#METABOLOMICS WORKBENCH efahy_20230425_000088 DATATRACK_ID:3985 STUDY_ID:ST002670 ANALYSIS_ID:AN004342 PROJECT_ID:PR001020 VERSION 1 CREATED_ON April 25, 2023, 7:56 am #PROJECT PR:PROJECT_TITLE Molecular Transducer of Physical Activity Consortium PR:PROJECT_SUMMARY MoTrPAC is a national research consortium designed to discover and perform PR:PROJECT_SUMMARY preliminary characterization of the range of molecular transducers (the PR:PROJECT_SUMMARY "molecular map") that underlie the effects of physical activity in humans. The PR:PROJECT_SUMMARY program's goal is to study the molecular changes that occur during and after PR:PROJECT_SUMMARY exercise and ultimately to advance the understanding of how physical activity PR:PROJECT_SUMMARY improves and preserves health. Preclinical and clinical studies will examine the PR:PROJECT_SUMMARY systemic effects of endurance and resistance exercise across a range of ages and PR:PROJECT_SUMMARY fitness levels by molecular probing of multiple tissues before and after acute PR:PROJECT_SUMMARY and chronic exercise. This program is the largest targeted NIH investment of PR:PROJECT_SUMMARY funds into the mechanisms of how physical activity improves health and prevents PR:PROJECT_SUMMARY disease. The MoTrPAC program is supported by the NIH Common Fund and is managed PR:PROJECT_SUMMARY by a trans-agency working group representing multiple NIH institutes and PR:PROJECT_SUMMARY centers, led by the NIH Office of Strategic Coordination, National Institute of PR:PROJECT_SUMMARY Arthritis and Musculoskeletal and Skin Diseases, National Institute of Diabetes PR:PROJECT_SUMMARY and Digestive and Kidney Diseases, National Institute on Aging, and National PR:PROJECT_SUMMARY Institute of Biomedical Imaging and Bioengineering. MoTrPAC Steering Committee: PR:PROJECT_SUMMARY Wendy Kohrt, Chair, Russ Tracy, Co-Chair; NIH Program Manager, Concepcion PR:PROJECT_SUMMARY Nierras. Euan Ashley and Matthew Wheeler are the PIs for the Motrpac PR:PROJECT_SUMMARY Bioinformatics / Data Coordination Center. PR:INSTITUTE MoTrPAC PR:LAST_NAME Ashley PR:FIRST_NAME Euan A. PR:ADDRESS 300 Pasteur Dr Rm A265. MC 5319. Stanford CA 94305. USA PR:EMAIL euan@stanford.edu PR:PHONE (650) 498-4900 #STUDY ST:STUDY_TITLE MoTrPAC: Endurance exercise training study in young adult rats, Rat Lung Powder ST:STUDY_TITLE - Untargeted Lipidomics, Reversed-Phase Negative ST:STUDY_SUMMARY The goal of the endurance exercise training study in young adult rats (internal ST:STUDY_SUMMARY code: PASS1B-06) was to perform exercise training studies in adult (6 month) ST:STUDY_SUMMARY F344 rats, and from these rats collect as many tissues as feasible in order to ST:STUDY_SUMMARY provide high quality samples for detailed analysis by chemical analysis sites. ST:STUDY_SUMMARY Tissues were collected from 10-12 rats sedentary control rats concurrent with ST:STUDY_SUMMARY the collection of the 8-week training groups. The 8-week training group and ST:STUDY_SUMMARY controls were from the same cohort and same age at euthanasia (either 8). For ST:STUDY_SUMMARY the older age group, an additional set of controls (n=5-6) were collected with ST:STUDY_SUMMARY the 1-2 week training group. Rats were either sedentary or underwent an exercise ST:STUDY_SUMMARY training program. Rats were exercised on the rodent treadmill 5 days per week ST:STUDY_SUMMARY using a progressive training protocol designed to exercise the rats at ST:STUDY_SUMMARY approximately 70% of VO2max as outlined in the Table on the next page. Training ST:STUDY_SUMMARY was performed no earlier than 10:00 am and no later than 5:00 pm over 5 ST:STUDY_SUMMARY consecutive days per week. Training was initiated with the treadmill set at 70% ST:STUDY_SUMMARY of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of ST:STUDY_SUMMARY exercise was increased by one minute each day until day 31 of training (start of ST:STUDY_SUMMARY week 7), when a duration of 50 min was reached. Speed and grade of each training ST:STUDY_SUMMARY session increased in larger increments due to treadmill parameters. The highest ST:STUDY_SUMMARY intensity and duration of training began on day 31. This intensity was ST:STUDY_SUMMARY maintained for the final 10 days of the protocol to ensure steady state had been ST:STUDY_SUMMARY achieved. If any rats were unable to perform at least 4 days of training per ST:STUDY_SUMMARY week they were removed from the study and euthanized. It is important to note ST:STUDY_SUMMARY that the starting treadmill speed varied depending on the sex and age of the ST:STUDY_SUMMARY rat. The initial and maximum speeds were based on VO2max measurements obtained ST:STUDY_SUMMARY during the pre-training testing of the compliant rats. Rats assigned to the ST:STUDY_SUMMARY control group followed a schedule similar to the training group. They were ST:STUDY_SUMMARY placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The ST:STUDY_SUMMARY treadmill was set at 0 m/min at an incline that corresponded to the incline ST:STUDY_SUMMARY being used by the training group. ST:INSTITUTE Georgia Institute of Technology ST:DEPARTMENT Department of Chemistry and Biochemistry ST:LABORATORY Systems Mass Spectrometry Core (SyMSC) ST:LAST_NAME Facundo ST:FIRST_NAME Fernandez ST:ADDRESS 901 Atlantic Dr NW, Atlanta, GA 30332-0400 ST:EMAIL facundo.fernandez@chemistry.gatech.edu ST:PHONE (404) 385-4432 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - QC01 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC01.raw SUBJECT_SAMPLE_FACTORS - SampleBlank01 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank01.raw SUBJECT_SAMPLE_FACTORS - SampleBlank02 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank02.raw SUBJECT_SAMPLE_FACTORS - SampleBlank03 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank03.raw SUBJECT_SAMPLE_FACTORS - SED_Reference_Lung 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raw_file=90239016607.raw SUBJECT_SAMPLE_FACTORS - QC07 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC07.raw SUBJECT_SAMPLE_FACTORS - QC08 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC08.raw SUBJECT_SAMPLE_FACTORS - SED_Reference_Lung02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=SED_Reference_Lung02.raw SUBJECT_SAMPLE_FACTORS - IPE_Reference_Lung02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=IPE_Reference_Lung02.raw SUBJECT_SAMPLE_FACTORS - SampleBlank04 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank04.raw SUBJECT_SAMPLE_FACTORS - SampleBlank05 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank05.raw SUBJECT_SAMPLE_FACTORS - SampleBlank06 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank06.raw SUBJECT_SAMPLE_FACTORS - QC09 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC09.raw #COLLECTION CO:SAMPLE_TYPE Lung #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY IPA extraction with three cycles of freeze/thaw(with sonication) #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY global lipid separation CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Vanquish horizon LC CH:COLUMN_NAME Thermo Accucore C30 (100 x 2.1mm,2.6um) CH:SOLVENT_A 40% water/60% acetonitrile; 10 mM ammonium formate; 0.1% formic acid CH:SOLVENT_B 10% acetonitrile/90% isopropanol; 10 mM ammonium formate; 0.1% formic acid CH:FLOW_GRADIENT t=0 min: 80%/20% (%A/%B) @ 0.4 ml/min | t=1 min: 40%/60% (%A/%B) @ 0.4 ml/min | CH:FLOW_GRADIENT t=5 min: 30%/70% (%A/%B) @ 0.4 ml/min | t=8 min: 10%/90% (%A/%B) @ 0.4 ml/min | CH:FLOW_GRADIENT t=8.2 min: 0%/100% (%A/%B) @ 0.4 ml/min | t=10.5 min: 0%/100% (%A/%B) @ 0.4 CH:FLOW_GRADIENT ml/min | t=10.7 min: 80%/20% (%A/%B) @ 0.4 ml/min | t=12 min: 80%/20% (%A/%B) @ CH:FLOW_GRADIENT 0.4 ml/min CH:FLOW_RATE 0.4 ml/min CH:COLUMN_TEMPERATURE 50C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_TYPE Orbitrap MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:MS_TYPE 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105448.2856 106167.7573 191365.1784 207840.7119 200163.9367 198268.3483 204454.8654 202108.8585 198915.1842 201461.048 195884.0464 149.1684968 153.9125001 149.5225008 140.7289224 131.7531686 133.8964515 PG(38:5)>PG(18:1_20:4)_feature1 181151.1097 38514.97978 34526.42736 98648.51883 49593.49829 39135.48926 36482.11478 54370.20597 35865.56914 39121.94404 48079.46119 52087.54933 42237.27513 64327.85627 47290.52749 34001.81625 31626.43641 30012.14238 28667.91624 50502.38584 35874.05311 39462.60288 40363.05607 49290.18669 39253.06531 51522.50503 31714.34689 40069.4768 41929.80327 49902.39936 34643.80512 113756.1322 79545.62633 43202.26738 35143.25951 45718.46843 44670.73209 47320.53312 32709.11919 36469.93105 97950.03349 53721.07131 29642.63718 45882.38259 38958.15425 32937.84004 35666.79237 53204.38235 31598.1864 51897.13757 43804.20185 42281.14901 66728.14235 29817.53054 43200.50145 41306.82993 41195.12966 42976.73122 44640.80529 40226.62168 41757.41955 45374.69334 40393.54488 148.1498701 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668462.2199 641005.9391 658949.1965 636324.0388 684504.5548 670099.8375 184.0398624 178.5197207 181.522502 176.3742196 173.741808 166.432789 PE(34:0)>PE(16:0_18:0)_feature1 104156.0896 89656.06588 70231.8003 89281.80228 83364.41948 77215.73984 65587.699 86025.52289 74819.65984 84625.50115 73551.1821 84154.42809 76178.02556 94567.34567 94671.00841 75007.36326 70168.03448 46618.26215 68916.35819 84712.90864 76966.4484 80022.42302 83397.54567 80359.37921 76590.25585 90956.24943 64705.44688 91195.83651 94062.07812 91533.56718 74859.36743 100950.5902 70708.40141 81663.10979 76753.81456 88322.51664 83385.9945 77275.12286 65660.6805 75378.52154 75330.74702 94298.79847 59116.49516 73937.91489 76256.38471 69038.124 70732.00786 86901.62883 62385.79334 93806.23006 72497.48577 73936.7712 56202.05534 53318.7165 77677.89786 79542.39293 90235.60113 80127.02826 84934.00131 75272.27968 80910.55487 82742.2429 81700.78556 194.773696 195.3106616 196.7998882 180.2509519 175.2031364 179.1284335 PE(32:1)>PE(16:0_16:1)_feature1 71504.83453 63471.84186 69019.35024 65833.77361 68523.11426 69199.35918 46838.4511 57890.11723 58759.68749 52141.20501 84050.04586 63469.4768 86321.72181 102479.242 69082.36355 87192.71043 70829.68966 71923.99217 63069.06927 80759.80697 88486.26401 76944.35767 45952.64 79966.07197 83373.96835 45246.46585 51120.47808 71148.17171 75760.71004 79368.39524 47541.45813 57884.62765 64663.65675 71179.07323 61888.50196 45200.80337 49558.4391 55271.70871 59480.53699 41047.01416 85427.55648 71546.0359 59841.27708 68290.62253 50437.61928 42807.36807 52489.72472 60115.57523 34034.41568 56402.89711 46724.43947 47064.59674 48020.5122 54045.77113 59929.13673 63459.37241 64655.24169 59243.77945 53929.03579 76375.82457 59407.27699 60434.40535 60127.28597 169.0634104 164.1857092 166.305108 156.2056046 156.3907585 155.6281332 PC(O-38:5)>PC(O-18:1/20:4)_M+H2CO2_feature1 197458.7681 183635.8161 122279.4574 159347.6738 173201.1446 125052.1385 120185.5451 169438.3803 135009.5812 148617.4966 196660.5049 185805.5196 176842.2712 225696.3544 183313.5602 151701.8815 146926.6921 169289.236 129032.5928 200592.4711 149158.6089 152027.0537 158525.6453 157753.6194 146181.5717 192631.7182 130985.0174 160057.6356 165557.0539 191443.0495 129432.8695 183710.0649 150432.9976 142497.7279 132637.2871 151093.2444 154289.7406 157670.7987 111415.5831 130895.6637 154978.6378 178479.6822 106216.2368 178602.9066 159703.0761 125330.5829 132225.0266 180877.1144 120452.6289 179482.2464 130610.7825 115973.7078 100740.3003 93533.4378 156090.8278 165145.1621 157086.3716 157362.4635 150463.3569 152856.6609 154972.402 157885.6292 165092.4725 165.6347434 159.3134953 169.0234218 138.0048719 128.9473206 163.1113722 PC(O-36:5)>PC(O-16:1/20:4)_M+H2CO2_feature5 479842.4512 390017.1298 282385.3647 339142.4676 378070.1531 327937.9806 265604.1368 371587.1341 298197.2132 349585.5859 291537.5039 368426.3633 333822.8278 393458.9456 367945.8607 263380.8733 264578.2249 305157.3882 251103.67 417417.6361 334923.2264 342396.9368 341217.8046 342141.9175 335143.3139 442992.5811 298916.5749 372473.4104 366365.9124 408456.2086 339023.4221 420643.7386 320677.3677 330644.4239 299670.6236 340853.5841 353478.5763 373690.0391 265723.8503 305551.7941 357405.5876 409016.1212 266101.521 336102.8776 302856.332 275957.792 294095.0121 411133.4595 259485.2131 424925.6234 290665.1218 290077.5223 271206.3154 266580.3584 338561.1057 344869.6307 336921.118 334495.6229 327528.9511 339158.3169 331988.2288 334842.0134 349508.4184 167.9934148 157.9935454 166.9989616 148.8222867 146.3947477 148.0056486 PC(O-36:4)>PC(O-16:0/20:4) M+ H2CO2_feature4 350769.9358 269575.9551 215949.0635 250258.5138 293818.9909 231557.8962 211010.6853 328452.4395 243102.8018 260335.9904 378638.2657 350348.6544 349535.1623 423760.533 304414.7448 289311.3591 275401.3902 320954.055 228298.3931 357920.7873 249086.6763 260093.7247 269423.3224 279933.4351 267541.0217 304817.2419 228521.096 288230.7203 300100.212 345144.5836 222172.1207 279337.1695 257456.8072 263785.4099 212641.1013 252152.9713 239211.3765 271206.1886 190198.3792 203529.3531 267379.3696 304136.4585 188975.1294 333121.6406 246287.1595 222591.8484 230874.6911 287493.673 188402.4634 297879.0417 186708.3394 169978.5409 152734.5168 143153.857 281198.8017 279593.2849 275421.7638 276249.0637 260984.0307 259509.8852 268609.0005 283837.311 287689.9574 164.8057534 160.0201866 171.6718948 140.4934077 143.6718901 166.0565444 PC(O-34:1)>PC(O-18:1/16:0)_and_PC(O-34:1)>PC(O-16:0/18:1) _M+H2CO2_feature4 37984.10475 36419.90656 27643.43511 37386.02043 33924.8532 33480.12797 23058.8842 30151.94099 22108.35143 26116.78916 19781.64268 21108.90776 24113.36832 28561.00871 33974.12471 21646.883 22820.94122 21983.96973 17728.98662 39409.22453 29788.20991 32317.86184 26927.68511 27763.45618 27129.88831 29734.39996 22318.64329 28985.56052 26823.68218 37122.40753 23372.17794 38843.35857 25035.72361 25201.96008 25480.82717 29141.24856 28908.52051 27630.29458 22252.35372 25367.76718 25880.12318 27604.01699 16373.61946 21853.51613 25138.82838 19672.84635 22271.41428 28275.42415 20294.39617 34710.42906 38339.46306 36084.97748 25653.23803 25161.79624 27797.94267 26802.84498 27273.50167 26437.83821 26333.60788 27384.74221 26709.9329 25992.89663 28524.79873 163.085294 240.5853438 172.6064686 132.3230154 236.6000422 197.6342122 PC(O-34:1)>PC(O-18:1/16:0)_M+H2CO2_feature2 400973.0325 390588.3201 272247.4113 335633.0196 384415.6228 292001.0617 253000.9962 301500.5632 254752.1236 278030.5262 318693.5791 327344.0266 302904.8192 375696.8424 372114.8851 264560.3251 273250.677 286511.6622 243164.2164 402129.1574 288354.9539 330256.4552 290589.2492 303725.849 281577.9447 404655.81 254559.9082 348974.846 348177.3738 383499.517 274259.8367 380335.9698 305398.66 282304.4681 271309.3525 314882.1147 320321.962 319857.8348 243267.4925 276674.0268 298526.878 394442.3598 222809.046 315321.3649 341774.8551 263999.822 275353.9461 374784.3665 254710.7661 373109.9677 285532.1387 282861.2737 227511.0521 230350.74 318115.5936 313829.8366 306765.8686 308142.7128 332422.3832 305660.1285 314152.3083 315269.1955 313579.9675 200.0038354 199.3921469 207.2473986 188.1967 190.0600002 194.4351946 PC(O-32:1)>PC(O-16:0/16:1)_M+H2CO2_feature2 741020.1392 755603.6224 567995.8205 708703.6966 718526.1476 639396.628 504078.5041 615947.5625 485498.286 537133.4126 437894.9943 551081.6637 581570.162 655350.4876 686978.7443 536289.5668 496869.0521 534702.2187 439928.452 762059.7349 660071.0348 691069.6156 585265.3077 640041.4237 613054.7978 651827.4101 530672.1039 644040.3303 629070.3318 754773.697 542665.4211 735216 524877.8917 557487.2107 561975.4848 625640.5869 628540.5992 634388.5828 495055.6575 523932.0628 570890.7471 675696.5211 434218.318 518607.5768 557955.1284 460884.6187 502486.2191 607886.6809 333596.1598 666930.78 604637.0315 534483.5301 446768.8286 438877.5128 596207.9366 625228.103 583830.5113 601263.6761 577213.1348 554635.3697 583707.4915 648482.2672 594772.2869 179.2805264 262.6161338 253.6062196 165.5694679 258.6710082 231.2263491 PC(O-32:0)>PC(O-16:0/16:0)_M+H2CO2_feature1 437710.1684 391757.4276 289225.4611 344922.93 408955.4802 323629.1307 290303.1912 355461.5573 302127.8599 324823.5127 315416.3183 347266.3773 343959.5463 412114.5523 389310.7304 313040.6998 284021.3274 302364.978 263148.0143 418026.8927 309426.786 364004.0914 305010.2426 359232.6712 324143.8601 422182.2528 288813.1824 368935.062 374542.4029 423598.4399 301099.5538 388526.2277 342702.777 332830.9952 307870.9842 326848.8645 328001.2685 346995.9402 256207.0881 293132.4036 309101.7799 410289.5374 246820.2228 311348.8219 338431.8697 265093.7185 292900.1276 359212.6898 241627.5801 382312.7999 303403.5042 317342.7294 245177.4776 250030.3478 325773.8366 330937.1234 343506.1596 331427.0711 334965.7881 322480.5136 334974.9546 336767.8323 328072.388 163.0230052 163.6614329 169.1528932 169.5365497 162.5306 204.9864851 PC(42:10)>PC(20:4_22:6) _M+H2CO2_feature1 43989.85997 30122.14143 24228.04601 30351.34096 34449.65803 24566.13248 26148.10011 38531.83932 27153.94171 31814.45071 51676.91094 40237.8455 38446.0041 67150.91432 47377.7965 31405.54895 30577.29446 42839.75449 33188.22852 46742.93527 35875.55761 38421.6371 31557.03586 37134.74876 40801.84339 55183.8375 37198.14094 43918.17071 41846.97207 49383.84097 29739.6911 36137.26226 31157.704 34067.44862 31636.82141 35001.55573 30871.86537 38666.0836 24775.66301 28671.03568 35244.07659 37154.844 24278.55622 38794.74751 36880.99469 25899.48048 33029.23401 39342.22493 28896.75847 38789.15327 24423.56616 22684.96107 16423.6941 17922.74031 36557.87703 34528.59302 36965.45204 36330.75261 33825.93776 36241.26819 35486.21314 37044.6841 35402.83437 127.9534856 122.6502253 119.2509164 113.2512835 112.7478262 114.2646633 PC(42:1)>PC(18:1_24:0)_M+H2CO2_feature2 29993.22879 29588.40581 21315.31895 24864.01417 26150.1967 23239.33318 15145.69005 24417.28544 17970.60144 18914.91605 22196.61669 24042.3657 24118.26407 26885.74791 26793.86112 20898.70686 19095.71462 22935.79352 15006.63833 34355.12988 21810.72041 25129.12376 19536.27426 22159.88706 21640.23643 28906.71126 25458.95948 28178.83048 26059.3758 32403.89706 16787.03945 23548.73622 17577.80563 18143.75437 17711.47014 21308.6 18544.82504 19868.97382 15753.05632 16677.95343 21332.50286 29481.96922 14217.6991 19341.35877 20856.96557 20179.19827 19183.87915 22442.35284 17892.64782 29121.69336 19729.66558 16114.49195 16231.88849 13505.02408 22708.65253 23858.87668 25497.24164 23326.4107 22888.8908 21460.55677 21834.56353 23200.82056 26022.03175 151.5933108 162.0570933 146.3017804 128.308635 145.2568313 125.0733626 PC(40:8)>PC(20:4_20:4) _M+H2CO2_feature1 123540.6914 93819.88978 75377.08312 90337.98562 106183.6219 76706.57881 69450.36 108124.5724 80841.30879 86894.37654 106021.3903 85231.492 86438.5976 141795.3878 104807.5806 67659.00137 70474.5025 98908.91245 70121.41919 112093.7016 93472.43622 95717.85736 81851.99965 92590.51318 100720.2548 116695.3137 72529.21152 87170.72053 87118.74789 105507.8398 82071.32957 99560.75196 77218.4037 94089.24554 75355.77809 88863.70856 81327.88987 97205.57449 64598.01012 77982.43479 75813.70713 83028.99266 55117.27259 87279.5951 79914.48412 61436.09252 72711.2944 94352.80293 67409.23847 92127.21365 80045.117 75607.04213 60278.05598 58273.54585 84122.27662 90937.45148 86234.0127 89027.55104 86050.962 85501.50648 85033.03592 88205.59481 88325.4217 141.4403101 151.9947418 147.2493687 130.4476532 139.9399704 143.3342082 PC(40:5)>PC(18:0_22:5)_M+H2CO2_feature3 200607.5 162097.8386 122944.029 171275.1225 150822.9841 128717.7177 107713.1687 157590.2441 129254.5975 175199.9023 134966.4254 149830.8606 153796.7225 189014.4237 172092.9071 130555.7607 117596.3015 133765.78 114498.232 186460.1401 151208.1062 152949.1038 169006.4224 158906.3956 155842.2164 175272.5998 127617.8478 166984.1096 163211.2842 180380.5774 134945.3602 169005.5478 144714.4513 132962.6831 134479.8116 158017.7075 153152.9509 138794.9224 117562.5023 125381.1935 150196.9783 164175.6755 109629.3238 137509.6911 129950.9059 97396.68984 127094.523 160074.7417 106602.6477 162060.5822 128013.2212 137173.7431 128334.4597 135812.6263 148602.4737 151276.6504 146019.5603 134344.0356 145853.1042 149345.8122 145440.051 147583.7115 148211.6532 209.7046324 213.5616009 200.8969928 191.2437232 188.4279638 183.3724794 PC(40:4)>PC(18:0_22:4)_M+H2CO2_feature2 276230.5508 233891.5201 167742.8416 251797.626 207572.7923 172897.0026 140168.4684 225113.7278 180092.8691 236006.4402 185155.3414 205070.4492 173610.2156 242998.7968 231983.0015 152315.9004 148773.9132 181605.0684 154393.3785 238865.9645 189958.6854 177546.2174 202768.3016 211207.7795 208616.8708 265652.0148 187487.6176 201670.2848 196984.1141 247602.3502 196430.1992 252878.8555 207675.9739 192847.5101 186131.8184 241563.6859 195369.3742 239166.8685 163605.699 197853.6755 233690.0547 222906.4941 163396.8013 201293.5374 191323.3591 167387.121 199726.1898 269672.5056 175340.6853 263198.7714 168815.8091 158499.4065 172285.5392 164125.5288 199653.2367 212675.0466 202894.1635 206187.7761 199836.6665 199583.5161 198526.4649 207909.1653 208806.201 159.7872374 159.2166194 158.7077871 144.4860903 141.3389032 146.5171828 PC(40:2)>PC(18:1_22:1)_M+H2CO2_feature1 37123.29485 36830.97685 28979.59909 33634.31125 35760.41526 29694.39576 21451.79391 24747.28327 23479.76927 22813.63271 27390.67114 30377.90383 31546.50903 34253.72295 35295.22125 25178.7853 22633.28678 28264.2443 19241.96545 42889.50852 26768.49572 30937.81928 25535.57332 28922.90869 28441.20804 34217.22973 27524.76151 27248.45045 30297.25173 36976.29656 17910.0238 33216.4928 26022.52824 20678.63897 23672.0903 30353.75785 30573.71515 29121.00432 20962.22493 24305.01486 30155.65313 31702.87321 13742.38636 26558.71167 29925.61283 23783.40084 26710.10656 34382.08868 22929.0848 31686.60102 29449.1084 23142.2395 22943.08901 17012.43818 29408.2371 25920.45856 22844.80096 24769.17858 30581.99894 26338.69603 27947.05914 28568.01873 23778.67369 177.1752509 172.2275099 170.7718185 143.7917628 172.9171657 215.4993315 PC(40:1)>PC(18:1_22:0) _M+H2CO2_feature1 60107.05447 54386.46927 44249.98085 50334.0556 57519.51381 48555.26584 34439.40579 50114.68636 37933.62489 45441.99997 42088.58861 43153.08886 45871.40427 52875.47558 53662.70165 44541.23755 39561.52454 44864.96347 30926.16982 59253.32213 47455.90598 51528.8233 44650.56905 44707.55771 47757.39573 57604.3005 44327.64008 48231.35097 53102.89387 57553.56629 38828.70637 52136.88586 39609.71763 39319.30749 38339.686 40945.46107 42514.38391 45711.50375 37441.22699 39705.64288 44866.20448 52968.8081 33801.9443 41301.8997 44116.51594 36113.90865 43693.58367 50294.7882 36552.78192 55192.8572 42739.52436 44469.69312 37717.0037 38156.94258 50252.49045 46421.22495 51095.78244 45780.92023 39247.21915 41605.11728 46938.22469 49742.70253 51677.67087 162.5872817 190.3945138 173.5856843 146.1417907 167.7629144 168.9528409 PC(38:6)>PC(18:2_20:4)_M+H2CO2_feature1 336740.1725 301347.2181 224341.5869 273545.9069 309057.0457 249824.2566 182495.9533 263535.6689 211321.0576 243510.1829 265003.2951 257064.593 278683.6676 370174.5605 290523.4832 240257.1014 220867.7736 269352.3496 195133.3293 335928.4346 250868.9209 297288.2466 248643.4928 253034.1761 275038.776 322218.2385 203546.3397 276238.4752 266353.0254 319597.1213 221491.7788 277961.4614 214795.074 238769.254 190829.5023 237437.8955 228767.7475 227352.5356 181603.7387 187327.7114 246068.717 257151.0712 177818.0965 234941.5817 227890.3111 176414.7242 206741.1925 261845.1376 187293.301 276970.3107 231280.0377 232612.0783 187688.6997 190973.8516 248582.6268 249344.5907 251186.6289 250992.2875 251110.274 249871.9159 244922.2032 253100.3186 249634.5487 150.7953781 156.7773781 153.9421794 138.9643228 140.8793817 130.5398339 PC(38:6)>PC(16:0_22:6)_and_PC(18:0_20:6)_M+H2CO2_feature2 615256.6363 419228.3565 296557.8914 407240.5882 455778.5357 349151.5783 362481.6616 554805.8574 396980.794 515396.8246 533467.7575 575694.6526 506137.8184 727917.4861 572883.4526 376231.7177 377188.2563 554576.3219 449477.9116 524416.6682 463563.7079 469603.8597 482933.0112 537999.215 499470.3827 641449.6894 451467.297 520137.402 581684.997 636958.234 434581.7987 488713.2031 438362.6115 452690.4793 409768.6867 452906.7473 470102.5671 565942.1389 352794.3931 400001.4948 498718.2701 585883.1109 353243.596 468276.0071 452155.2322 357909.6626 447932.4491 539640.2249 353999.6366 527682.1177 355962.632 360120.6757 310207.3912 307608.9681 487725.4492 499058.2272 478484.6197 491470.3796 492480.8566 481922.1623 485862.606 486252.0259 497731.6187 145.7655218 141.9673887 144.458981 128.7672183 127.1794351 130.2417398 PC(38:5)>PC(16:0_22:5)_and_PC(18:1_20:4)_M+H2CO2_feature3 866699.8338 735825.8262 531134.925 673162.8115 680157.4386 564147.4699 516008.5538 739931.7417 564734.8139 663929.1741 649499.5427 685268.3944 654287.525 826717.064 695860.3987 553672.419 533364.4335 631169.4705 500558.7926 720188.7868 601635.2678 639087.8447 652096.9961 665256.4548 676698.8366 777475.3483 561634.2608 654128.215 681430.9607 712192.1071 582435.9346 703493.45 595800.9944 572034.1508 583794.8964 632919.073 633474.0518 652314.9291 498952.4938 544359.0481 659910.8505 685450.1103 473871.7243 572317.206 571403.8563 512416.2787 559909.977 671020.5922 467978.7341 690319.6781 608169.6234 573417.8475 539535.587 489191.3609 615355.4262 634846.413 634895.3667 624645.4216 615617.8343 623429.6751 620511.882 632121.2629 626839.6945 182.2606644 198.4671158 182.7153619 160.6763902 163.8724923 189.5154775 PC(38:5)>PC(16:0_22:5)_M+H2CO2_feature5 101094.6001 78805.1076 61468.54946 82819.14372 85362.2208 68539.22767 52682.76143 92068.57925 68319.27013 88472.71254 92125.95413 112226.4336 115932.6711 149194.8319 128395.8026 92813.23914 83310.21458 104407.2869 76781.67934 118940.1033 82929.20132 94318.42769 72691.43302 85555.13128 87636.431 135161.1068 86874.71151 116139.1555 117291.7689 128406.2859 68193.27258 80606.82984 71526.40066 80348.61379 70094.68686 79939.01214 66812.90123 98310.18342 57398.38755 63888.22945 104213.6794 108228.4905 70078.98761 89565.17016 92276.35325 74131.37378 90716.45936 118770.4601 68202.30374 111592.7866 57559.47456 52417.68551 51268.32282 46001.99678 91799.86182 90675.20927 87518.32712 91174.68562 93290.95871 86097.92609 94017.25873 91666.71128 88652.14974 156.8704489 144.7239787 147.3784106 132.1960894 133.8747815 125.0056013 PC(38:4)>PC(18:0_20:4)_M+H2CO2_feature4 2928162.383 2307707.277 1778547.728 2507823.058 2181315.899 1782526.439 1574038.298 2276901.081 1965907.077 2350559.892 2281363.954 2447127.098 2174847.033 2799485.164 2637449.954 1903688.539 1864765.416 2222932.936 1864719.423 2659228.495 1985380.753 2000114.651 2206047.155 2118762.413 2098659.373 2969266.917 2068598.941 2409468.428 2367388.402 2611641.028 2003575.62 2492298.672 2157175.97 1877822.693 2015736.943 2364504.582 2172001.868 2173551.323 1712996.931 1893611.512 2423343.687 2558845.94 1871052.792 2323047.934 2138173.877 1892968.968 2191754.61 2822229.47 1932433.653 2947670.094 2031935.017 2065034.746 2047883.82 2066233.537 2255135.314 2234254.942 2158225.311 2143973.499 2207241.419 2237514.558 2209574.827 2218389.106 2215826.594 161.136561 453.4801097 780.4457388 232.4160049 337.4077422 1311.745845 PC(38:4)>PC(16:0_22:4)_M+H2CO2_feature3 596551.0358 499797.5599 371682.3366 479625.2332 489583.848 400252.6479 329522.7761 531795.0488 436551.3477 456329.0935 425095.9318 458484.5763 418728.2542 529214.6045 472160.7217 348216.3664 354639.6632 422184.2618 333649.1155 518783.9062 401191.3828 403565.533 430769.8861 459797.9315 438039.7255 525635.5521 350570.2944 438968.7302 428684.3962 503537.7783 416641.3443 546958.3677 430697.836 448825.651 398133.1135 483596.2924 436933.0037 503160.1761 365003.4462 403159.5129 453432.6145 468915.4217 316471.8656 418482.0668 412683.4293 359814.8674 402411.9804 506331.0207 336685.1134 503883.4254 363036.6491 327478.6747 352228.3238 301479.4597 450560.5248 456026.571 445932.8888 437205.0296 419287.3612 441174.6583 419129.2821 471722.2913 454398.9451 178.6727823 171.8712134 177.400263 149.6873181 143.801985 176.9418382 PC(38:3)>PC(18:0_20:3)_M+H2CO2_feature3 123841.1157 131087.1344 114698.2461 124017.539 124443.8354 114314.97 61845.70975 97207.57772 90361.70561 98485.07961 120973.152 139906.7533 165030.9242 161393.0328 142972.524 132746.5016 123710.069 135671.4433 94523.20974 183406.9995 81286.15901 115471.4932 99595.90846 109031.1318 102748.0061 162503.8946 124759.9724 146506.1524 137332.3619 183561.3371 89888.83387 88688.37013 76887.64105 86678.95289 90863.74759 102152.5521 85434.35778 96308.88528 75123.23697 74525.26683 135388.8847 136792.4436 91402.93608 93634.59267 110375.0775 105850.7463 95808.69643 127281.7435 85611.71957 150798.0509 88481.97328 87085.99542 103369.2179 89927.11139 121931.1614 105033.0478 116066.8949 120208.0184 110865.4078 115402.5814 113407.6855 119734.0453 112775.8298 170.9632996 210.1761235 222.0538404 155.1826108 150.5491902 234.9292644 PC(38:2)>PC(18:1_20:1)_M+H2CO2_feature2 48553.16532 66891.16036 36443.89082 40030.29208 46633.75929 38996.97842 36057.88297 45354.46757 32272.03747 35209.16932 42478.94877 47156.85877 45769.82866 49029.93497 56338.79361 35180.00788 35720.25192 35004.87455 27378.37808 52649.12644 43666.67587 42052.56824 45838.83398 37105.23146 35613.59104 55611.02535 31770.39108 45405.01837 34295.3566 46926.59108 42534.68935 56523.05945 29029.13701 42073.36627 40801.67937 36942.49125 36808.11889 45849.72995 36916.53175 39827.10947 45711.23322 66419.15101 35177.50296 50620.28923 40560.20061 39225.98305 32411.21947 40697.4116 30654.19095 48419.10319 35565.14019 39616.56812 28231.39537 32163.17246 44261.98247 38440.42639 39593.87053 43732.8045 47346.3788 39488.13815 39947.15726 43036.72234 41499.17439 290.0347962 215.9985102 206.5832505 211.1013069 216.6443943 211.2165697 PC(38:2)>PC(18:0_20:2)_M+H2CO2_feature4 39938.80791 30222.63761 30474.71247 30368.36135 31157.4165 47216.77432 17250.81074 20340.96301 21668.54621 26871.81647 23525.46581 22585.54574 30622.23668 31827.66305 28466.32646 21767.07617 27404.67819 25158.8419 22189.421 36881.76588 19611.66613 31195.1333 23906.77354 27980.46998 25752.3489 40768.53094 24784.95695 30387.39827 28245.59699 36618.51355 21842.45296 27554.97703 20046.18119 21317.94545 16157.11716 27007.0092 21029.71869 20502.14344 16482.63823 21721.94619 29458.89614 28828.22035 17583.17824 22491.91367 28843.82999 18292.68826 25025.81718 29446.58514 17030.95247 32688.67997 23097.38434 28588.27272 33478.29226 37655.13161 29937.81142 29670.8511 28541.23451 24684.20201 23487.55462 29498.88202 27098.86232 25306.93472 33538.47044 175.7873335 175.0732445 181.9697891 171.8529703 194.641339 209.5309048 PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature3 69560.14724 57058.29163 43896.1205 52918.42369 52391.53579 44328.0118 37213.6133 55333.83924 42741.51646 48627.23467 44980.01517 43364.18601 40262.45838 52212.2325 48337.99864 35119.91178 34912.70234 39132.14071 32318.73905 51393.88194 47494.11979 50347.61984 49720.16302 45951.06119 45032.43322 55869.25491 34870.81488 47501.57508 48264.06651 48300.18599 44477.54089 58479.66704 44225.06492 45489.71567 40658.71691 52523.9097 49898.24619 50067.16945 37211.20925 40497.01092 40234.61466 54100.36481 36353.63681 47546.47172 44509.72835 34269.06132 41630.69716 59761.17674 35497.09885 54449.50915 47888.16619 48358.96155 42392.91691 40746.82097 45789.87371 49488.62858 45279.43584 46225.4517 44998.22205 46270.98676 47091.00689 46234.33382 47577.52057 156.1574412 158.0779432 162.809775 147.8644128 149.3944038 144.1790754 PC(36:5)>PC(16:1_20:4)_M+H2CO2_feature2 141106.5584 108571.9655 107480.1923 102326.4239 95306.49961 121342.2257 81170.25894 100765.0893 97313.63757 93180.7722 135277.3654 125590.3945 138441.704 197266.0523 113766.0382 110192.5498 100136.5518 133283.974 96517.70964 105522.3078 110341.9366 108689.6822 95745.83579 107567.5812 126046.1007 153061.6146 104909.3347 133169.5772 109938.6303 141873.0863 89395.13021 94379.02252 75148.06331 94292.39618 99087.77665 102341.2797 102571.7494 111337.8659 76973.98836 84710.26981 118377.0344 120541.1807 64189.03643 87210.86661 83623.39257 79979.27613 91576.23682 136085.3579 83430.83909 84576.50424 66444.99566 78539.8036 71485.77824 66625.18709 91448.77975 109003.7974 111688.0967 101192.5341 99140.64681 98014.98912 106504.8478 111986.7042 92525.92536 211.7279603 218.2499701 226.2455914 193.5074807 191.6146331 217.8492762 PC(36:5)>PC(16:0_20:5)_M+H2CO2_feature3 249484.386 189175.0127 148411.043 185249.9189 205281.1036 166468.0335 148576.0852 240993.4968 190091.6261 229263.6411 172682.4335 292130.7243 308711.4106 335928.5336 237864.0674 234158.5426 183843.2734 237318.748 172192.1215 233482.0708 245930.5211 277834.1307 234957.1215 255237.7284 213242.7709 253981.8876 182716.5995 264143.5609 270299.094 327911.5946 168872.7262 193784.6014 161973.6076 199237.4463 174212.1354 178266.8349 154675.5207 220625.6607 134468.8706 136044.6598 209726.0624 263866.4128 123729.4466 145097.5057 157847.905 134965.7962 144413.6574 159796.7026 90590.91388 175081.0023 144200.7336 135951.0871 114092.6222 108182.987 205443.2156 202683.2449 202961.2058 209542.2056 205633.6507 201298.3764 203405.9805 203451.4244 207054.1985 158.0501699 155.477072 160.6829133 133.2978859 134.5483101 130.9242326 PC(36:4)>PC(18:2/18:2)_M+H2CO2_feature2 275350.2533 275397.6034 195000.4542 238513.146 283002.598 243257.0925 162755.5434 215619.4314 198882.8679 190812.1375 237249.682 222272.0643 246423.4068 293230.5473 252943.952 225296.1164 215363.2889 244543.12 169635.0131 328801.3539 225080.5618 301404.1153 209187.2591 203576.5415 246877.25 287834.2024 175267.0607 254628.0685 268602.6502 317567.8128 191262.928 247629.2524 180243.0092 199692.7997 152281.0538 220765.606 206817.376 169060.3439 153712.9043 174707.7248 216200.903 236908.3438 145783.5204 189008.6008 208031.138 146203.9014 173535.2002 214585.2819 146804.2587 230726.4422 240118.1337 237460.3404 167252.8246 166132.6037 214167.0277 212847.2127 226125.9205 214784.0463 216725.961 210673.9677 213334.6955 222604.1562 214866.4965 142.967178 142.1886828 146.1207826 132.5011052 128.4744167 131.9255925 PC(36:4)>PC(16:0_20:4)_M+H2CO2_feature3 4555616.931 3547506.938 2876454.634 3400753.145 3666837.802 3048220.776 2838871.344 3821451.761 3087263.224 3582855.247 3564169.923 3550210.07 3227025.393 4493192.367 3747634.164 2775844.826 2848822.295 3269826.207 2760373.83 3715447.888 3072544.404 3164518.28 3338049.429 3678866.378 3413139.443 3767796.226 2916919.882 3524083.771 3554900.916 3719768.757 3187145.371 3833701.724 3139017.156 3380405.139 3073703.938 3431742.44 3391180.624 3550936.106 2749310.777 3156607.339 3519881.232 3848463.13 2738671.955 3193940.887 2949483.673 2607347.546 3196042.119 3646810.331 2403203.259 3712403.851 2873385.903 2763619.439 2616994.364 2598515.689 3330891.831 3328324.174 3306550.625 3288473.547 3183328.212 3362572.772 3208305.166 3403429.795 3316324.919 213.128514 486.8925941 394.4175389 460.2440012 548.7895445 1412.163936 PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature2 767274.6585 754719.1597 534443.6972 644981.9405 709263.0079 567117.5273 465223.5538 593290.1083 521074.8405 521606.7971 612572.0735 624814.2526 598703.0061 763434.7995 716428.9307 570732.4283 540183.6501 599565.762 458854.5328 763825.8452 554729.8696 668122.8391 595253.472 575392.9546 619214.9127 789782.213 491218.8489 675866.6937 664926.9821 757533.1101 525299.4861 677961.1117 515183.6926 539634.7081 483354.3365 576437.068 599565.396 541450.07 455257.5428 514238.4249 590488.5298 738671.2287 463835.815 593065.0301 587593.8676 479407.0787 543036.8776 709846.4421 458261.791 682120.4905 621059.8086 596936.8753 496104.8594 498926.5203 600041.2196 596380.118 580413.1859 589150.9282 569963.9947 609478.9431 576897.3832 598031.01 596471.7244 176.8741999 174.0652749 173.7823222 156.3802131 156.458538 355.883229 PC(36:2)>PC(18:0_18:2)_M+H2CO2_feature3 1914837.134 2002590.024 1569114.628 1719580.955 1789273.025 1608392.532 1173375.666 1398550.381 1231809.746 1491584.892 1486362.543 1585821.392 1674810.073 1818595.944 1874053.226 1486303.998 1434091.09 1511968.178 1197650.399 2078622.456 1448895.607 1726465.342 1492770.114 1507077.023 1517202.329 2068407.709 1450755.468 1886182.009 1820657.358 2164659.143 1392265.2 1846935.519 1325698.089 1343357.913 1305361.449 1553944.421 1567350.287 1430934.651 1176274.226 1223038.291 1526928.306 1973613.179 1218236.093 1436128.614 1502731.267 1220686.811 1381823.41 1812877.478 1264210.125 1827805.275 1549578.256 1538835.26 1347055.84 1306100.853 1558922.889 1601866.7 1588963.216 1537076.523 1514712.878 1595314.881 1489316.044 1604032.822 1606903.886 166.7642432 188.3608385 198.8792139 157.9388919 171.4205758 476.6795571 PC(36:1)>PC(16:0_20:1)_and_PC(18:0_18:1)_M+H2CO2_feature1 2138941.66 1952889.873 1382082.425 1735775.13 1462303.823 1225061.598 1100508.312 1617949.395 1350459.378 1547977.607 1345995.389 1666743.359 1558685.282 1802627.514 1943908.133 1413849.992 1368225.431 1381865.789 1335696.503 1641793.987 1493296.521 1514714.401 1609158.152 1646976.194 1324148.748 2098224.282 1458246.098 1829640.273 1848739.497 2024912.719 1260929.31 1951128.882 1450043.933 1293921.74 1411823.622 1681973.199 1618559.528 1596969.785 1154874.512 1311981.515 1790450.045 2148981.257 1173776.698 1562214.055 1544285.697 1452738.713 1544285.009 1836043.083 1387522.099 1980607.717 1283081.957 1508225.544 1356398.701 1277475.127 1658425.71 1466434.514 1647161.966 1624462.218 1595864.558 1584963.948 1644262.697 1660633.312 1505291.651 176.1201032 245.9517793 188.8469471 170.7286502 175.0439121 432.4204264 PC(36:0)>PC(18:0/18:0)_M+H2CO2_feature3 73053.93655 67609.08763 51298.23465 61933.98082 59837.48866 55673.05029 39502.39891 60101.03854 49933.7604 51812.24716 48696.90023 51886.63489 52242.36531 66854.6454 69796.14525 44913.30027 49824.80952 52223.46462 41445.47673 82827.42518 53598.76243 55285.66128 56898.70877 59889.29578 55107.77727 72684.12057 53649.91469 61651.60388 59325.78748 67547.32434 46352.60106 66781.16784 52441.81268 51806.26993 54795.26194 61052.92303 57626.10562 53554.8622 44302.86686 49481.19805 60281.47846 58685.62619 44418.99791 52592.6362 52256.48533 51144.52839 50902.58318 73274.79587 50472.97967 66510.72177 57789.06734 55700.29011 46041.19206 46154.70372 54156.51613 58388.66087 56312.55735 52177.32467 54935.95416 53027.28388 59751.68509 54866.7251 54738.71921 125.7408968 114.6795246 121.7678009 118.0608175 125.8070262 115.933544 PC(35:2)>PC(17:0_18:2)_M+H2CO2_feature2 53340.48938 56685.79882 45397.19209 49886.85869 53515.9896 45085.67477 31858.62934 43621.59387 35042.69445 37990.18454 36753.16457 37153.47669 40842.01825 43094.57806 45485.89992 35586.45877 36774.85234 37364.22402 26156.32082 51970.95996 40085.02458 53653.51291 44302.31853 40946.68713 42668.68396 52546.54585 32494.53872 48442.06907 42548.10159 49999.89345 35639.08046 52653.78707 37058.18087 39507.40167 31886.86693 45068.47983 45497.42987 35840.88951 32331.9626 34183.10385 36817.01669 52950.86695 28367.96565 36779.57682 37297.68598 27086.3538 37041.78235 46153.5658 29570.53089 43942.16626 47445.33049 47463.04534 37213.70204 35361.38395 42573.55784 42909.64899 41907.45818 40916.11692 40335.40298 39786.73402 42643.15596 43340.86499 42244.66672 172.6096463 166.1146112 176.3368232 148.8682719 139.1598407 176.1076602 PC(34:4)>PC(14:0_20:4)_M+H2CO2_feature3 118958.4852 90730.91442 76776.53823 84528.96442 102513.5557 88272.8492 57659.13742 99968.55421 81106.90934 79061.59974 100426.5247 90908.0182 103566.1977 152453.8317 104860.4742 81615.61165 80634.86159 95562.54855 71694.64484 120732.9273 91636.96002 109643.4609 71521.49994 86274.60232 88835.02896 115666.2626 75118.67547 96097.85661 90763.18961 113822.0464 64855.40753 84960.40266 80360.67335 82026.66481 65787.42064 70069.57898 67180.31462 83668.54228 57132.01896 61267.62851 86059.62427 83472.67776 55298.72401 76562.2959 76406.14042 63444.23799 70648.44475 84724.01856 55075.72334 90280.17202 66940.89191 64054.92005 54526.2478 49325.2731 86120.64544 86398.58588 82206.77088 84610.84416 81781.67766 81741.03736 85956.09786 85938.79699 85474.22407 141.2313197 142.3903763 143.5536941 128.1255842 137.6163733 122.230318 PC(34:4)>PC(14:0_20:4)_M+H2CO2_feature2 35894.5521 31342.12982 27082.38552 27016.15337 46442.32115 37410.78062 20343.25469 32611.56687 26775.11526 21101.71258 26693.15984 26456.94137 31902.57166 43173.38379 40318.03025 21840.55684 33984.22339 35976.52419 25757.3824 41058.30189 35264.01024 47806.004 8303.883478 25598.20107 29206.61041 36606.41704 23055.76544 35760.07857 35442.99237 26256.59566 23786.96326 9033.801575 17705.70001 33835.56004 17047.07182 20019.91753 28393.89575 23069.39459 17519.98401 25305.14885 31223.73761 29120.11883 20911.86835 36794.87873 36414.27294 24415.3632 25453.31477 32527.77364 23455.2219 33686.40935 13327.80358 18936.75806 13962.54419 20955.54973 34608.21678 31396.8569 30510.92448 33334.29942 35592.70206 37064.46772 29479.94347 30193.18397 35007.32952 274.7937275 283.5807984 265.3538969 296.668017 292.4468315 282.7023316 PC(34:3)>PC(16:1_18:2)_M+H2CO2_feature2 261461.1212 229777.1176 182871.9778 205202.9142 232932.9857 233986.7652 139811.0656 189504.8658 179090.291 177606.0014 183377.6187 243039.2897 238332.5166 236937.4813 227069.7148 229260.04 207945.7381 297210.9874 195699.0186 255011.0026 241044.6042 311601.874 173743.2003 205693.6071 232877.0135 257660.4701 143389.8806 261752.7717 213214.512 226187.5588 157565.3575 204164.1007 183251.7345 219030.5873 163695.133 185829.2087 188821.2805 179401.4614 126339.967 163393.9301 216072.5859 210304.4405 147154.6607 189703.4924 191525.899 138653.5472 157618.3802 206695.0774 120835.7343 172494.9365 187891.2473 250016.0608 145878.5325 126050.5948 197156.8701 190555.9554 206077.4184 245255.3332 189906.3336 195935.7884 209155.7664 191386.9183 207621.8482 282.6537084 278.5265838 287.8018229 251.9913297 254.5592251 247.9000473 PC(34:3)>PC(16:0_18:3)_M+H2CO2_feature3 280890.9062 239011.9511 222246.7274 234504.6065 282587.2203 250470.2218 151800.7679 222768.8291 187472.7813 183131.1241 263565.202 208375.2573 304343.878 317758.0758 289587.1861 255799.8492 232076.7154 251061.5211 189083.7331 333020.8203 198911.8851 265172.269 178929.6047 199130.8669 228754.4778 267131.0769 208258.9451 275682.5092 241474.9651 300687.6057 167875.7376 201685.2164 178172.9462 193997.0282 157267.2305 175700.455 173905.6909 181161.1828 149502.3854 146534.8436 255532.9618 239818.0903 181333.1465 219601.6758 222590.3168 173970.1754 204653.0929 232246.9623 169497.6608 256514.4934 105829.379 153527.8699 128680.2148 123959.2112 215389.2593 224151.038 221778.1949 225504.371 222826.1247 220051.6367 220029.3366 223263.9252 218555.6379 162.9148921 166.8465504 162.0258539 144.6329774 145.9413228 141.3491124 PC(34:2)>PC(16:0_18:2)_M+H2CO2_feature1 5850295.589 5323692.563 3919546.255 4643786.737 4912888.296 4729035.843 3594497.787 4794522.418 4031405.754 4121144.013 4160792.947 4712268.176 4557717.179 5471545.082 5163718.065 4191311.111 4144745.502 4685909.008 3422318.76 5335507.596 4478995.938 5244213.651 4224911.573 4667876.369 4820421.785 5075510.714 3560536.633 5049715.359 4966739.603 5426517.776 4120829.683 5065429.644 3948920.837 4274025.74 3837574.239 4431614.128 4633972.25 4496419.181 3505057.173 4032980.895 4367151.225 5419591.722 3206559.93 3967875.033 4166737.606 3204774.374 3728290.07 4751528.311 3146408.794 4452627.605 4172339.037 4176578.766 3369955.675 3281565.24 4368981.837 4488650.91 4466858.703 4593621.573 4258038.922 4547935.368 4421541.946 4448530.682 4438525.879 327.4089637 346.0327012 492.9490965 638.3608244 829.47124 2198.733108 PC(34:1)>PC(16:0_18:1)_M+H2CO2_feature2 7271533.413 6148193.698 5039184.964 6254528.499 6506173.746 5341885.244 4788445.619 6124554.001 5168622.763 5589886.537 5937809.738 6097028.856 6021431.906 7158959.574 6326766.204 5220600.457 5226646.707 5712080.809 4858551.369 6746888.574 5184326.069 5472014.588 5376783.392 5559056.893 5648983.282 6596585.454 5150541.388 6627724.601 6237711.651 7064240.465 5024142.991 6336755.209 5289365.32 5638647 5230563.564 5780505.199 5682821.356 5826078.048 4597710.68 5234948.259 5880309.694 7126825.431 4473872.897 5520305.477 5764242.15 5029905.592 4993082.664 6556092.291 4568889.985 6767414.832 5007060.906 5056722.224 4444917.767 4456529.668 5689713.005 5698803.571 5683010.683 5913566.636 5892050.077 5751328.114 5831834.461 5631521.962 5683969.681 1029.185458 1048.814466 1211.444475 1441.817245 2062.965716 3759.639666 PC(34:0)>PC(16:0_18:0) M+ H2CO2_feature4 1836734.806 1659270.062 1160379.791 1482768.612 1531031.317 1313311.038 1140791.266 1440275.208 1201387.491 1361343.904 1431261.989 1447330.02 1377652.405 1854645.131 1757110.43 1223381.769 1203912.291 1400602.454 1159028.196 1753580.801 1291886.348 1411813.117 1408660.436 1408293.616 1429141.315 1852122.713 1326829.087 1544877.418 1534238.704 1777536.695 1251879.43 1690248.51 1331369.808 1374925.941 1267616.251 1408518.205 1414643.962 1391495.035 1081482.526 1228739.017 1445626.987 1588715.331 1149816.574 1365652.499 1383773.451 1189990.386 1321664.716 1738739.548 1219405.899 1747040.592 1271853.536 1368764.185 1087160.945 1032360.38 1434138.787 1400450.31 1448550.506 1393259.333 1367074.399 1381435.062 1398349.508 1407078.898 1466004.233 329.4384118 367.5288499 556.0753491 321.0384397 312.9573259 340.3680672 PC(32:2)>PC(14:0_18:2)_M+H2CO2_feature1 1293168.7 1133169.347 638593.3535 1002567.586 800985.9785 667755.3585 708448.2755 779753.7172 615163.3219 821089.9886 666683.4688 939954.9253 696811.6979 866233.7585 873907.2724 630744.2424 634011.3831 684482.0524 598575.9179 1002753.286 1132607.371 955754.5831 981960.908 963044.8948 718570.8414 1099151.276 628636.5462 987352.5089 755857.2934 895400.9944 821561.1847 1121081.076 582711.2057 646609.8651 784680.6414 945742.6961 557918.4729 736038.2022 690247.5224 716994.4319 787039.7005 1019545.793 572981.1415 730459.388 818869.773 746064.4986 704972.5699 1244584.141 742017.3143 1044473.02 812595.0154 845351.9391 676251.1878 601648.7139 676374.2436 833466.9681 734059.6789 822628.4739 673945.1778 715371.2364 614974.3211 833849.0787 786131.9553 273.1747783 271.7606537 281.2264239 216.3110858 215.0394056 244.122634 PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1)_M+H2CO2_feature2 8170657.314 7203377.855 6130670.232 7003289.308 7279567.853 7000993.302 5399697.105 6818656.322 5878824.665 6418760.267 6246847.776 6913987.454 7221949.284 8199970.486 7337942.638 5627676.354 5585618.873 6925738.061 5315589.293 7612042.817 6216719.103 7035551.523 4791997.756 6567330.792 6240057.538 7149738.561 5589418.854 7308605.978 7469819.327 7690331.727 5642293.435 7003158.771 5779701.156 6415575.236 5391896.811 5920041.542 5949700.236 5965684.445 4712463.031 5406518.16 6427268.139 7763550.729 4788171.317 5833978.394 6100553.859 5385601.28 5814689.045 7127173.466 4601815.477 7184734.202 5523955.722 5637304.254 4513931.851 4620415.278 6241301.399 6259062.067 6369125.632 6479826.401 6305125.605 6581082.849 6356279.024 5762024.805 6596756.557 607.5070931 629.4478924 412.1979817 1608.765306 1539.882511 3532.188385 PC(32:0)>PC(16:0_16:0)_M+H2CO2_feature2 16138735.98 14292492.82 11323062.5 14758809.08 14157959.07 12735339.88 11086893.29 14374550.62 12437267.34 12988797.58 12227978.22 13318884.64 13077938.35 16030686.58 14794406.79 12473619.03 11516408.69 13387049.34 11302568.73 14736881.66 12927136.38 13351272.87 13272551.45 13711916.68 13372320.78 14428584.98 11482390.7 14282707.83 13813868.73 14744261.37 12271797.42 15620054.96 13132727.73 13585069.97 13298472.37 13703167.2 13806585.87 14407137.95 10978414.84 12460046.56 13044978.01 15236187.29 9757857.167 11719641.33 12638158.39 11350907.48 12059479.29 14006782.49 11157375.87 14468474.2 12499898 11531071.58 10232850.05 9234863.595 13498869.45 13052878.33 12881859.62 13236816.28 13220810.69 13053164.88 13202859.55 13601265.61 12927949.21 4016.590277 4843.54255 3690.446919 5553.159747 9926.343284 11424.51205 PC(30:0)>PC(14:0_16:0)_M+H2CO2_feature1 3549067.703 3069631.214 2824517.05 3064362.891 3494929.375 3382418.786 2188471.481 3257199.799 2625397.8 2740334.755 2838525.002 2842361.366 3360898.446 3991588.87 3275932.523 3080953.236 2849673.477 3330807.335 2495478.302 3757669.567 2563643.174 3158136.947 2436211.115 2999389.279 2770129.066 3264584.124 2593619.871 3220065.457 3023775.866 3559291.767 2435024.439 2772044.094 2541308.354 2872323.502 2378145.206 2504056.564 2717311.519 2714021.425 2189801.112 2269321.07 2956590.587 3123050.197 2125620.871 2609330.339 2726035.702 2318868.711 2682353.821 2762335.565 2342242.341 3108593.694 2438790.576 2499850.831 2147203.645 2185792.354 3011063.77 2966063.788 2874194.948 2973657.202 2883259.292 2841648.256 2922464.805 3013049.989 2997994.965 174.089676 286.0057188 272.060299 534.635916 162.6957404 1533.153429 LPE(O-18:0)_feature1 52184.2841 39116.32533 25819.52784 37970.62876 35897.45364 36206.88125 24447.25754 40651.65619 28849.06105 34465.10597 29869.05663 31408.5662 30488.02308 43104.42805 38336.76766 28580.61524 28352.26356 29331.15835 23101.68059 41167.94391 32781.68463 39277.62351 35613.89376 35785.89014 30706.23982 41091.22968 24775.10505 33557.87043 35350.74596 39775.17867 27964.25399 37046.8715 30980.9799 29615.44455 28337.53201 30709.28429 30810.29377 30606.02946 21255.99302 31341.46368 34442.49064 41200.46052 20396.80571 30891.35199 32057.60712 22633.54389 25319.00327 37511.96739 23125.60779 33502.54923 35566.34073 35147.74042 26661.11662 26821.89164 30376.8735 34335.04194 32550.12503 32453.66542 34295.67542 31635.58935 31251.9297 33471.31014 32089.27964 107.6834666 109.1301614 106.43239 94.56537602 91.03037307 97.28196997 LPE(O-15:0)_feature1 26673.51358 27244.9229 27112.16712 26486.24294 26212.65866 28358.76772 27321.93459 27198.82249 27466.09935 27829.99625 29445.36981 27836.7879 28742.47803 26691.14901 26066.95528 27394.01867 26115.19094 28832.03727 27282.79482 29016.10912 25500.44231 27857.74403 28094.29122 26798.74745 26038.18876 26192.42884 28132.20643 26524.72305 25336.67848 28866.83116 28541.98051 28877.23492 27192.01387 27308.98263 29504.85037 26803.39103 28512.85687 27063.24551 28999.37632 26780.05194 26959.2156 27705.845 26965.4039 27489.85408 29821.35083 27664.32361 28173.43607 27256.56484 27976.87146 26949.4879 26954.481 25714.96447 27117.24805 26968.22391 28241.78611 28094.68345 26745.86496 26962.35014 26777.85365 27711.97156 28243.34663 27832.27571 27428.20795 125.8909694 124.9364372 114.4410258 112.1207209 111.7457358 109.4813918 LPE(20:0)>LPE(20:0/0:0)_feature2 108613.3276 105817.1749 64654.99005 87334.48083 99551.43447 80147.84249 63736.05527 81287.4175 73273.66811 70622.70971 94701.17224 86560.5027 77344.79114 102828.3554 128315.8196 70958.05665 68682.3375 93433.90356 73858.75481 118599.3714 86280.8242 96140.18953 78475.39568 81057.84202 82920.81242 132133.5666 78098.81116 105578.8311 104460.9522 117042.007 71743.55905 99279.93901 70602.42776 72680.82954 78550.11554 79170.05711 86859.08454 87141.05339 68083.63762 67328.8529 98006.94941 104673.0704 59921.91547 83701.1515 85601.50309 89301.6134 91469.10681 112202.7227 80033.04172 116231.7063 80708.38241 86995.01889 63162.00143 69244.12962 91941.93764 85881.03164 80329.84978 88017.09078 82535.76228 82957.24297 87911.85415 85544.86471 90302.36137 104.5480091 104.7365656 97.09893824 107.0920904 97.49143489 100.954334 LPE(18:0)>LPE(18:0/0:0)_feature2 170850.2496 157982.8822 108019.4378 145368.4537 174437.1191 144929.7139 107015.5862 109467.3825 104831.6927 105284.1028 124840.049 138658.3823 122608.7936 187769.4534 174530.3837 134700.849 128457.683 132131.9718 95301.86353 195781.3029 105513.1395 140647.9709 114629.8476 116228.4853 115191.2836 204540.9951 111722.0674 162588.9985 161561.2213 169173.4757 113363.4342 147360.1089 102134.3 104924.0232 98234.14447 123643.7107 104789.5527 137885.583 82999.14982 110533.3974 145076.4122 185882.2335 92587.16882 127347.5911 156047.1969 118964.8602 114557.4482 177310.6761 114701.1332 174549.6547 99480.40403 104399.414 93043.09215 90253.09838 135887.9992 132135.1784 131792.3926 139117.2867 128911.2245 129592.3428 129116.9805 143530.8904 131681.2677 102.0312347 109.8065287 105.8953705 99.51756302 102.9479693 103.5697826 LPE(16:0)>LPE(16:0/0:0)_feature2 92382.40974 74691.63917 54121.87745 78191.7207 100579.0666 78347.85491 54620.2376 65077.9329 62928.80906 61042.11435 56117.45017 64211.3867 58675.96424 84176.78421 74036.90178 61020.80914 53503.51795 63485.91686 45337.93838 84216.21729 62702.04054 79570.13291 58162.75865 64279.15477 62074.73324 92479.24078 50914.64318 74655.9691 71201.8499 80263.05515 61541.1935 78483.35973 57252.03773 58445.1766 53252.47149 60767.95852 63793.46347 72021.78394 43871.84906 54436.0692 63097.38186 85202.20277 41453.09528 59674.89229 61749.57309 45461.84158 53804.01395 71796.76036 46582.98535 65622.6915 50006.847 50414.0813 44949.93945 45557.6959 64117.14907 67628.63078 65900.14927 64401.83318 61504.1267 65355.26482 66075.76102 65945.48399 65313.96783 132.3789169 129.701117 134.1561158 132.4634481 136.9965501 130.3951168 LPC(18:2)>LPC(18:2/0:0)_and_LPC(0:0/18:2)_M+H2CO2_feature1and2 156026.799 221293.9676 196040.5484 172700.4861 291702.2377 200124.9383 73375.62402 81773.63028 151240.3737 117053.3271 131871.7414 103618.046 100798.4003 121164.5896 156336.5468 134728.6465 118269.641 188896.8041 78350.57026 278861.3917 112760.2668 192197.0538 79212.14938 122384.5162 124743.6696 158637.1334 105983.8873 127753.3902 140353.6466 155452.5036 89528.97048 158371.5088 104873.2135 90348.46209 105104.7188 81784.53192 162112.5763 126484.1016 78986.32558 92112.53149 75821.72536 115576.7225 95248.60878 84809.08957 85872.81685 62918.63409 88235.46235 94768.28168 72999.90896 140922.4642 133701.6974 129514.5931 117627.0318 120557.9866 103763.5439 162027.6928 103688.2417 160125.8971 113020.8895 164209.3805 121050.9751 114804.1862 129796.6707 180.7333456 203.1363759 211.7244216 188.5682707 212.2906094 225.37828 HexCer(d42:2)_M+H2CO2_feature3 33602.09109 35332.30825 24800.78507 25853.27897 31208.07379 23949.42025 20084.1406 27103.53556 31784.011 44978.8217 45507.30381 46369.06992 41121.31788 41444.98059 51869.75247 41745.52948 27598.28184 38011.72449 23557.10879 36163.07283 23472.24437 40381.77469 28972.90783 30233.69762 27509.67257 49660.87512 23696.96257 51009.05524 36231.89291 38266.05355 27517.55857 49657.30316 25841.78707 36501.9826 20362.50834 24909.65812 23546.86818 25323.36557 19164.95041 21920.04566 30210.08269 34515.62861 19378.84051 35748.63583 26673.68483 23770.60746 79497.92047 36609.37975 22961.21072 113754.3481 22417.07394 26174.47998 31439.22997 25216.10848 26063.31012 25332.46279 26907.38025 30220.96861 25676.16268 24757.79565 26807.48482 26489.3647 26663.79728 103.5872946 81.67163273 111.0590111 95.28786207 100.8696905 133.4877011 HexCer(d42:1)_M+H2CO2_feature2 96802.79814 72434.17437 82108.83722 80098.02081 79118.00363 85087.69754 74907.1892 102570.7017 62475.17725 91259.33966 72562.39642 82664.02452 110393.7216 107905.7699 82558.96065 89630.73987 62878.47823 127202.68 63091.4485 94167.24215 84934.85137 86160.58269 84265.2867 76811.70869 84225.58871 102650.7022 59041.1696 116228.0256 85997.1216 102512.5472 85308.56023 100767.4013 56329.66726 67237.80403 70958.43472 61048.30866 83220.41273 66093.16266 66162.46317 50792.16764 65143.71522 91611.63324 63142.32574 76587.31651 64759.16819 53453.4889 53831.65104 105129.2293 48605.87837 79750.12416 60540.73445 93705.66818 64977.06143 80175.30533 90088.5049 92713.6536 66245.44887 73430.4135 93819.58641 70976.63738 79238.36242 73129.52338 102892.7316 97.21293577 230.2790739 101.9231869 101.8820325 105.7085176 124.7044713 HexCer(d40:1)_M+H2CO2_feature2 59234.43498 70779.58796 49267.49131 57040.12719 65470.46666 55878.9393 46511.62841 49461.29025 52105.52783 54911.39858 56659.48795 63522.16573 72594.35498 86585.43886 68743.02769 54681.80064 48669.02622 66696.67487 48553.11108 78307.69714 33298.90269 53106.95024 55747.39101 61528.49096 59597.25788 75382.98846 54069.36588 70729.39735 66864.71041 88832.09281 52130.72304 72449.82697 51620.97242 56492.37128 50580.79836 54305.16181 39539.76173 53657.98146 40395.63891 34523.42574 54947.10041 81911.44614 25856.85059 57006.57315 57519.01021 45123.00791 50970.31026 64646.45266 40984.024 73940.51798 57896.89866 65367.81927 47609.8432 45953.11149 60795.02903 56310.96141 48533.18145 56795.23728 43116.5988 56221.72857 60887.07753 53299.08021 56594.44355 94.70908015 101.2488823 76.4896581 90.74884428 128.7657779 137.8315907 Ganglioside GM3(d42:1)_feature1 47654.12369 41585.87422 34825.03154 41615.48043 37072.918 32312.14642 47938.95688 48037.12833 66668.46289 31493.81373 23938.65598 30446.68436 34363.71725 52000.88769 47656.52029 29015.40109 26474.65245 31103.43043 25839.09788 44300.35908 32635.62506 38925.0388 36494.6069 58824.66814 39215.36509 45094.13101 37892.47895 38684.65657 41543.59055 48996.71422 29120.64173 44132.02485 29867.74242 39497.07393 30078.3883 32822.12626 30759.23457 30296.89265 32021.03599 52245.92681 38441.2713 49751.38981 42292.26587 39753.4416 29365.00911 31296.6285 29860.06083 44135.3037 29205.8548 41319.79559 25962.11259 26379.79812 23057.5861 23335.45179 40828.40297 39022.29749 37022.96584 37685.24975 38722.16805 39867.3055 39067.52804 38523.65698 39557.67587 121.3249708 118.3023236 117.664768 119.5911891 144.1658029 180.1028833 CL(72:8)_M-2H_feature1 51696.43848 49359.00963 43608.53814 52002.89786 43871.56873 38190.96339 29531.06841 40175.50966 47950.90633 30187.36997 29524.14207 41676.50486 37741.53165 49744.93691 47566.54586 32754.96636 32112.06762 30119.83877 23495.14416 55870.18626 36294.98696 50200.37683 42880.9623 49907.15918 38447.43159 59988.73887 33871.75451 39080.34475 44569.29057 57295.61536 50767.54143 51804.50765 26348.15367 32353.37752 29312.5426 50005.90007 35857.65045 30057.90011 33832.20344 34051.78694 38490.00455 57826.314 31392.1248 32682.16157 30016.76745 25151.93681 34523.73669 42408.84344 32284.96335 42441.1126 34564.39158 33196.58993 30867.24285 28826.99863 40915.00067 42134.0215 41225.63635 42060.42689 42053.89968 39760.35859 42070.068 46314.09508 37697.53364 165.6389089 161.7461813 165.9610096 143.3000433 141.7116816 152.4257561 Cholesterol sulfate_feature1 280019.52 189152.9543 167004.0651 207174.1186 199024.733 151943.176 154699.9421 198479.6327 171561.2435 178553.2015 221012.3773 258233.6574 213284.5772 342104.782 271647.8585 228660.4516 183851.6551 232458.8808 195918.26 312854.7219 165639.3256 183601.2612 137434.9825 194956.2186 189075.9076 343181.5757 218008.9563 288046.5067 263211.8218 317199.4689 148906.7007 212722.3644 153395.9743 159823.8243 149418.0221 161360.3365 181626.7052 179381.6297 136565.8562 145820.3046 252513.886 331837.8195 180822.2613 223032.6185 243975.5888 193485.9789 228150.7619 279299.2712 206256.365 315879.5943 210681.6261 202125.1601 162157.7547 157108.8358 212617.5195 220653.8914 210557.9673 213999.7285 205166.5733 217205.3326 206265.4964 215828.9528 219062.149 116.3575582 162.251115 124.3930504 97.2102424 133.6677214 177.3575853 Cer(d44:1)_M+H2CO2_feature1 27640.04231 24045.5138 19752.46867 24749.23312 27544.62 22848.59206 15260.52681 21203.3042 18880.30074 20097.56611 20062.58521 23275.48348 25343.54028 31354.51061 28238.3039 23265.50522 20917.82716 26431.86053 16643.23331 35885.57579 21761.62194 26040.14987 19059.24166 24200.38232 22833.44443 33668.35377 20600.16667 25682.5607 23597.49254 32146.51998 17650.74954 25317.17148 18123.62032 21398.59895 16139.78898 20708.24678 19476.63002 20503.27105 14458.62567 15997.70014 23293.02043 27825.97062 15856.41928 20456.04356 20965.39531 15730.59456 18820.55117 24620.42783 16539.13317 28415.56791 16671.54779 16481.25563 15659.34384 13491.61541 21613.1242 22050.87715 21839.58132 20838.47361 21662.0173 20491.91811 21829.25606 21884.48556 21896.11845 157.1598773 137.8019798 149.5726532 139.5575026 129.6975432 141.1308191 Cer(d42:2)_M+H2CO2_feature3 940365.7792 822078.2355 576308.5181 291020.1636 739063.0743 612282.4421 526180.9701 624497.1144 513718.2109 657172.3124 602686.5361 563856.0546 652131.1139 758668.2704 348858.6878 438229.8706 473753.0114 507263.5324 443622.4291 753297.2656 520680.1086 620125.3695 538028.7755 542779.4799 505102.9448 900871.1915 430183.1351 713430.0969 663143.1875 780680.2583 487283.3793 736138.5803 508549.935 564819.5357 426199.2932 544001.4518 548428.3125 623566.5937 412420.3222 516184.7126 560773.0844 794521.5702 407617.5747 653537.6298 623341.793 448483.9821 490137.1118 819151.7645 401428.554 731512.3047 507852.8989 650270.752 404048.7831 553877.0002 540326.5494 446552.7347 483603.7638 500314.2491 581905.5786 555621.6978 566327.4169 461693.277 438239.7866 271.4568175 278.3333611 274.625196 380.0869048 370.0485143 412.1128585 Cer(d42:2)_M+H2CO2_feature4 349113.719 311454.4889 199413.7466 256232.6195 259725.97 227753.8688 175225.1789 251807.5866 137105.2349 248543.7502 232934.3438 258865.6231 280948.5268 321986.4397 289204.0075 194252.9618 136349.0266 147056.5334 111038.9827 327053.9154 221839.9785 248993.5605 239473.626 158962.9316 155586.7466 316326.5482 208651.5457 302713.044 257640.1648 324380.227 205472.6275 316417.9675 149832.9048 144492.9071 202443.1003 248998.3147 236656.2339 249071.7624 114403.0503 136108.9829 160579.3678 299983.9317 119541.2553 152740.0219 238442.2553 191487.0339 206274.7765 204808.9507 116779.4194 320431.2491 176384.5332 175125.2268 143505.6037 100471.7104 229350.1967 222980.3604 228774.3462 219963.2389 225735.6783 231030.0885 228960.6288 214454.4774 232830.7054 125.6111336 120.6349861 110.569313 117.6334413 134.9087492 140.1699264 Cer(d42:1)_M+H2CO2_feature3 68093.77555 55696.2521 42926.53884 46398.37533 61797.34446 43057.48739 35548.81937 53930.62878 41680.1374 42280.69263 37841.93169 48811.81865 50768.73398 59421.82997 47526.53391 38104.82858 35392.9949 46700.55005 30489.96639 64034.9044 45840.88117 56904.94654 40548.70022 49414.93375 47973.34266 61327.71069 31723.37994 48707.93775 43529.97088 55812.35803 38213.93832 53302.55289 44891.75369 46688.19345 31918.29525 42013.22717 47050.9553 41385.66727 26204.61425 32815.75088 37638.84426 58120.18704 23541.44284 38321.14462 43641.98333 29813.74651 33838.58774 46601.07052 26748.28834 44827.93465 34056.51069 32797.09986 22725.87261 22163.51566 42953.5811 42121.8068 37993.21506 40771.26533 41802.8856 41282.95966 41576.69179 40559.54707 42124.59912 107.3017538 102.959986 94.28585285 94.38842799 100.7321013 137.8591112 Cer(d42:1)_M+H2CO2_feature2 1632396.796 1194684.68 936831.9384 1126018.6 1254149.674 1004500.782 870294.7048 1140868.956 921288.501 1036383.652 1065790 1119895.269 1171303.692 1538338.407 1339385.49 949669.4346 943493.8753 1108081.76 804911.7172 1348071.585 1009553.275 1075698.608 1006972.869 1089006.186 1025582.326 1518198.577 932700.0706 1288995.046 1240024.086 1454325.556 955281.722 1339040.919 891285.3803 1097437.921 835205.0241 1076960.703 1058736.914 1105368.937 782089.7727 958639.2001 1119457.438 1420185.478 799980.7247 1159430.01 1075824.984 848917.2881 958086.4896 1341311.713 774371.7964 1323506.415 801584.5225 897866.9986 701584.8682 741786.1788 1049378.783 1035781.158 1041839.639 1030501.571 1022978.975 1064788.34 1117075.482 1005189.365 1013954.808 331.4039369 341.301078 355.5769526 361.7791686 366.2921617 459.5622145 Cer(d42:0-OH)_M+H2CO2_feature1 30755.39345 28311.67372 21761.66196 24228.38574 26187.63738 22005.21939 15421.87185 22803.76155 18524.9068 22025.85308 19909.98737 23740.79481 25135.01986 30046.83496 29346.14149 22327.90022 20364.57529 22001.70137 15728.5704 35111.0489 19343.45229 23286.94406 20520.36915 23048.06393 21773.18666 32797.75789 19682.68855 28138.66698 26050.76122 35405.46772 17744.03421 26839.44 18253.49058 18515.34462 16046.81156 20616.33075 21227.52882 22040.50116 14405.77229 17051.3674 23510.08615 31218.98582 15986.31944 23495.32551 21360.30744 18052.13374 19440.62478 26069.30777 16975.33539 31641.06174 18233.44297 16608.56621 14616.08517 15176.78077 23480.56423 22952.27751 25349.89148 21880.63992 22152.22271 21397.20285 21174.38073 24963.95429 24642.8757 142.481157 153.1424421 138.4727806 133.5668974 140.5519207 136.3076544 Cer(d42:0)_M+H2CO2_feature1 198899.5929 164249.5174 127715.0658 141198.13 164948.18 125482.0683 110685.3091 161548.4005 138700.9475 143858.3067 116891.7882 166727.1364 152877.6256 188082.0863 156042.1371 117911.7666 124446.7697 162848.3684 103203.8015 205138.9953 158679.181 167501.4275 136972.6695 177309.2346 161349.2647 203309.6563 98446.21781 160909.2531 157939.3949 186729.6325 125828.891 169813.8493 126567.1298 155359.5379 105956.7874 127299.3153 152734.3916 137856.7975 91844.79873 128567.2668 133601.4606 189373.1037 80607.51723 111656.1085 125526.6017 84451.58814 103322.2056 152222.1016 83819.63669 139612.0683 92024.22729 95686.18991 62872.94204 65487.12553 138683.876 138467.8118 135898.7753 132347.5821 134081.6143 135744.172 144890.4785 133380.417 136563.3363 122.1492543 119.4812451 122.8026042 112.8490753 116.7202012 125.7223772 Cer(d41:1)_M+H2CO2_feature1 88843.23498 81852.93729 65550.88431 65967.08506 70994.94462 63204.59887 43966.42798 69329.23974 51625.09389 66142.26327 59543.8017 67923.11422 71603.55532 84074.91356 78514.93954 53522.12667 55382.13697 62439.98432 44051.46017 91822.72459 58011.55495 64542.88722 61477.98105 61444.47023 59275.95379 99119.51429 61104.5827 82977.42694 73311.13961 92971.44412 53650.85749 75035.39211 56304.96399 54499.0724 47362.84936 70468.33562 59682.48773 56679.02287 44378.90747 50387.17902 63890.95579 89411.97245 49972.88769 66910.47444 59790.29685 45802.72755 54790.74957 83615.43257 48446.90979 88566.00872 53852.86755 54188.68505 47833.22986 46789.89908 64827.88827 62249.89531 68750.94626 61323.57097 62530.77691 62345.39657 61601.16292 64707.55865 67002.6488 112.1391419 120.6137377 109.1356948 110.5025577 116.3684111 112.9383618 Cer(d40:2)_M+H2CO2_feature2 218303.5933 168311.5666 97401.7378 130953.6368 133143.6745 111326.0352 92310.1648 143964.8637 102175.4538 121582.9602 109878.7122 115150.5309 147711.6314 179718.7186 149147.5011 83870.69703 85071.31906 99339.40229 79682.47321 154956.8305 106802.2299 116628.379 128782.304 109734.005 118149.8102 175668.7606 105960.68 163798.7924 135001.1565 197518.3137 100940.1865 179980.4617 101888.2539 108748.9573 97458.81931 136857.2041 125286.2554 123339.7428 84799.18414 97670.94255 135244.92 179105.5586 89133.59604 109734.2262 133137.7282 94756.22194 114541.0732 168790.7113 86169.91058 176193.7052 96504.53638 107112.0316 72765.37655 81023.40455 120590.1249 109806.3809 112439.509 112887.3719 120884.4281 115762.4378 128316.7994 108284.469 110554.5357 113.4593363 144.2101056 110.8433158 120.8924782 161.6920854 173.3751989 Cer(d40:1)_M+H2CO2_feature2 594828.5427 490820.2881 329798.7476 358652.3516 440228.0706 361775.9708 309341.5337 441498.0175 372483.3718 407676.1724 346968.4976 358356.1767 414548.3652 497853.6094 427840.9644 274154.5676 292877.002 349933.9481 295403.8297 465844.6673 333187.7471 372270.1143 363833.1684 372687.9869 367705.4696 554635.6294 303218.0312 486346.5892 410184.4287 526498.3294 323098.0892 535173.9099 356679.8622 398900.4052 316851.7692 375748.1374 404906.2777 404603.1808 295268.9457 341450.1557 382446.0779 541707.2608 276089.0572 383907.1846 383770.9621 298591.583 350225.0997 470647.8566 283014.7264 535858.7311 360230.6425 408972.6822 265638.559 322094.5115 368439.205 347601.4049 359841.1841 353970.7582 368922.8128 381278.2347 390351.8592 333357.1384 349079.5733 289.9477062 277.555886 304.1481129 314.8590605 312.9034693 386.0575255 Cer(d38:1)_M+H2CO2_feature1 235019.082 167409.123 108388.6062 128811.4432 139034.2177 126475.5617 104220.3482 150533.7762 121434.9899 145794.8239 111136.9026 120259.9059 144863.1016 177289.2213 146680.1389 93792.75558 86598.21459 122599.965 94417.66433 162140.8483 117892.0044 129791.339 125340.3387 122746.2773 123876.4702 184814.9784 89382.75966 155842.3843 129149.8121 174964.3867 116944.7795 190034.5152 120870.3431 142031.4467 106946.1589 127247.8906 134892.758 133353.7605 94448.73914 112070.0495 134637.3212 188045.8897 84090.83405 130537.9102 123293.7643 91999.66872 119965.2296 171479.1069 89247.65555 179570.3775 131192.4809 149153.8404 98587.3694 115862.5283 116984.8492 107563.6898 112130.1079 112138.2835 123846.7134 119775.2818 127106.2106 107379.1362 103288.7796 96.5663094 90.23740803 103.8863396 101.3330132 107.5009995 116.0525234 Cer(d34:1)_M+H2CO2_feature1 1011466.557 785087.5925 521884.118 677289.6996 704115.9652 624903.9887 488847.2921 672045.0454 543871.7516 685984.5575 600831.7368 672603.3792 444740.6013 869888.71 803373.0081 517325.2174 521024.7866 612484.8621 487101.1898 787576.8069 583864.9287 633369.3348 613718.834 624975.5331 625143.4184 852914.7692 541866.6846 628165.6689 731052.571 822776.1555 589002.386 815801.1381 595491.4164 617759.7457 532052.2533 654285.4428 654991.699 646645.3533 507612.8439 549508.5913 712229.0879 847900.6401 506811.6414 676806.7774 613305.4267 517203.2767 541223.8297 798337.8535 486357.7947 827869.218 571988.7309 563328.5916 510321.4164 485296.6389 673435.5896 647406.9206 613473.3182 629693.7872 648777.0781 664490.3693 635922.7695 633632.3682 663723.1381 153.8016195 150.5805415 155.7577563 138.5794709 139.3488546 144.7480605 LPC(20:4)>LPC(20:4/0:0)_M+H2CO2_feature2 183029.0292 90596.89267 67565.97057 170334.8267 160394.7033 80173.99345 62439.98151 139033.8303 82511.41847 139615.2695 82117.66505 82320.24267 88988.87194 138733.6156 123763.3926 81040.73026 100355.6983 113411.5384 108090.6333 145561.5812 118237.8513 105515.0089 111717.352 158059.7635 84322.25633 192642.2226 97741.94493 89413.3124 128591.2132 126989.2295 102611.0829 146809.4134 125352.5043 93406.1282 133413.1229 142190.105 88941.59254 130063.7119 103424.1486 105661.6394 83740.18195 120086.1984 65744.90731 114672.9707 129651.6203 84596.74793 101895.2374 164976.4125 89766.70505 171374.912 159319.9517 153229.0352 132003.8998 94508.92665 127705.7256 125676.741 109510.5161 111337.4632 124793.3324 107707.4352 129052.4603 120538.7548 122819.155 282.0948391 320.216433 437.3097344 300.5772012 333.5060007 340.1664514 LPC(18:1)>LPC(18:1/0:0)_M+H2CO2_feature2 162300.3841 158686.445 146708.4459 201797.0619 224697.4589 180321.0179 87358.85072 115231.4189 108941.0782 102615.0323 99693.37455 89612.65431 115984.9378 148815.4813 123335.1472 122255.6929 111872.7218 123830.4722 81661.10412 178307.3217 109609.9826 152465.346 96722.98167 109822.0573 119046.6684 169297.4067 109157.4132 127518.3111 123231.4073 152626.3435 97608.48356 122145.4148 89280.91629 97175.47935 99884.73708 98697.06334 118847.9999 126285.8968 83064.94068 99266.1691 98184.78026 116574.9017 66887.19593 94012.15027 97857.51003 73320.00726 92430.45758 110803.3905 88401.65564 116378.9408 126252.857 107918.9195 111768.3728 134112.9058 115402.3726 117423.6013 115702.5384 118322 111863.0365 115920.8599 117627.7559 120726.5659 112271.2436 160.7545788 183.9063721 160.1665679 156.238281 195.1082009 155.2961131 LPC(18:0)>LPC(18:0/0:0)_M+H2CO2_feature2 2482086.445 2510818.569 1601453.125 2135622.311 2399121.352 1929916.3 1456502.658 1949677.072 1764196.347 1625754.601 2039471.094 2071087.432 1875168.371 2659006.538 2845568.722 1687588.423 1646861.502 2024427.812 1581598.208 2960322.405 1935095.803 2119626.247 1799259.61 1946720.744 1858239.65 2729925.146 1944878.03 2516241.753 2381259.754 2635104.868 1640543.277 2328118.776 1698042.377 1641312.682 1747286.512 1852266.652 2078309.146 2075656.154 1462762.214 1677792.182 2179676.485 2393529.705 1424006.092 1912116.469 2030387.772 2193335.574 2077250.509 2530743.472 1998859.508 2673625.695 1771757.109 1845127.987 1460318.336 1599078.848 2118918.389 2054397.204 1888243.039 2090535.562 1945627.79 2118713.985 2185333.251 1931081.757 2035008.9 112.4965589 471.831984 264.2518861 106.3794345 734.4763159 778.7945171 LPC(17:0)>LPC(17:0/0:0)_and_LPC(0:0/17:0)_M+H2CO2_feature1and2 52275.93423 54920.85064 42421.93004 45844.12303 51256.2622 40551.88579 27261.04694 41417.92792 33452.09591 32666.89541 32642.31307 25689.40427 28419.60801 37743.72189 41285.01406 27096.31452 27314.05148 29554.71714 22238.43517 47311.60146 43769.55855 51518.0319 36153.44237 36302.03718 38072.74148 46538.47381 28486.5861 39241.67675 36355.07865 40844.81278 33619.69869 47556.25537 30231.9442 35069.12724 31159.6501 35553.82304 39900.40535 36119.93287 29406.61131 30648.65553 26464.7542 36248.08901 20676.68155 33340.99027 31640.03681 24087.64398 29052.53475 36016.83998 25717.87328 39317.46983 41269.215 40492.10861 32590.46847 32736.93148 34797.84812 36489.27916 34703.27529 35105.37528 34526.75773 34689.55697 34963.07241 34975.7329 36147.34785 122.8042268 111.9062275 107.3381047 111.2359845 112.507225 107.351444 LPC(16:0)>LPC(16:0/0:0)_M+H2CO2_feature2 1876992.696 1645683.502 1317191.815 1642806.015 1892515.007 1505937.461 1008876.756 1375230.1 1300268.003 1169830.587 1053863.882 1003370.183 1120822.531 1515900.868 1299081.353 1099613.428 1029302.26 1190425.959 847636.2835 1641129.526 1390070.562 1774511.235 1194296.793 1357375.726 1295362.514 1641674.865 991727.2608 1338296.321 1328434.619 1502147.645 1146716.642 1554268.675 1093136.328 1154743.118 1110191.101 1238305.782 1353765.111 1356646.06 924641.3531 1120248.71 1105974.574 1324403.845 706724.863 1049775.111 1069160.372 812679.0806 927747.3986 1226788.881 830314.7404 1201169.181 1311686.274 1251795.626 1160554.092 1151616.891 1215951.242 1299888.09 1206528.996 1203488.177 1196111.001 1211825.828 1208145.427 1304709.685 1216506.636 146.1501921 425.6202549 352.8197817 144.9469612 721.508275 988.6845182 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name formula mz neutral_mass refmet_name rt GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_feature1 C42 H74 D9 N2 O8 P 782.6373534 783.6446 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_[iSTD] 4.38 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_feature1 C39 H68 D7 O10 P 740.5467334 741.554 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[iSTD] 4.38 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_feature1 C38 H67 D7 N O8 P 709.5519934 710.5593 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[iSTD] 4.97 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(0:0/18:1(9z,d7))_feature1 C23 H39 D7 N O7 P 485.3373934 486.3447 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(0:0/18:1(9z,d7))_[iSTD] 2.28 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_M+H2CO2_feature1 C42 H75 D7 N O10 P 797.6045134 798.6118 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[iSTD] 4.73 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_ and_PC(0:0/18:1(9z,d7))_M+H2CO2_feature1 C27 H47 D7 N O9 P 573.3900634 574.3973 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_ and_PC(0:0/18:1(9z,d7))_[iSTD] 2.23 SM(d44:2)_M+H2CO2_feature1 C50 H99 N2 O8 P 885.7075334 886.7148 SM(d44:2)_ln_a 7.02 SM(d44:1)_M+H2CO2_feature1 C50 H101 N2 O8 P 887.7233734 888.7307 SM(d44:1) 7.32 SM(d43:1)_M+H2CO2_feature2 C49 H99 N2 O8 P 873.7073134 874.7146 SM(d43:1)_ln_b 7.19 SM(d42:3)_M+H2CO2_feature1 C48 H93 N2 O8 P 855.6606434 856.6679 SM(d42:3)_ln_a 6.14 SM(d42:2)_M+H2CO2_feature1 C48 H95 N2 O8 P 857.6773334 858.6846 SM(d42:2)_ln_a 6.84 SM(d42:2)_M+H2CO2_feature2 C48 H95 N2 O8 P 857.6773034 858.6846 SM(d42:2)_ln_b 6.72 SM(d42:1)_M+H2CO2_feature2 C48 H97 N2 O8 P 859.6932134 860.7005 SM(d42:1)_ln_b 7.06 SM(d41:2)_M+H2CO2_feature2and3 C47 H93 N2 O8 P 843.6604634 844.6677 SM(d41:2)_ln_bc 6.63 SM(d40:2)_M+H2CO2_feature2 C46 H91 N2 O8 P 829.6455934 830.6529 SM(d40:2)_ln_b 6.25 SM(d40:2)_M+H2CO2_feature1 C46 H91 N2 O8 P 829.6455934 830.6529 SM(d40:2)_ln_a 6.01 SM(d40:1)_M+H2CO2_feature2 C46 H93 N2 O8 P 831.6618634 832.6691 SM(d40:1)_ln_b 6.77 SM(d40:0-OH)_M+H2CO2_feature1 C46 H95 N2 O9 P 849.6626934 850.67 SM(d40:0-OH) 7.06 SM(d38:1)_M+H2CO2_feature2 C44 H89 N2 O8 P 803.6294734 804.6368 SM(d38:1)_ln_b 6.06 SM(d36:2)_M+H2CO2_feature1 C42 H83 N2 O8 P 773.5812134 774.5885 SM(d36:2) 4.44 SM(d36:1)_M+H2CO2_feature1 C42 H85 N2 O8 P 775.5972734 776.6046 SM(d36:1) 5.13 SM(d36:0)_M+H2CO2_feature1 C42 H87 N2 O8 P 777.6131234 778.6204 SM(d36:0) 5.46 SM(d34:1)_M+H2CO2_feature1 C40 H81 N2 O8 P 747.5670734 748.5744 SM(d34:1) 4.31 SM(d34:0)_M+H2CO2_feature1 C40 H83 N2 O8 P 749.5817734 750.5891 SM(d34:0) 4.6 PS(O-42:7)>PS(O-20:3/22:4)_feature1 C48 H82 N O9 P 846.5635034 847.5708 PS(O-20:3/22:4) 6.55 PS(O-40:7)>PS(O-20:3/20:4)_feature2 C46 H78 N O9 P 818.5317434 819.539 PS(O-20:3/20:4) 5.98 PS(O-40:7)>PS(O-18:3/22:4)_feature1 C46 H78 N O9 P 818.5317434 819.539 PS(O-18:3/22:4) 5.68 PS(40:6)>PS(18:0_22:6)_feature2 C46 H78 N O10 P 834.5650234 835.5723 PS(18:0_22:6)_ln_b 4.58 PS(40:6)>PS(18:0_22:6)_feature3 C46 H78 N O10 P 834.5292234 835.5365 PS(18:0_22:6)_ln_c 4.62 PS(40:5)>PS(18:0_22:5)_feature2 C46 H80 N O10 P 836.5449134 837.5522 PS(18:0_22:5)_ln_b 4.85 PS(40:5)>PS(18:0_22:5)_feature5 C46 H80 N O10 P 836.5449334 837.5522 PS(18:0_22:5)_ln_e 5.14 PS(40:4)>PS(18:0_22:4)_feature1 C46 H82 N O10 P 838.5611334 839.5684 PS(18:0_22:4) 5.39 PS(38:5)>PS(18:1/20:4)_feature1 C44 H76 N O10 P 808.5134734 809.5208 PS(18:1/20:4) 4.12 PS(38:4)>PS(18:0_20:4)_feature2 C44 H78 N O10 P 810.5300534 811.5373 PS(18:0_20:4)_ln_b 4.82 PS(38:4)>PS(18:0_20:4)_feature5 C44 H78 N O10 P 810.5268334 811.5341 PS(18:0_20:4)_ln_e 5.6 PS(38:3)>PS(18:0_20:3)_feature3 C44 H80 N O10 P 812.5440234 813.5513 PS(38:3)_ln_c 5.15 PS(38:2)>PS(20:1_18:1)_feature1 C44 H82 N O10 P 814.5600734 815.5674 PS(38:2) 5.57 PS(36:2)>PS(18:0_18:2)_feature4 C42 H78 N O10 P 786.5299134 787.5372 PS(18:0_18:2)_ln_d 4.93 PS(36:1)>PS(18:0_18:1)_feature1 C42 H80 N O10 P 788.5458034 789.5531 PS(18:0_18:1) 5.58 PS(34:0)>PS(16:0_18:0) M - H + Na_feature1 C40 H77 N Na O10 P 784.5112034 785.5185 PS(16:0_18:0) 5.45 PI(40:4)>PI(18:0_22:4)_feature1 C49 H87 O13 P 913.5809134 914.5882 PI(18:0_22:4) 5.27 PI(38:6)>PI(16:0_22:6)_feature1 C47 H79 O13 P 881.5186434 882.5259 PI(16:0_22:6) 3.84 PI(38:5)>PI(18:1_20:4)_feature1 C47 H81 O13 P 883.5347534 884.542 PI(18:1_20:4)_ln_a 4.04 PI(38:4)>PI(18:0_20:4)_feature2 C47 H83 O13 P 885.5504234 886.5577 PI(18:0_20:4)_ln_b 4.72 PI(36:4)>PI(16:0_20:4)_feature1 C45 H79 O13 P 857.5189434 858.5262 PI(16:0_20:4) 3.99 PI(36:3)>PI(18:1_18:2)_feature1 C45 H81 O13 P 859.5341434 860.5414 PI(18:1_18:2)_ln_a 4.13 PI(36:2)>PI(18:1_18:1)_feature1 C45 H83 O13 P 861.5495634 862.5568 PI(36:2)_ln_a 4.68 PI(36:2)>PI(18:0_18:2)_feature2 C45 H83 O13 P 861.5496834 862.557 PI(18:0_18:2)_ln_b 4.82 PI(36:1)>PI(18:0_18:1)_feature1 C45 H85 O13 P 863.5655034 864.5728 PI(18:0_18:1) 5.46 PI(34:2)>PI(16:0_18:2)_feature1 C43 H79 O13 P 833.5187634 834.526 PI(16:0_18:2) 4.08 PG(44:12)>PG(22:6/22:6)_feature1 C50 H75 O10 P 865.5030134 866.5103 PG(22:6/22:6) 3.12 PG(40:8)>PG(18:2_22:6)_feature1 C46 H75 O10 P 817.5031734 818.5105 PG(40:8)_ln_a 3.27 PG(40:7)>PG(18:1_22:6)_feature1 C46 H77 O10 P 819.5186934 820.526 PG(18:1_22:6)_ln_a 3.61 PG(40:6)>PG(18:0_22:6)_feature2 C46 H79 O10 P 821.5334234 822.5407 PG(18:0_22:6)_ln_b 4.7 PG(38:6)>PG(18:2_20:4)_feature1 C44 H75 O10 P 793.5030834 794.5104 PG(18:2_20:4)_ln_a 3.36 PG(38:5)>PG(18:1_20:4)_M+NH3_feature2 C44 H77 O10 P 795.5187034 796.526 PG(18:1_20:4)_ln_b 4.16 PG(38:5)>PG(18:1_20:4)_feature1 C44 H77 O10 P 795.5186934 796.526 PG(18:1_20:4)_ln_a 3.74 PG(38:4)>PG(18:0_20:4)_feature3 C44 H79 O10 P 797.5343134 798.5416 PG(18:0_20:4)_ln_c 4.88 PG(38:4)>PG(16:0_22:4)_feature2 C44 H79 O10 P 797.5343134 798.5416 PG(16:0_22:4)_ln_b 4.61 PG(36:5)>PG(16:0_20:5)_feature2 C42 H73 O10 P 767.4869934 768.4943 PG(16:0_20:5)_ln_b 3.74 PG(36:4)>PG(18:2_18:2)_feature1 C42 H75 O10 P 769.5032734 770.5106 PG(18:2_18:2)_ln_a 3.42 PG(36:4)>PG(18:2_18:2)_feature2 C42 H75 O10 P 769.5032834 770.5106 PG(18:2_18:2)_ln_b 3.79 PG(36:4)>PG(16:0_20:4)_feature3 C42 H75 O10 P 769.5032834 770.5106 PG(16:0_20:4)_ln_c 4.12 PG(36:2)>PG(18:0_18:2)_feature1 C42 H79 O10 P 773.5339134 774.5412 PG(36:2)_ln_a 4.5 PG(36:2)>PG(18:0_18:2)_feature2 C42 H79 O10 P 773.5339234 774.5412 PG(36:2)_ln_b 5.01 PG(34:2)>PG(16:0_18:2)_feature1 C40 H75 O10 P 745.5038234 746.5111 PG(16:0_18:2) 4.23 PG(34:1)>PG(16:0_18:1)_feature1 C40 H77 O10 P 747.5190834 748.5264 PG(16:0_18:1) 4.75 PG(32:0)>PG(16:0/16:0)_feature1 C38 H75 O10 P 721.5033534 722.5106 PG(16:0/16:0) 4.72 PE(O-42:6)>PE(O-18:1/24:5)_feature2 C47 H84 N O7 P 804.5915434 805.5988 PE(O-42:6)_ln_b 6.71 PE(O-42:5)>PE(O-20:1/22:4)_feature2 C47 H86 N O7 P 806.6076634 807.6149 PE(O-20:1/22:4)_ln_b 6.87 PE(O-40:8)>PE(O-22:8/18:0)_and_PE(O-18:2/22:6)_feature2 C45 H76 N O7 P 772.5292534 773.5365 PE(O-40:8)_ln_b 4.88 PE(O-40:7)>PE(O-18:1/22:6)_and_PE(O-22:7/18:0)_feature10 C45 H78 N O7 P 774.5450734 775.5524 PE(O-40:7)_ln_j 5.73 PE(O-40:6)>PE(O-18:2/22:4)_feature2 C45 H80 N O7 P 776.5526834 777.56 PE(O-40:6)_ln_b 5.64 PE(O-40:6)>PE(O-18:1/22:5)_feature5 C45 H80 N O7 P 776.5602934 777.5676 PE(O-18:1/22:5)_ln_e 6.31 PE(O-40:6)>PE(O-18:1/22:5)_feature3 C45 H80 N O7 P 776.5602834 777.5676 PE(O-18:1/22:5)_ln_c 6.02 PE(O-40:5)>PE(O-18:1/22:4)_feature4 C45 H82 N O7 P 778.5772934 779.5846 PE(O-18:1/22:4)_ln_d 6.55 PE(O-40:4)>PE(O-18:0/22:4)_feature4 C45 H84 N O7 P 780.5921234 781.5994 PE(O-18:0/22:4)_ln_d 6.64 PE(O-39:5)>PE(O-16:1_20:4)_feature4 C44 H80 N O7 P 764.5602234 765.5675 PE(O-16:1_20:4)_ln_d 6.43 PE(O-39:5)_feature3 C44 H80 N O7 P 764.5604534 765.5677 PE(O-39:5)_ln_c 6.25 PE(O-39:5)_feature1 C44 H80 N O7 P 764.5602534 765.5675 PE(O-39:5)_ln_a 5.97 PE(O-39:5)_feature2 C44 H80 N O7 P 764.5601834 765.5675 PE(O-39:5)_ln_b 6.14 PE(O-38:7)>PE(O-18:3/20:4)_feature1 C43 H74 N O7 P 746.5140534 747.5213 PE(O-38:7)_ln_a 4.49 PE(O-38:7)>PE(O-16:1/22:6)_and_PE(O-20:7/18:0)_feature2 C43 H74 N O7 P 746.5140634 747.5213 PE(O-38:7)_ln_b 4.84 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature2 C43 H76 N O7 P 748.5290034 749.5363 PE(O-38:6)_ln_b 5.12 PE(O-38:6)>PE(O-16:1/22:5)_feature3 C43 H76 N O7 P 748.5290034 749.5363 PE(O-16:1/22:5)_ln_c 5.4 PE(O-38:5)>PE(O-18:1/20:4)_feature6 C43 H78 N O7 P 750.5455234 751.5528 PE(O-18:1/20:4)_ln_f 5.98 PE(O-38:5)>PE(O-18:1/20:4)_feature3 C43 H78 N O7 P 750.5443834 751.5517 PE(O-18:1/20:4)_ln_c 5.24 PE(O-38:5)>PE(O-16:1/22:4)_feature5 C43 H78 N O7 P 750.5455334 751.5528 PE(O-16:1/22:4)_ln_e 5.68 PE(O-38:4)_feature5 C43 H80 N O7 P 752.5600934 753.5674 PE(O-38:4)_ln_e 6.36 PE(O-38:4)>PE(O-16:0/22:4)_feature3 C43 H80 N O7 P 752.5604834 753.5678 PE(O-16:0/22:4)_ln_c 5.83 PE(O-38:3)>PE(O-18:2/20:1)_feature2 C43 H82 N O7 P 754.5759134 755.5832 PE(O-18:2/20:1)_ln_b 6.68 PE(O-38:2)>PE(O-18:1/20:1)_feature4 C43 H84 N O7 P 756.5920934 757.5994 PE(O-38:2)_ln_d 6.99 PE(O-36:5)>PE(O-16:1/20:4)_feature3 C41 H74 N O7 P 722.5138034 723.5211 PE(O-16:1/20:4)_ln_c 5.07 PE(O-36:2)>PE(O-18:1/18:1)_feature2 C41 H80 N O7 P 728.5613634 729.5686 PE(O-18:1/18:1)_ln_b 6.69 PE(O-36:4)>PE(O-16:1/20:3)_feature2 C41 H76 N O7 P 724.5287034 725.536 PE(O-36:4)_ln_b 5.44 PE(O-36:4)>PE(O-16:1/20:3)_feature3 C41 H76 N O7 P 724.5287134 725.536 PE(O-36:4)_ln_c 5.72 PE(O-36:4)>PE(O-18:2/18:2)_feature1 C41 H76 N O7 P 724.5286834 725.536 PE(O-36:4)_ln_a 5.27 PE(O-36:3)>PE(O-18:2/18:1)_feature3 C41 H82 N O7 P 726.5447334 727.552 PE(O-18:2/18:1)_ln_c 5.97 PE(O-36:3)>PE(O-18:1/18:2)_feature6 C41 H78 N O7 P 726.5447434 727.552 PE(O-18:1/18:2)_ln_f 6.15 PE(O-35:2)>PE(O-16:1/19:1)_and_PE(O-17:1/18:1)_feature2 C40 H78 N O7 P 714.5446234 715.5519 PE(O-35:2)_ln_b 6.21 PE(O-35:2)>PE(O-16:1/19:1)_and_PE(O-35:2)>PE(O-17:1/18:1)_feature3 C40 H78 N O7 P 714.5445834 715.5519 PE(O-35:2)_ln_c 6.37 PE(O-34:5)>PE(O-17:1/20:4)_feature2 C42 H76 N O7 P 736.5290934 737.5364 PE(O-34:5)_ln_b 5.51 PE(O-34:5)>PE(O-17:1/20:4)_feature1 C42 H76 N O7 P 736.5290934 737.5364 PE(O-34:5)_ln_a 5.35 PE(O-34:3)>PE(O-16:1/18:2)_feature1 C39 H74 N O7 P 698.5129534 699.5202 PE(O-34:3) 5.22 PE(O-34:2)>PE(O-16:2/18:0)_and_PE(O-18:2/16:0)_feature1 C39 H76 N O7 P 700.5298034 701.5371 PE(O-34:2)_ln_a 5.92 PE(O-34:1)>PE(O-18:1/16:0)_feature2 C39 H78 N O7 P 702.5447834 703.5521 PE(O-18:1/16:0)_ln_b 6.66 PE(O-32:2)>PE(O-16:1/16:1)_feature1 C37 H72 N O7 P 672.4969534 673.5042 PE(O-16:1/16:1) 5.05 PE(O-32:1)>PE(O-16:1/16:0)_feature1 C37 H74 N O7 P 674.5131934 675.5205 PE(O-16:1/16:0) 5.86 PE(42:5)>PE(22:1_20:4)_feature1 C47 H84 N O8 P 820.5866634 821.5939 PE(22:1_20:4) 6.38 PE(42:4)>PE(20:4_22:0)_feature1 C47 H86 N O8 P 822.6026734 823.61 PE(20:4_22:0) 6.9 PE(40:6)>PE(18:0_22:6)_feature2 C45 H78 N O8 P 790.5398534 791.5471 PE(18:0_22:6)_ln_b 5.3 PE(40:5)>PE(18:0_22:5)_feature4 C45 H80 N O8 P 792.5551334 793.5624 PE(18:0_22:5)_ln_d 5.88 PE(40:4)>PE(18:0_22:4)_feature4 C45 H82 N O8 P 794.5720134 795.5793 PE(18:0_22:4)_ln_d 6.44 PE(40:4)>PE(18:0_22:4)_feature2 C45 H82 N O8 P 794.5720134 795.5793 PE(18:0_22:4)_ln_b 6.14 PE(40:2)>PE(18:1_22:1)_feature1 C45 H86 N O8 P 798.6022734 799.6096 PE(18:1_22:1) 6.84 PE(40:1)>PE(18:1_22:0)_feature1 C45 H88 N O8 P 800.6180034 801.6253 PE(18:1_22:0) 7.12 PE(38:6)>PE(18:2_20:4)_feature2 C43 H74 N O8 P 762.5081534 763.5154 PE(18:2_20:4)_ln_b 4.14 PE(38:6)>PE(16:0_22:6)_feature3 C43 H74 N O8 P 762.5081534 763.5154 PE(16:0_22:6)_ln_c 4.46 PE(38:5)>PE(16:0_22:5)_and_PE(18:1_20:4)_feature3 C43 H76 N O8 P 764.5238134 765.5311 PE(38:5)_ln_c 4.72 PE(38:5)>PE(16:0_22:5)_and_PE(18:1_20:4)_feature5 C43 H76 N O8 P 764.5238134 765.5311 PE(38:5)_ln_f 4.98 PE(38:4)>PE(18:0_20:4)_feature5 C43 H78 N O8 P 766.5405734 767.5479 PE(18:0_20:4)_ln_e 5.53 PE(38:4)>PE(16:0_22:4)_feature4 C43 H78 N O8 P 766.5405734 767.5479 PE(16:0_22:4)_ln_d 5.23 PE(38:3)>PE(18:0_20:3)_feature3 C43 H80 N O8 P 768.5550434 769.5623 PE(18:0_20:3)_ln_c 5.9 PE(38:1)>PE(18:1_20:0)_and_PE(18:0_20:1)_feature2 C43 H84 N O8 P 772.5865834 773.5939 PE(38:1)_ln_b 6.86 PE(37:4)>PE(17:0_20:4)_feature2 C42 H76 N O8 P 752.5231734 753.5305 PE(17:0_20:4)_ln_b 5.09 PE(36:5)>PE(16:0_20:5)_M+H2CO2_feature3 C41 H72 N O8 P 736.4925634 737.4998 PE(16:0_20:5)_ln_c 4.19 PE(36:4)>(16:0_20:4)_feature3 C41 H74 N O8 P 738.5091834 739.5165 PE(16:0_20:4)_ln_c 4.66 PE(36:3)>PE(18:1_18:2)_feature1 C41 H76 N O8 P 740.5241134 741.5314 PE(18:1_18:2)_ln_a 4.85 PE(36:2)>PE(18:1/18:1)_feature2 C41 H78 N O8 P 742.5399634 743.5472 PE(18:1/18:1)_ln_b 5.5 PE(36:2)>PE(18:0_18:2)_feature2 C41 H78 N O8 P 742.5399634 743.5472 PE(18:0_18:2)_ln_b 5.68 PE(36:1)>PE(18:0_18:1)_feature3 C41 H80 N O8 P 744.5565134 745.5638 PE(18:0_18:1)_ln_c 6.35 PE(36:1)>PE(18:0_18:1)_feature1 C41 H80 N O8 P 744.5546134 745.5619 PE(18:0_18:1)_ln_a 5.18 PE(34:3)>PE(16:1_18:2)_feature1 C39 H72 N O8 P 712.4922734 713.4996 PE(34:3)_ln_a 4.12 PE(34:2)>PE(16:0_18:2)_feature2 C39 H74 N O8 P 714.5082334 715.5155 PE(16:0_18:2)_ln_b 4.79 PE(34:1)>PE(16:0_18:1)_feature1 C39 H76 N O8 P 716.5243034 717.5316 PE(16:0_18:1)_ln_a 5.44 PE(34:0)>PE(16:0_18:0)_feature1 C39 H78 N O8 P 718.5388234 719.5461 PE(34:0)_ln_a 5.1 PE(32:1)>PE(16:0_16:1)_feature1 C37 H72 N O8 P 688.4921734 689.4995 PE(16:0_16:1) 4.63 PC(O-38:5)>PC(O-18:1/20:4)_M+H2CO2_feature1 C47 H86 N O9 P 838.5973434 839.6046 PC(O-38:6)_ln_a 4.96 PC(O-36:5)>PC(O-16:1/20:4)_M+H2CO2_feature5 C45 H82 N O9 P 810.5658134 811.5731 PC(O-36:5)_ln_e 4.79 PC(O-36:4)>PC(O-16:0/20:4) M+ H2CO2_feature4 C45 H84 N O9 P 812.5820634 813.5893 PC(O-16:0/20:4)_ln_d 4.94 PC(O-34:1)>PC(O-18:1/16:0)_and_PC(O-34:1)>PC(O-16:0/18:1) _M+H2CO2_feature4 C43 H86 N O9 P 790.5973634 791.6046 PC(O-34:1)_ln_d 6.45 PC(O-34:1)>PC(O-18:1/16:0)_M+H2CO2_feature2 C43 H86 N O9 P 790.5968834 791.6042 PC(O-18:1/16:0)_ln_b 5.71 PC(O-32:1)>PC(O-16:0/16:1)_M+H2CO2_feature2 C41 H82 N O9 P 762.5660734 763.5734 PC(O-32:1)_ln_b 5.55 PC(O-32:0)>PC(O-16:0/16:0)_M+H2CO2_feature1 C41 H84 N O9 P 764.5811534 765.5884 PC(O-16:0/16:0) 5.68 PC(42:10)>PC(20:4_22:6) _M+H2CO2_feature1 C51 H82 N O10 P 898.5607634 899.568 PC(20:4_22:6) 3.69 PC(42:1)>PC(18:1_24:0)_M+H2CO2_feature2 C51 H100 N O10 P 916.7022534 917.7095 PC(42:1)_ln_b 7.3 PC(40:8)>PC(20:4_20:4) _M+H2CO2_feature1 C49 H82 N O10 P 874.5607634 875.568 PC(40:8) 3.84 PC(40:5)>PC(18:0_22:5)_M+H2CO2_feature3 C49 H88 N O10 P 880.6072534 881.6145 PC(18:0_22:5)_ln_c 5.3 PC(40:4)>PC(18:0_22:4)_M+H2CO2_feature2 C49 H90 N O10 P 882.6238334 883.6311 PC(18:0_22:4)_ln_b 5.88 PC(40:2)>PC(18:1_22:1)_M+H2CO2_feature1 C49 H94 N O10 P 886.6544934 887.6618 PC(40:2)_ln_a 6.74 PC(40:1)>PC(18:1_22:0) _M+H2CO2_feature1 C49 H96 N O10 P 888.6702134 889.6775 PC(18:1_22:0) 7.04 PC(38:6)>PC(18:2_20:4)_M+H2CO2_feature1 C47 H82 N O10 P 850.5612034 851.5685 PC(18:2_20:4)_ln_a 3.96 PC(38:6)>PC(16:0_22:6)_and_PC(18:0_20:6)_M+H2CO2_feature2 C47 H82 N O10 P 850.5612034 851.5685 PC(38:6)_ln_b 4.26 PC(38:5)>PC(16:0_22:5)_and_PC(18:1_20:4)_M+H2CO2_feature3 C47 H84 N O10 P 852.5763734 853.5837 PC(38:5)_ln_c 4.49 PC(38:5)>PC(16:0_22:5)_M+H2CO2_feature5 C47 H84 N O10 P 852.5763734 853.5837 PC(16:0_22:5)_ln_e 4.74 PC(38:4)>PC(18:0_20:4)_M+H2CO2_feature4 C47 H86 N O10 P 854.5933034 855.6006 PC(18:0_20:4)_ln_d 5.27 PC(38:4)>PC(16:0_22:4)_M+H2CO2_feature3 C47 H86 N O10 P 854.5933034 855.6006 PC(16:0_22:4)_ln_c 4.98 PC(38:3)>PC(18:0_20:3)_M+H2CO2_feature3 C47 H88 N O10 P 856.6075034 857.6148 PC(18:0_20:3)_ln_c 5.63 PC(38:2)>PC(18:1_20:1)_M+H2CO2_feature2 C47 H90 N O10 P 858.6231634 859.6304 PC(38:2)_ln_b 6.07 PC(38:2)>PC(18:0_20:2)_M+H2CO2_feature4 C47 H90 N O10 P 858.6233334 859.6306 PC(18:0_20:2)_ln_d 6.19 PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature3 C46 H84 N O10 P 840.5758634 841.5831 PC(17:0_20:4)_ln_c 4.84 PC(36:5)>PC(16:1_20:4)_M+H2CO2_feature2 C45 H80 N O10 P 824.5454434 825.5527 PC(16:1_20:4)_ln_b 3.88 PC(36:5)>PC(16:0_20:5)_M+H2CO2_feature3 C45 H80 N O10 P 824.5455334 825.5528 PC(16:0_20:5)_ln_c 4.01 PC(36:4)>PC(18:2/18:2)_M+H2CO2_feature2 C45 H82 N O10 P 826.5616734 827.569 PC(18:2/18:2)_ln_b 4.07 PC(36:4)>PC(16:0_20:4)_M+H2CO2_feature3 C45 H82 N O10 P 826.5616734 827.569 PC(16:0_20:4)_ln_c 4.44 PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature2 C45 H84 N O10 P 828.5768934 829.5842 PC(18:1_18:2)_ln_b 4.61 PC(36:2)>PC(18:0_18:2)_M+H2CO2_feature3 C45 H86 N O10 P 830.5936234 831.6009 PC(18:0_18:2)_ln_c 5.41 PC(36:1)>PC(16:0_20:1)_and_PC(18:0_18:1)_M+H2CO2_feature1 C45 H88 N O10 P 832.6091134 833.6164 PC(36:1)_ln_a 6.09 PC(36:0)>PC(18:0/18:0)_M+H2CO2_feature3 C45 H90 N O10 P 834.6234634 835.6307 PC(18:0/18:0)_ln_c 6.73 PC(35:2)>PC(17:0_18:2)_M+H2CO2_feature2 C44 H84 N O10 P 816.5764134 817.5837 PC(17:0_18:2)_ln_b 4.96 PC(34:4)>PC(14:0_20:4)_M+H2CO2_feature3 C43 H78 N O10 P 798.5294434 799.5367 PC(14:0_20:4)_ln_c 3.78 PC(34:4)>PC(14:0_20:4)_M+H2CO2_feature2 C43 H78 N O10 P 798.5294734 799.5368 PC(14:0_20:4)_ln_b 3.62 PC(34:3)>PC(16:1_18:2)_M+H2CO2_feature2 C43 H80 N O10 P 800.5454234 801.5527 PC(16:1_18:2)_ln_b 3.98 PC(34:3)>PC(16:0_18:3)_M+H2CO2_feature3 C43 H80 N O10 P 800.5454134 801.5527 PC(16:0_18:3)_ln_c 4.19 PC(34:2)>PC(16:0_18:2)_M+H2CO2_feature1 C43 H82 N O10 P 802.5620334 803.5693 PC(16:0_18:2)_ln_a 4.55 PC(34:1)>PC(16:0_18:1)_M+H2CO2_feature2 C43 H84 N O10 P 804.5774334 805.5847 PC(16:0_18:1)_ln_b 5.18 PC(34:0)>PC(16:0_18:0) M+ H2CO2_feature4 C43 H86 N O10 P 806.5924134 807.5997 PC(16:0/18:0)_ln_c 6.01 PC(32:2)>PC(14:0_18:2)_M+H2CO2_feature1 C41 H78 N O10 P 774.5299734 775.5373 PC(14:0_18:2)_ln_a 3.9 PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1)_M+H2CO2_feature2 C41 H80 N O10 P 776.5458634 777.5531 PC(32:1)_ln_b 4.45 PC(32:0)>PC(16:0_16:0)_M+H2CO2_feature2 C41 H82 N O10 P 778.5614634 779.5687 PC(32:0)_ln_b 5.1 PC(30:0)>PC(14:0_16:0)_M+H2CO2_feature1 C39 H78 N O10 P 750.5298234 751.5371 PC(30:0)_ln_a 4.31 LPE(O-18:0)_feature1 C23 H48 N O6 P 464.3140434 465.3213 LPE(O-18:0) 2.66 LPE(O-15:0)_feature1 C20 H44 N O6 P 424.2847234 425.292 LPE(O-15:0) 2.27 LPE(20:0)>LPE(20:0/0:0)_feature2 C25 H52 N O7 P 508.3401334 509.3474 LPE(20:0/0:0)_ln_b 2.49 LPE(18:0)>LPE(18:0/0:0)_feature2 C23 H48 N O7 P 480.3090634 481.3163 LPE(18:0/0:0)_ln_b 2.53 LPE(16:0)>LPE(16:0/0:0)_feature2 C21 H44 N O7 P 452.2778334 453.2851 LPE(16:0/0:0)_ln_b 2.22 LPC(18:2)>LPC(18:2/0:0)_and_LPC(0:0/18:2)_M+H2CO2_feature1and2 C27 H52 N O9 P 564.3304434 565.3377 LPC(18:2)_ln_ab 1.96 HexCer(d42:2)_M+H2CO2_feature3 C49 H93 N O10 854.6732534 855.6805 HexCer(d42:2)_ln_c 6.83 HexCer(d42:1)_M+H2CO2_feature2 C49 H95 N O10 856.6891934 857.6965 HexCer(d42:1)_ln_b 7.13 HexCer(d40:1)_M+H2CO2_feature2 C47 H91 N O10 828.6578434 829.6651 HexCer(d40:1)_ln_b 6.87 Ganglioside GM3(d42:1)_feature1 C65 H120 N2 O21 1263.830153 1264.8374 Ganglioside GM3(d42:1) 6.75 CL(72:8)_M-2H_feature1 C81 H142 O17 P2 1447.965183 1448.9725 CL(72:8) 7.54 Cholesterol sulfate_feature1 C27 H46 O4 S 465.3038634 466.3111 Cholesterol sulfate 2.86 Cer(d44:1)_M+H2CO2_feature1 C45 H89 N O5 722.6674534 723.6747 Cer(d44:1) 7.74 Cer(d42:2)_M+H2CO2_feature3 C42 H81 N O3 646.6150634 647.6223 Cer(d42:2)_ln_c 7.09 Cer(d42:2)_M+H2CO2_feature4 C43 H83 N O5 692.6205134 693.6278 Cer(d42:2)_ln_d 7.18 Cer(d42:1)_M+H2CO2_feature3 C43 H85 N O5 694.6366334 695.6439 Cer(d42:1)_ln_c 7.19 Cer(d42:1)_M+H2CO2_feature2 C42 H83 N O3 648.6310534 649.6383 Cer(d42:1)_ln_b 7.42 Cer(d42:0-OH)_M+H2CO2_feature1 C43 H87 N O6 712.6467334 713.654 Cer(d42:0(OH)) 7.26 Cer(d42:0)_M+H2CO2_feature1 C43 H87 N O5 696.6518534 697.6591 Cer(d42:0) 7.53 Cer(d41:1)_M+H2CO2_feature1 C42 H83 N O5 680.6204434 681.6277 Cer(d41:1) 7.27 Cer(d40:2)_M+H2CO2_feature2 C41 H79 N O5 664.5890934 665.5964 Cer(d40:2)_ln_b 6.89 Cer(d40:1)_M+H2CO2_feature2 C40 H79 N O3 620.5994334 621.6067 Cer(d40:1)_ln_b 7.12 Cer(d38:1)_M+H2CO2_feature1 C39 H77 N O5 638.5731234 639.5804 Cer(d38:1) 6.83 Cer(d34:1)_M+H2CO2_feature1 C35 H69 N O5 582.5100734 583.5174 Cer(d34:1) 5.24 LPC(20:4)>LPC(20:4/0:0)_M+H2CO2_feature2 C29 H52 N O9 P 588.3304834 589.3378 LPC(20:4/0:0)_ln_b 1.9 LPC(18:1)>LPC(18:1/0:0)_M+H2CO2_feature2 C27 H54 N O9 P 566.3461334 567.3534 LPC(18:1/0:0)_ln_b 2.24 LPC(18:0)>LPC(18:0/0:0)_M+H2CO2_feature2 C27 H56 N O9 P 568.3622334 569.3695 LPC(18:0/0:0)_ln_b 2.49 LPC(17:0)>LPC(17:0/0:0)_and_LPC(0:0/17:0)_M+H2CO2_feature1and2 C26 H54 N O9 P 554.3459634 555.3532 LPC(17:0/0:0)_ln_ab 2.35 LPC(16:0)>LPC(16:0/0:0)_M+H2CO2_feature2 C25 H52 N O9 P 540.3307834 541.3381 LPC(16:0/0:0)_ln_b 2.17 METABOLITES_END #END