0/16:0) 299502 283920 313960 160259 281366 219624 153085 302439 312793 201895 PC 32:0; [M+HCOO]-; GPCho(16:0/16:0) 3241 3396 2512 1361 4717 2232 1676 1948 3069 1800 PE 36:2; [M-H]-; GPEtn(18:0/18:2(2E,4E)) 233098 193867 200170 133829 187775 151360 162111 100881 166484 126556 PC 40:2; [M-Ac-H]-; GPCho(18:1(11E)/22:1(13Z)) 3678 907 470 510 593 828 595 477 652 277 PC 40:6; [M+HCOO]-; GPCho(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1940 3962 3222 1334 2088 1260 704 1337 1358 737 PC 30:1; [M-Ac-H]-; GPCho(14:0/16:1(7Z)) 2599 1786 1624 557 1234 1098 581 959 1327 862 PC 37:3; [M-Ac-H]-; GPCho(17:0/20:3(5Z,8Z,11Z)) 6305 12594 7697 3654 6966 3434 2877 4187 5161 3162 PC 37:1; [M-Ac-H]-; GPCho(18:1(11E)/19:0) 516 1850 667 272 602 885 535 440 361 441 CL 78:11; [M-2H](2-); CL(18:0/18:1/20:4/22:6) 257 1385 205 327 207 208 409 183 613 1217 PC 28:2; [M+HCOO]-; GPCho(2:0/26:2(5E,9Z)) 314 483 238 367 308 469 299 238 197 245 PA 36:4; [M-H]-; GPA(16:0/20:4(5E,8E,11E,14E)) 1762 1236 888 946 1102 1051 562 1119 350 1126 PG 34:0; [M-H]-; GPGro(17:0/17:0) 1464573 1700329 1772872 1373548 1540554 1943758 1533052 1915963 1877171 1801026 PC 40:6; [M-Ac-H]-; GPCho(20:2(11Z,14Z)/20:4(5E,8E,11E,14E)) 46805 89755 45400 19746 36253 20405 12230 20958 22674 16346 PC 34:2; [M-Ac-H]-; GPCho(16:1(7Z)/18:1(11E)) 26859 30202 25839 20180 24905 23133 19510 16331 18595 17745 PC 36:3; [M-CH3]-; GPCho(18:2(2E,4E)/18:1(11E)) 790 560 580 504 671 293 278 257 93 437 CL 72:3; [M-2H](2-); CL(18:1/16:0/18:1/20:1) 51 98 134 21 15 96 34 108 144 80 PC 32:3; [M-Ac-H]-; GPCho(14:1(9Z)/18:2(2E,4E)) 459 326 265 316 701 341 257 374 154 369 PE 44:4; [M-H]-; GPEtn(20:4(5E,8E,11E,14E)/24:0) 45 236 309 151 190 120 152 349 373 136 CL 68:2; [M-2H](2-); CL(16:0/16:0/18:1/18:1) 20489 16035 19131 8545 14724 7926 2948 6311 3251 10891 PC 34:3; [M-CH3]-; GPCho(16:1(7Z)/18:2(2E,4E)) 12566 5041 9102 4814 7946 4839 2977 2081 3577 3286 PC 36:4; [M+HCOO]-; GPCho(18:2(2E,4E)/18:2(2E,4E)) 43056 56669 48755 27341 39541 26256 15554 30632 24201 19420 PC 36:1; [M-CH3]-; GPCho(18:0/18:1(11E)) 9130 9592 6220 5912 6407 9057 6161 5894 7319 5594 PE 38:1; [M-H]-; GPEtn(18:0/20:1(11E)) 81 43 94 37 108 51 30 52 42 39 PC 38:2; [M-Ac-H]-; GPCho(18:2(2E,4E)/20:0) 75650 134701 135461 48160 85380 60360 59361 46158 54053 43544 CL 72:5; [M-2H](2-); CL(18:0/18:2/18:1/18:2) 1999 2977 1765 739 2305 1041 1047 1467 1637 1357 PC 38:6; [M+HCOO]-; GPCho(18:2(2E,4E)/20:4(5E,8E,11E,14E)) 18443 34570 24593 15826 19503 15864 6550 15883 9818 12284 PC 23:1; [M-Ac-H]-; GPCho(5:0/18:1(11E)) 2692 2681 2156 1880 2660 1173 2375 1901 1167 630 PG 38:3; [M-H]-; GPGro(18:1(11E)/20:2(11Z,14Z)) 998 539 978 363 454 188 282 312 408 126 PG 38:5; [M-H]-; GPGro(18:2(2E,4E)/20:3(5Z,8Z,11Z)) 210 248 221 155 119 226 364 51 299 98 PC 20:0; [M-Ac-H]-; GPCho(4:0/16:0) 572 333 487 341 201 226 526 541 391 299 CL 68:2; [M-2H](2-); CL(18:1/16:0/18:1/16:0) 26134 23848 23567 10732 13603 11454 4919 15354 7723 18042 PC 34:0 (internal standard) 117064 120133 132199 89531 99203 125395 73324 100016 113408 104954 PE 34:0 (internal standard) 949366 939269 993014 633575 803536 860805 565854 672554 876741 747916 PG 34:0 (internal standard) 1404773 1479536 1612508 1042058 1419264 1464629 1073084 1555279 1668868 1311933 PI 37:4 (internal standard) 315 479 215 154 679 313 210 132 111 58 PS 34:0 (internal standard) 90400 184036 123103 86293 82725 64543 37320 58022 54384 61437 CE 17:0; (internal standard) 95865 98460 104269 101688 75049 117555 124171 104274 102357 115173 lysoPC 17:0; (internal standard) 29907 50143 34000 26982 30402 54667 39456 54913 32663 26747 MG 17:0; (internal standard) 6377 3944 3297 6445 3370 6343 6531 4526 5488 2882 SM 17:0 (internal standard) 2102 2121 1955 879 1867 1092 1228 713 1101 1707 PA 17:0 (internal standard) 3556 962 1327 745 2419 833 2013 1434 1278 669 TG 17:0 (internal standard) 132 235 372 53 201 170 94 75 166 61 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name PS 38:4; [M-H]-; GPSer(18:0/20:4(5E,8E,11E,14E)) PE 36:0; [M-H]-; GPEtn(17:0/19:0) PE 40:6; [M-H]-; GPEtn(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PE 38:6; [M-H]-; GPEtn(18:2(2E,4E)/20:4(5E,8E,11E,14E)) PS 40:6; [M-H]-; GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PE 25:0; [M-H]-; GPEtn(7:0/18:0) PE 21:0; [M-H]-; GPEtn(5:0/16:0) PG 36:0; [M-H]-; GPGro(17:0/19:0) PE 40:7; [M-H]-; GPEtn(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PE 40:4; [M-H]-; GPEtn(20:0/20:4(5E,8E,11E,14E)) CL 70:5; [M-2H](2-); CL(18:1/16:0/18:2/18:2) PE 23:0; [M-H]-; GPEtn(7:0/16:0) PE 38:6; [M-H]-; GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) CL 70:5; [M-2H](2-); CL(18:1/16:1/18:1/18:2) PE 40:2; [M-H]-; GPEtn(18:0/22:2(13Z,16Z)) PE 38:5; [M-H]-; GPEtn(18:0/20:5(5Z,8Z,11Z,14Z,17Z)) PE 38:2; [M-H]-; GPEtn(18:2(2E,4E)/20:0) PE 33:0; [M-H]-; GPEtn(16:0/17:0) MGDG 34:0; [M-H]-; MGDG(16:0/18:0) PE 40:2; [M-H]-; GPEtn(18:1(11E)/22:1(13Z)) PE 42:10; [M-H]-; GPEtn(20:4(5E,8E,11E,14E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PE 36:0; [M-H]-; GPEtn(16:0/20:0) PE 38:2; [M-H]-; GPEtn(18:1(11E)/20:1(11E)) PS 38:5; [M-H]-; GPSer(18:1(11E)/20:4(5E,8E,11E,14E)) CL 72:6; [M-2H](2-); CL(18:1/18:2/18:2/18:1) PC 40:6; [M-CH3]-; GPCho(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PE 24:0; [M-H]-; GPEtn(6:0/18:0) PE 23:0; [M-H]-; GPEtn(5:0/18:0) PC 38:6; [M-CH3]-; GPCho(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PE 36:5; [M-H]-; GPEtn(16:0/20:5(5Z,8Z,11Z,14Z,17Z)) PE 40:7; [M-H]-; GPEtn(20:3(5Z,8Z,11Z)/20:4(5E,8E,11E,14E)) PE 34:2; [M-H]-; GPEtn(16:1(7Z)/18:1(11E)) PA 40:7; [M-H]-; GPA(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PA 34:0; [M-H]-; GPA(17:0/17:0) PI 36:2; [M-H]-; GPIns(18:0/18:2(2E,4E)) PG 38:6; [M-H]-; GPGro(18:2(2E,4E)/20:4(5E,8E,11E,14E)) CL 74:2; [M-2H](2-); CL(18:0/18:1/18:0/20:1) PG 33:0; [M-H]-; GPGro(17:0/16:0) PC 34:2; [M-Ac-H]-; GPCho(16:0/18:2(2E,4E)) PE 42:6; [M-H]-; GPEtn(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PE 32:1; [M-H]-; GPEtn(16:0/16:1(7Z)) PE 22:0; [M-H]-; GPEtn(4:0/18:0) PE 38:5; [M-H]-; GPEtn(18:1(11E)/20:4(5E,8E,11E,14E)) PG 38:5; [M-H]-; GPGro(18:1(11E)/20:4(5E,8E,11E,14E)) PC 36:4; [M-Ac-H]-; GPCho(16:0/20:4(5E,8E,11E,14E)) PG 32:1; [M-H]-; GPGro(16:0/16:1(7Z)) PC 34:3; [M-Ac-H]-; GPCho(16:1(7Z)/18:2(2E,4E)) PC 38:4; [M-CH3]-; GPCho(18:0/20:4(5E,8E,11E,14E)) PE 42:3; [M-H]-; GPEtn(18:2(2E,4E)/24:1(15Z)) PE 42:7; [M-H]-; GPEtn(20:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PA 34:2; [M-H]-; GPA(16:0/18:2(2E,4E)) PE 42:2; [M-H]-; GPEtn(18:1(11E)/24:1(15Z)) CL 72:7; [M-2H](2-); CL(16:0/20:4/18:1/18:2) PC 35:3; [M-Ac-H]-; GPCho(17:1(9Z)/18:2(2E,4E)) PC 38:6; [M-CH3]-; GPCho(18:2(2E,4E)/20:4(5E,8E,11E,14E)) PE 40:6; [M-H]-; GPEtn(18:1(11E)/22:5(4Z,7Z,10Z,13Z,16Z)) PC 21:0; [M-Ac-H]-; GPCho(5:0/16:0) PC 32:1; [M-CH3]-; GPCho(16:0/16:1(7Z)) PG 38:4; [M-H]-; GPGro(18:1(11E)/20:3(5Z,8Z,11Z)) PC 25:0; [M+HCOO]-; GPCho(2:0/23:0) PG 19:0; [M-H]-; GPGro(2:0/17:0) PI 38:3; [M-H]-; GPIns(18:0/20:3(5Z,8Z,11Z)) PG 40:7; [M-H]-; GPGro(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PC 38:0; [M-Ac-H]-; GPCho(16:0/22:0) PI 40:5; [M-H]-; GPIns(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) PE 42:5; [M-H]-; GPEtn(20:4(5E,8E,11E,14E)/22:1(13Z)) CL 74:7; [M-2H](2-); CL(18:2/20:1/20:4/16:0) PE 38:4; [M-H]-; GPEtn(18:0/20:4(5E,8E,11E,14E)) CL 70:4; [M-2H](2-); CL(16:0/18:1/18:1/18:2) PE 42:4; [M-H]-; GPEtn(20:4(5E,8E,11E,14E)/22:0) PE 42:7; [M-H]-; GPEtn(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PC 36:2; [M-Ac-H]-; GPCho(18:0/18:2(2E,4E)) PC 32:1; [M-CH3]-; GPCho(16:1(7Z)/16:0) CL 74:7; [M-2H](2-); CL(18:1/18:0/18:2/20:4) plasmenyl-PE 36:5; [M-H]-; PE(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) PE 36:4; [M-H]-; GPEtn(16:0/20:4(5E,8E,11E,14E)) PE 40:4; [M-H]-; GPEtn(16:0/24:4(5Z,8Z,11Z,14Z)) PI 38:4; [M-H]-; GPIns(18:0/20:4(5E,8E,11E,14E)) PE 37:1; [M-H]-; GPEtn(18:1(11E)/19:0) PC 23:0; [M-Ac-H]-; GPCho(5:0/18:0) PE 30:0; [M-H]-; GPEtn(14:0/16:0) PC 38:2; [M-CH3]-; GPCho(20:1(11E)/18:1(11E)) PC 34:2; [M+HCOO]-; GPCho(16:1(7Z)/18:1(11E)) PC 38:4; [M-Ac-H]-; GPCho(18:0/20:4(5E,8E,11E,14E)) CL 68:3; [M-2H](2-); CL(16:0/16:0/18:1/18:2) PE 33:2; [M-H]-; GPEtn(15:0/18:2(2E,4E)) PC 34:1; [M-Ac-H]-; GPCho(16:0/18:1(11E)) PC 22:0; [M-Ac-H]-; GPCho(6:0/16:0) PG 34:3; [M-H]-; GPGro(16:1(7Z)/18:2(2E,4E)) PE 37:5; [M-H]-; GPEtn(17:1(9Z)/20:4(5E,8E,11E,14E)) CL 68:1; [M-2H](2-); CL(16:0/16:0/18:0/18:1) PC 39:3; [M-Ac-H]-; GPCho(19:0/20:3(5Z,8Z,11Z)) PC 38:5; [M-CH3]-; GPCho(18:1(11E)/20:4(5E,8E,11E,14E)) PE 39:4; [M-H]-; GPEtn(19:0/20:4(5E,8E,11E,14E)) PE 40:5; [M-H]-; GPEtn(20:1(11E)/20:4(5E,8E,11E,14E)) PE 40:1; [M-H]-; GPEtn(18:0/22:1(13Z)) plasmenyl-PE 42:6; [M-H]-; PE(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PE 36:3; [M-H]-; GPEtn(18:1(11E)/18:2(2E,4E)) plasmenyl-PE 38:6; [M-H]-; PE(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PS 40:7; [M-H]-; GPSer(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PC 22:0; [M+HCOO]-; GPCho(6:0/16:0) PE 38:5; [M-H]-; GPEtn(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) PE 40:5; [M-H]-; GPEtn(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) CL 68:4; [M-2H](2-); CL(16:0/18:2/16:1/18:1) PC 26:0; [M-CH3]-; GPCho(16:0/10:0) PE 34:3; [M-H]-; GPEtn(16:1(7Z)/18:2(2E,4E)) PE 36:5; [M-H]-; GPEtn(16:1(7Z)/20:4(5E,8E,11E,14E)) PE 38:4; [M-H]-; GPEtn(18:1(11E)/20:3(5Z,8Z,11Z)) PC 27:0; [M+HCOO]-; GPCho(2:0/25:0) PE 35:1; [M-H]-; GPEtn(17:0/18:1(11E)) PG 36:2; [M-H]-; GPGro(18:0/18:2(2E,4E)) PC 38:6; [M+HCOO]-; GPCho(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PC 40:3; [M-Ac-H]-; GPCho(20:0/20:3(5Z,8Z,11Z)) CL 72:6; [M-2H](2-); CL(18:1/18:2/18:1/18:2) PC 42:10; [M-Ac-H]-; GPCho(20:4(5E,8E,11E,14E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) CL 72:2; [M-2H](2-); CL(16:0/20:1/18:0/18:1) CL 72:7; [M-2H](2-); CL(16:0/18:1/18:2/20:4) PC 35:4; [M+HCOO]-; GPCho(15:0/20:4(5E,8E,11E,14E)) PE 38:7; [M-H]-; GPEtn(16:1(7Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PC 40:7; [M-CH3]-; GPCho(18:1(11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PC 36:4; [M-Ac-H]-; GPCho(18:2(2E,4E)/18:2(2E,4E)) PG 36:2; [M-H]-; GPGro(16:0/20:2(11Z,14Z)) PE 35:3; [M-H]-; GPEtn(17:1(9Z)/18:2(2E,4E)) PA 38:4; [M-H]-; GPA(18:0/20:4(5E,8E,11E,14E)) PC 30:0; [M-Ac-H]-; GPCho(14:0/16:0) PC 36:2; [M-CH3]-; GPCho(18:0/18:2(2E,4E)) PC 36:5; [M-Ac-H]-; GPCho(16:1(7Z)/20:4(5E,8E,11E,14E)) DGDG 34:1; [M-H]-; DGDG(16:0/18:1(11E)) PE 35:4; [M-H]-; GPEtn(15:0/20:4(5E,8E,11E,14E)) PC 34:1; [M+HCOO]-; GPCho(16:0/18:1(11E)) PG 40:6; [M-H]-; GPGro(18:1(11E)/22:5(4Z,7Z,10Z,13Z,16Z)) DGDG 36:3; [M-H]-; DGDG(18:1(11E)/18:2(2E,4E)) MGDG 39:6; [M-H]-; MGDG(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PS 40:4; [M-H]-; GPSer(18:0/22:4(7Z,10Z,13Z,16Z)) PC 38:6; [M-Ac-H]-; GPCho(18:2(2E,4E)/20:4(5E,8E,11E,14E)) PE 37:4; [M-H]-; GPEtn(17:0/20:4(5E,8E,11E,14E)) PC 36:0; [M-Ac-H]-; GPCho(16:0/20:0) PE 44:5; [M-H]-; GPEtn(20:4(5E,8E,11E,14E)/24:1(15Z)) CL 70:5; [M-2H](2-); CL(18:2/18:0/18:3/16:0) PC 24:0; [M-Ac-H]-; GPCho(6:0/18:0) PE 36:5; [M-H]-; GPEtn(18:2(2E,4E)/18:3(6Z,9Z,12Z)) PE 39:3; [M-H]-; GPEtn(19:0/20:3(5Z,8Z,11Z)) PC 38:3; [M-CH3]-; GPCho(18:0/20:3(5Z,8Z,11Z)) PC 35:2; [M-CH3]-; GPCho(17:0/18:2(2E,4E)) PC 36:4; [M-CH3]-; GPCho(16:0/20:4(5E,8E,11E,14E)) MGDG 40:6; [M-H]-; MGDG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PC 32:0; [M-Ac-H]-; GPCho(15:0/17:0) PE 41:4; [M-H]-; GPEtn(19:0/22:4(7Z,10Z,13Z,16Z)) PC 40:3; [M-Ac-H]-; GPCho(18:1(11E)/22:2(13Z,16Z)) PC 38:1; [M-CH3]-; GPCho(18:0/20:1(11E)) PE 35:2; [M-H]-; GPEtn(17:0/18:2(2E,4E)) PC 35:1; [M-Ac-H]-; GPCho(17:0/18:1(11E)) PI 40:6; [M-H]-; GPIns(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PE 41:6; [M-H]-; GPEtn(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PE 42:1; [M-H]-; GPEtn(18:1(11E)/24:0) CL 70:4; [M-2H](2-); CL(16:0/18:1/18:2/18:1) PC 40:8; [M-Ac-H]-; GPCho(18:2(2E,4E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PC 33:1; [M-Ac-H]-; GPCho(16:0/17:1(9Z)) plasmenyl-PE 40:6; [M-H]-; PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PC 34:0; [M+HCOO]-; GPCho(16:0/18:0) PC 33:0; [M-Ac-H]-; GPCho(17:0/16:0) PG 34:2; [M-H]-; GPGro(16:1(7Z)/18:1(11E)) PC 40:7; [M-Ac-H]-; GPCho(20:3(5Z,8Z,11Z)/20:4(5E,8E,11E,14E)) PC 37:4; [M-Ac-H]-; GPCho(17:0/20:4(5E,8E,11E,14E)) PC 23:0; [M-Ac-H]-; GPCho(7:0/16:0) PA 38:2; [M-H]-; GPA(18:1(11E)/20:1(11E)) PS 36:4; [M-H]-; GPSer(16:0/20:4(5E,8E,11E,14E)) PC 34:3; [M-Ac-H]-; GPCho(16:0/18:3(6Z,9Z,12Z)) PC 38:3; [M-Ac-H]-; GPCho(18:2(2E,4E)/20:1(11E)) CL 78:11; [M-2H](2-); CL(16:0/18:0/22:5/22:6) PC 42:6; [M-Ac-H]-; GPCho(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PE 33:1; [M-H]-; GPEtn(16:0/17:1(9Z)) CL 66:3; [M-2H](2-); CL(16:0/16:0/16:1/18:2) PC 36:2; [M+HCOO]-; GPCho(16:0/20:2(11Z,14Z)) PC 40:1; [M-Ac-H]-; GPCho(16:0/24:1(15Z)) PE 40:3; [M-H]-; GPEtn(18:2(2E,4E)/22:1(13Z)) CL 72:2; [M-2H](2-); CL(18:1/18:0/20:1/16:0) PE 35:0; [M-H]-; GPEtn(17:0/18:0) PC 38:4; [M+HCOO]-; GPCho(16:0/22:4(7Z,10Z,13Z,16Z)) PE 37:2; [M-H]-; GPEtn(18:2(2E,4E)/19:0) plasmenyl-PE 40:4; [M-H]-; PE(P-20:0/20:4(5E,8E,11E,14E)) PC 35:2; [M-Ac-H]-; GPCho(17:0/18:2(2E,4E)) PE 34:1; [M-H]-; GPEtn(16:0/18:1(11E)) plasmenyl-PE 38:4; [M-H]-; PE(P-18:0/20:4(5E,8E,11E,14E)) PA 34:0; [M-H]-; GPA(16:0/18:0) PC 36:3; [M-CH3]-; GPCho(16:0/20:3(5Z,8Z,11Z)) PE 34:2; [M-H]-; GPEtn(16:0/18:2(2E,4E)) PC 38:7; [M-Ac-H]-; GPCho(18:3(6Z,9Z,12Z)/20:4(5E,8E,11E,14E)) CL 78:12; [M-2H](2-); CL(18:0/20:4/18:2/22:6) CL 72:8; [M-2H](2-); CL(18:2/18:2/18:2/18:2) PE 40:4; [M-H]-; GPEtn(18:0/22:4(7Z,10Z,13Z,16Z)) PC 30:0; [M+HCOO]-; GPCho(14:0/16:0) PC 32:0; [M+HCOO]-; GPCho(16:0/16:0) PE 36:2; [M-H]-; GPEtn(18:0/18:2(2E,4E)) PC 40:2; [M-Ac-H]-; GPCho(18:1(11E)/22:1(13Z)) PC 40:6; [M+HCOO]-; GPCho(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) PC 30:1; [M-Ac-H]-; GPCho(14:0/16:1(7Z)) PC 37:3; [M-Ac-H]-; GPCho(17:0/20:3(5Z,8Z,11Z)) PC 37:1; [M-Ac-H]-; GPCho(18:1(11E)/19:0) CL 78:11; [M-2H](2-); CL(18:0/18:1/20:4/22:6) PC 28:2; [M+HCOO]-; GPCho(2:0/26:2(5E,9Z)) PA 36:4; [M-H]-; GPA(16:0/20:4(5E,8E,11E,14E)) PG 34:0; [M-H]-; GPGro(17:0/17:0) PC 40:6; [M-Ac-H]-; GPCho(20:2(11Z,14Z)/20:4(5E,8E,11E,14E)) PC 34:2; [M-Ac-H]-; GPCho(16:1(7Z)/18:1(11E)) PC 36:3; [M-CH3]-; GPCho(18:2(2E,4E)/18:1(11E)) CL 72:3; [M-2H](2-); CL(18:1/16:0/18:1/20:1) PC 32:3; [M-Ac-H]-; GPCho(14:1(9Z)/18:2(2E,4E)) PE 44:4; [M-H]-; GPEtn(20:4(5E,8E,11E,14E)/24:0) CL 68:2; [M-2H](2-); CL(16:0/16:0/18:1/18:1) PC 34:3; [M-CH3]-; GPCho(16:1(7Z)/18:2(2E,4E)) PC 36:4; [M+HCOO]-; GPCho(18:2(2E,4E)/18:2(2E,4E)) PC 36:1; [M-CH3]-; GPCho(18:0/18:1(11E)) PE 38:1; [M-H]-; GPEtn(18:0/20:1(11E)) PC 38:2; [M-Ac-H]-; GPCho(18:2(2E,4E)/20:0) CL 72:5; [M-2H](2-); CL(18:0/18:2/18:1/18:2) PC 38:6; [M+HCOO]-; GPCho(18:2(2E,4E)/20:4(5E,8E,11E,14E)) PC 23:1; [M-Ac-H]-; GPCho(5:0/18:1(11E)) PG 38:3; [M-H]-; GPGro(18:1(11E)/20:2(11Z,14Z)) PG 38:5; [M-H]-; GPGro(18:2(2E,4E)/20:3(5Z,8Z,11Z)) PC 20:0; [M-Ac-H]-; GPCho(4:0/16:0) CL 68:2; [M-2H](2-); CL(18:1/16:0/18:1/16:0) PC 34:0 (internal standard) PE 34:0 (internal standard) PG 34:0 (internal standard) PI 37:4 (internal standard) PS 34:0 (internal standard) CE 17:0; (internal standard) lysoPC 17:0; (internal standard) MG 17:0; (internal standard) SM 17:0 (internal standard) PA 17:0 (internal standard) TG 17:0 (internal standard) METABOLITES_END #END