#METABOLOMICS WORKBENCH efahy_20230425_000073 DATATRACK_ID:3970 STUDY_ID:ST002651 ANALYSIS_ID:AN004323 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 Heart 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_Heart 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raw_file=90222015808.raw SUBJECT_SAMPLE_FACTORS D350D633-8D95-4783-99F2-BB8294D2EC32 90423015808 Group:Training | Timepoint:1 week of training or control time | Sex:Male raw_file=90423015808.raw SUBJECT_SAMPLE_FACTORS 68083256-8DAA-4185-B446-0CAF600474B5 90567015808 Group:Training | Timepoint:1 week of training or control time | Sex:Female raw_file=90567015808.raw SUBJECT_SAMPLE_FACTORS EA5C8932-9325-4DA5-96BB-50CD49CEDD10 90560015808 Group:Training | Timepoint:1 week of training or control time | Sex:Female raw_file=90560015808.raw SUBJECT_SAMPLE_FACTORS CDCFA3F1-07ED-4737-A36D-15EFEC325AA5 90450015808 Group:Training | Timepoint:2 weeks of training | Sex:Male raw_file=90450015808.raw SUBJECT_SAMPLE_FACTORS AEB1611A-F29E-43F8-B9F3-A2BC4F9EB504 90444015808 Group:Training | Timepoint:2 weeks of training | Sex:Male raw_file=90444015808.raw SUBJECT_SAMPLE_FACTORS FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6 90420015808 Group:Training | Timepoint:4 weeks of training | Sex:Female raw_file=90420015808.raw SUBJECT_SAMPLE_FACTORS - QC07 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC07.raw SUBJECT_SAMPLE_FACTORS - SED_Reference_Heart02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=SED_Reference_Heart02.raw SUBJECT_SAMPLE_FACTORS - IPE_Reference_Heart02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=IPE_Reference_Heart02.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 - QC08 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC08.raw #COLLECTION CO:SAMPLE_TYPE Heart #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 ESI MS:ION_MODE NEGATIVE MS:MS_RESULTS_FILE ST002651_AN004323_results.txt UNITS:peak area Has m/z:Yes Has RT:Yes RT units:Minutes #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples 90217015808 90218015808 90222015808 90223015808 90225015808 90227015808 90229015808 90232015808 90237015808 90239015808 90245015808 90248015808 90251015808 90252015808 90254015808 90258015808 90259015808 90265015808 90266015808 90267015808 90280015808 90281015808 90283015808 90289015808 90292015808 90406015808 90410015808 90412015808 90416015808 90420015808 90421015808 90422015808 90423015808 90426015808 90430015808 90439015808 90441015808 90444015808 90449015808 90450015808 90559015808 90560015808 90564015808 90567015808 90571015808 90576015808 90578015808 90581015808 90585015808 90587015808 IPE_Reference_Heart IPE_Reference_Heart02 SED_Reference_Heart SED_Reference_Heart02 QC01 QC02 QC03 QC04 QC05 QC06 QC07 QC08 SampleBlank01 SampleBlank02 SampleBlank03 SampleBlank04 SampleBlank05 SampleBlank06 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_[istd]_M+H2CO2 82483.85656 80213.54362 83036.22546 76880.25439 81888.2255 77546.22392 82510.68677 80290.71896 82045.87075 79595.12893 76757.22103 79401.40304 83074.72471 81068.13929 75025.81641 79558.96676 81476.24228 80283.5461 78508.10929 76264.50308 74102.30633 77021.33823 76598.05928 82091.59044 81311.10977 80139.90499 83985.50956 75167.75142 74458.95211 80307.2582 74951.89556 75405.51194 83000.30177 77451.56726 72956.82452 77578.60354 79825.29127 74580.51442 76717.57571 76650.16211 86537.9524 79110.56091 77938.69732 78283.70978 74762.37667 76272.73114 77462.30828 78650.98343 74396.13372 77821.22505 81910.28347 84575.92582 85744.1069 87501.45436 80046.18881 79453.75735 78074.24149 82493.80847 81931.46024 80118.02658 80603.71897 83625.80385 136.9351498 130.252826 130.5913728 136.3782176 127.871823 132.3783606 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[istd] 185032.18 184337.0331 184163.3996 178965.4183 178439.8629 181937.1259 179955.6257 176210.6123 184053.3275 181203.0481 186097.6791 182444.8951 168087.5505 175583.579 176982.2255 174776.9656 177263.4575 177731.6115 171072.0157 182985.106 167759.4096 175411.3765 178698.4588 173918.0979 177051.5675 173448.2023 191174.151 171432.9111 174341.9337 180224.3931 180287.5993 172939.462 182248.6709 163357.189 174384.6131 176722.1981 180266.1696 172105.9744 177192.9207 174186.749 188038.9894 172880.6155 177490.2182 172933.3925 170140.799 173918.089 177480.2493 179257.1109 170938.9942 183485.5392 186905.9746 175815.536 181294.4883 190851.2699 193210.6597 184800.3478 180245.9382 183197.0838 163407.5562 175642.047 178362.7696 185013.5901 161.1424638 153.3490958 153.6772376 166.6176541 148.7776503 152.1530726 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(0:0/18:1(9z,d7))_[istd] 48990.12143 49185.70796 53338.06093 49136.53748 48576.07672 47387.53138 47185.4574 49109.91427 49073.28442 49138.28465 48894.17447 48371.22902 46203.96508 46774.16382 48249.48008 49477.26994 48095.80565 45463.66986 48112.19378 46387.70522 48058.69997 48463.86644 48434.68452 48030.67285 50220.24176 46315.62996 47515.48975 48655.72619 47692.81275 47850.57534 47304.71554 48044.98019 46841.6727 47436.54614 46869.54374 47600.72348 50092.10063 47823.91521 47404.1823 48046.71431 47395.71645 51168.5636 47151.52632 49050.79926 45497.56738 48121.07307 48638.31492 48835.63086 48885.37528 48227.38312 47837.18096 47878.97988 49724.53457 47233.12926 48222.81271 48010.26606 47447.61266 49332.78205 49194.48155 46299.29876 48667.65272 47404.51924 144.4410248 154.2700215 146.586479 136.3161475 146.1786476 147.0371945 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[istd]_M+H2CO2 462161.9789 497860.3571 513125.6101 475306.9123 499768.6482 437941.2063 465655.175 460836.0253 468826.4288 478116.3447 460885.0753 474240.599 471452.1805 506708.3281 464386.244 448109.4822 474625.8141 486730.3707 480618.7135 461914.4366 451967.5372 542229.0576 443957.0444 533934.6354 497526.68 500911.7437 510089.8186 436356.9688 439975.4847 532097.9584 463838.6342 457163.401 481497.7231 470670.6082 432925.3285 515790.6411 432488.3503 431996.4605 454517.3013 451481.7989 510123.0237 532508.8149 507535.7746 482834.4628 445333.5411 461651.775 491408.7397 477187.4416 413040.7799 450951.8927 529962.6062 551798.0616 492975.1252 500423.6508 464563.8391 453472.4639 468184.356 452120.3577 489580.8692 491206.8302 476249.6558 495131.6314 186.3470453 181.42269 189.0775069 209.6347033 196.3320946 194.1079389 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_ and_PC(0:0/18:1(9z,d7))_[istd] M+ H2CO2 111700.7254 101418.9492 105467.762 105954.9816 106966.0419 99795.06644 104922.7068 102296.0692 104173.1041 102722.8419 98571.58606 103951.6537 103082.1022 100676.488 103180.1487 102068.8058 103491.2585 98898.26472 99756.01525 99128.66929 106142.0639 102207.1867 101498.3639 104272.7989 101533.3162 100567.4656 99190.46292 102609.5002 100549.9022 104347.6668 101446.0961 100019.5813 100524.1711 102242.0715 102314.2207 106336.9826 103822.6837 106718.1082 99798.00499 101648.7485 102743.3186 100609.4219 99733.27933 102280.993 102518.2211 101807.8672 102537.9061 104086.6773 103011.8745 100192.4051 104459.1708 103015.9411 104562.4691 103985.5997 101640.7077 102549.1783 101533.4163 102795.752 102800.7724 102147.8169 104474.127 102921.7569 152.0853173 162.1208228 163.5697476 162.1584883 165.231875 159.2186299 GTInternalStandard_PS(33:1(d7))>PS(15:0/18:1(9z,d7))_[istd] 15446.60948 15194.09888 16068.92432 13440.38869 13950.34935 15014.54746 16711.89716 15370.85068 15087.04135 18220.03846 16468.43611 13735.56209 15222.98129 13758.19062 13367.34207 13624.90937 13918.74435 12808.92009 13565.95425 15017.27389 13953.87334 13851.81234 15213.61907 13380.16765 14355.47222 12672.30735 13502.24513 15813.24558 13667.42056 14013.23626 15828.61338 14459.88385 12940.75466 13378.56346 13390.73171 13793.77787 16966.8021 14084.84262 12598.56992 15113.39032 16266.90439 12080.82247 13244.05921 13933.57956 14454.76366 14718.30808 14033.43629 13244.51058 16235.56124 13789.77486 13275.57965 12645.40393 11304.12954 12114.54894 15348.93503 14227.08205 13552.71027 13481.97117 14715.36682 14049.34017 13195.38114 13493.7009 172.9141701 186.8990985 184.2123975 184.9417834 189.5285776 183.0480155 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[istd] 38093.87869 40170.0167 37738.93744 35391.38383 37065.57035 38123.82067 38271.07786 38472.00182 38054.77096 36167.34204 35743.07076 35936.00764 38961.11085 40086.42917 34885.89139 35568.41623 37655.44077 36162.15353 36180.38389 37954.53256 35962.27331 37382.6261 37465.10459 36958.17726 38783.0375 38761.99357 40204.73717 36090.75542 36388.79217 37474.44574 35793.87961 38265.55343 37793.17862 37490.37426 37831.00198 37426.12828 37781.69752 36061.91651 38250.57705 36275.408 37437.71003 37210.79593 37566.17541 37782.94031 33665.92485 42743.58384 36602.45792 35474.87509 33658.51747 36717.03544 38444.04944 40486.36029 41061.62996 38299.76643 37566.82142 38033.35239 38078.19644 36841.63972 36159.1523 37172.60674 36285.23999 39202.98006 221.392603 160.1664762 160.1090882 176.4010516 164.4307987 176.1199042 SM(d43:1)_M+H2CO2_feature2 12116.67809 21726.10333 29210.20084 30361.61397 42353.54289 29134.20522 31376.48248 31057.51158 23138.07225 38008.45177 35806.48818 29526.7859 27745.89414 21530.32425 23973.07004 23826.16409 27131.77076 31122.57177 26064.5968 26763.47182 34909.72921 26105.00055 50859.93532 28180.10664 30684.27299 28309.39609 19440.65927 38321.74684 35863.14651 25436.26948 60214.95786 40733.38253 28509.07887 31917.51962 45795.93032 27983.60933 48418.82639 35012.91844 30810.4539 49579.01457 27435.12774 32198.34429 20370.15152 30033.21892 43053.25 33970.96259 28585.55135 31265.12182 50192.04468 27812.12229 12109.6863 20386.47887 22396.74207 20535.86092 21388.39695 26139.53546 23921.20328 16563.24472 23498.91613 15251.84837 29518.75514 27485.49284 210.9722103 196.3722624 209.1307212 193.3960134 218.8443589 202.5036224 SM(d42:3)_M+H2CO2_feature1 86573.85525 76734.26071 90883.40528 93497.40061 91267.46072 94663.12239 90295.42472 92858.32701 87294.67074 84232.91418 107469.9495 95737.09796 101564.7479 77575.97273 113177.7211 102393.2829 87441.00421 102410.5748 83894.6111 100773.0063 105640.7619 89106.96388 108533.8503 87893.67119 99204.2407 87387.04807 79748.05299 115869.9704 110994.2198 89305.51626 102715.7986 91737.83559 88632.5444 80847.45749 94233.43803 80416.30815 100613.21 98385.39631 93764.90573 107349.5719 91295.53769 94067.55258 85688.99232 84751.57292 125751.125 109631.5949 86230.56946 94639.06075 132172.6382 95410.85497 77943.87532 80199.35489 74943.42287 80376.76226 97372.78522 92434.0688 92575.74336 94742.48826 98823.61495 102080.947 102067.8193 98595.18691 254.1016477 242.2452178 587.0733696 252.4748622 246.9767634 266.8471103 SM(d42:2)_M+H2CO2_feature1and2 102109.5397 101001.0678 113338.5876 117707.4802 113806.7626 114803.7915 124700.5783 119179.7847 107909.6556 110893.5103 141790.6035 131630.8224 130117.5637 96082.89305 155077.2398 143832.8735 130317.0572 134245.8612 110944.4621 134196.1544 134888.1481 117576.3215 133387.7172 113183.4443 125930.3237 110456.0981 98974.97593 153024.9794 158445.4994 119960.4376 130802.3417 127503.1002 111009.0397 110018.0397 121691.1488 103274.5649 123064.0238 122837.7277 127350.9362 130171.2089 123746.1755 131536.5846 117212.3716 121916.77 168181.754 146541.1421 117836.553 125741.7138 174067.9724 135036.7759 92036.73056 94109.80207 96153.84582 100375.3188 126879.923 132964.0906 130734.7429 129693.6403 130104.5207 213722.5724 140168.2892 142976.59 163.2548581 155.3575591 156.9891129 164.8961302 155.1753866 164.1050796 SM(d42:2)_M+H2CO2_feature2 413415.5568 402819.8635 474531.6026 486987.1641 466275.3258 489040.2147 484093.5164 458188.5697 425862.7262 422802.6698 492483.3715 450282.9525 499209.9018 375958.8991 536150.283 521655.7221 446984.3972 513855.067 425135.5907 487081.2178 533518.4959 469000.0422 568133.5944 450321.6429 514309.7389 443287.0105 382439.3478 565041.7988 555502.8355 454643.8304 520147.0358 452018.1148 437366.0353 407502.996 493311.9177 428979.7454 512421.4483 502054.5488 462795.8484 513366.293 468373.474 455312.5773 440181.0071 433505.3084 582799.5408 550224.8627 417803.1609 470902.7363 612741.8113 475142.5702 369199.6599 375144.7174 383360.6963 380679.3407 490805.2334 468497.1063 476013.1756 480451.6405 503402.1108 512908.1197 506004.1549 507954.667 173.0643141 235.214435 371.137283 171.8235637 170.8494081 183.0755189 SM(d42:1)_M+H2CO2_feature2 668611.5748 677508.9672 768810.1805 826772.1771 757846.5649 846785.0191 773007.9335 796749.8913 718728.6198 737929.8597 846847.5807 798466.4212 840628.1104 647571.6688 914630.1024 889411.3465 750986.2682 818160.4439 717953.1618 784141.3314 885562.8537 726895.512 847737.3636 733010.5503 788754.3355 746447.9771 647314.2815 1020485.939 917813.7409 809229.1255 853487.095 761449.7246 748229.3923 726345.4287 806591.8463 709273.2806 800913.6163 858163.2256 812852.462 876464.4653 777601.4802 820538.9575 787304.224 775312.5269 988321.4213 930426.6983 757811.1351 778824.6485 1016259.614 847649.2526 597094.0491 629940.263 600995.2748 614613.4417 834273.5993 820464.2827 825750.7923 840981.7616 818250.9328 881340.5355 877536.1534 905222.9562 164.260259 240.0187659 246.5462206 160.3253809 171.2315357 170.186853 SM(d41:2)_M+H2CO2_feature2and3 76793.22542 78991.17885 97781.17437 91413.95306 90584.35042 99242.40522 88303.45666 92421.05716 82751.71664 77006.14277 121014.2461 125014.5091 113682.4496 88111.27901 133105.3173 133588.9292 121441.9285 121955.0234 103236.0954 122238.2436 110731.7487 87193.02777 102602.4364 87320.24044 90525.3703 104996.5832 95428.69966 150438.1099 137825.4265 115029.4127 99854.39999 93025.0152 79827.27042 79530.18134 81139.07425 79267.59054 93915.70866 93448.16996 91951.37681 100500.1368 111593.2327 112191.1144 108705.586 117318.9091 148801.5317 119448.2364 111089.6077 119259.2527 164224.6985 116207.242 67207.3184 63684.55651 64675.66885 67634.6058 107801.7366 109287.4141 104663.3883 112198.8578 108910.6325 112977.9819 111375.9767 112023.0834 174.9852908 1016.032496 1127.19927 197.9397659 864.1438415 284.3649641 SM(d40:2)_M+H2CO2_feature1 31862.5305 38917.15606 30077.75349 30910.79972 31692.11418 28653.8793 28976.90109 25977.69381 24940.94139 38770.85047 32380.61485 39059.31338 51782.90469 28134.64221 55895.54796 47937.85282 32357.19358 48436.83111 37694.83334 35820.35331 45795.06047 33764.43208 51692.4948 39215.20056 46017.61545 46544.77389 27457.89637 39064.84967 36264.03389 32578.5215 40293.16338 45761.91794 46682.77258 31725.92317 52054.4611 41807.96709 58668.37924 51938.86781 53580.12274 51945.04813 30230.81827 44737.70405 45633.85511 47009.12548 65274.70839 35094.34937 40468.19572 45684.13809 47111.37648 44102.76888 31687.42424 26335.87136 34081.8274 30910.8132 33952.58507 29983.08436 34741.39635 47114.19976 47481.91833 47414.33071 35429.80852 47873.52926 245.4266977 268.9775171 281.1202495 226.5577561 238.6019551 236.813324 SM(d40:2)_M+H2CO2_feature2 113169.7394 111161.4884 139609.2263 128390.9496 129789.6783 145059.1076 139152.838 128002.0595 126424.0479 127167.6641 172452.8329 161005.3547 152460.5223 125033.969 186247.3006 191035.9401 150506.3192 164467.1356 137877.5557 157678.8279 183559.1598 157449.6676 168048.4016 133107.9236 139467.7951 144273.042 119678.9026 191810.7343 191157.8808 154916.3719 164547.9023 145277.7435 131840.8945 121703.2705 126717.7938 121953.473 138211.4978 141975.1763 149102.7579 149161.5681 148849.7736 169240.7686 143982.7455 154479.8785 217075.1153 175890.6193 148044.2108 149525.2364 231302.7935 168510.304 91527.89329 96752.32736 98136.70682 105593.123 149154.3353 154885.3735 154010.3393 155692.395 149739.2039 155504.7013 154734.2122 154768.1522 218.7831209 299.0007563 219.8203559 240.4808108 312.1907921 360.4627313 SM(d40:1)_M+H2CO2_feature2 714862.4769 763028.0909 912028.4943 920286.6258 903856.434 948244.67 902350.0327 795183.9573 824401.4744 775003.4101 965361.4157 938924.9042 870926.2375 753427.483 1046570.79 1012212.406 879698.5951 958624.0444 874521.6706 948242.0553 1091427.442 973113.6369 1112270.994 885250.4035 962658.1606 939613.8711 742697.9292 1118339.26 1170009.152 1012067.984 996210.2597 895596.795 828804.5238 824818.4945 878953.7456 838636.8764 990776.0276 968620.1524 934151.0145 932959.4527 935368.9459 952613.4126 854702.1271 933899.796 1196763.84 1070703.623 966894.6556 963795.7306 1336707.58 976401.4407 639597.1168 651007.6572 663724.2295 693462.418 974759.6942 920607.2122 948529.8003 943049.6908 987334.2275 948711.1384 979939.9567 935592.8554 147.2621155 147.7540664 141.2143093 153.2677446 144.1435441 156.1321449 SM(d40:0-OH)_M+H2CO2_feature1 43797.28223 44547.63621 48088.76317 38433.90189 49634.54385 53855.30304 49766.81699 52694.01889 37674.7223 37842.19552 43591.65869 44230.43049 52915.26835 40575.64406 57275.78502 55593.33127 48230.47332 49999.92776 44953.06238 55935.97122 52740.25073 46231.57171 55265.98465 45970.23721 54833.45974 48508.76148 43422.52552 62361.40095 42409.31067 48091.18731 55617.30181 52016.5006 45939.63209 44794.98041 42685.68422 47201.49543 49501.18661 50164.7969 51740.36833 42664.9084 51810.18599 49935.23629 50420.20132 38661.46296 63166.026 44189.01467 48654.32178 51825.67968 65752.59069 53327.95779 46147.0183 40737.97708 50503.06413 39987.12736 59696.01217 56098.30782 41073.56059 39789.02555 48707.2991 47402.53721 46397.05733 51543.17246 175.3066511 256.1598667 263.1262883 171.1071551 182.7467415 181.6318044 SM(d39:1)_M+H2CO2_feature1 79585.98243 91725.96411 117906.4146 107920.3359 104939.7931 117656.6753 94833.74777 95911.54746 85516.74646 82832.35457 128083.7867 132619.0806 110734.6884 93709.27277 131771.1808 149365.7841 130539.6539 123675.5825 107511.314 134521.9646 121774.4976 114153.4962 116364.2204 91211.22719 98218.68173 115355.9577 101092.6578 165653.8575 157357.6613 127538.3782 108571.5533 93773.69333 92679.0042 93311.09531 89593.92708 88625.661 99154.9912 105811.6954 103764.4667 108179.7705 110161.0039 126954.1976 120910.7812 129238.9023 162948.9888 124739.4832 124193.5097 123595.0912 182189.4206 123994.0761 65840.78379 67083.09758 69870.43545 72055.30835 116703.8307 114012.7687 113023.5634 116652.7962 117749.6621 112974.6489 117214.3942 121216.9111 181.1435913 257.9568714 245.8183244 181.7818591 219.7289951 1136.172687 SM(d38:1)_M+H2CO2_feature2 494852.2379 500029.6062 611734.1851 582605.1153 540949.8347 603499.8977 560981.4431 545470.9085 544911.1757 520255.7167 624016.1875 608243.3266 575215.2216 504856.4444 622099.9933 669778.5598 575601.9988 592720.9448 554555.3874 583613.9875 606701.2633 607155.8154 618052.4481 518135.2879 558373.3707 551769.5192 474471.7571 725433.3769 693815.5252 589595.7381 608727.4027 526010.2623 528754.8669 524532.0103 541702.1058 499156.2493 522939.7019 580309.8883 564857.1478 568630.0843 555099.036 591338.6223 543331.2301 549705.5277 755974.7696 645858.393 578163.7434 537672.6271 759227.321 601681.2222 414459.2107 433851.9542 448062.1215 444189.6945 594629.7937 567594.3081 582500.1615 573925.0423 589579.9243 615307.6937 595213.4576 596469.13 241.3187938 236.0628686 244.377569 228.3751179 232.1457256 242.2219399 SM(d36:2)_M+H2CO2_feature1 50058.49863 42745.32004 52821.37129 46542.60351 49477.6854 50087.70284 48383.07265 50605.30263 46528.03283 51017.91093 61283.26514 58413.58219 52690.87034 46324.68597 54177.54789 53325.30859 45955.94646 55867.77487 45693.12318 53300.80741 40493.89752 43841.30236 51353.66922 47098.50164 48505.30269 43742.64588 43647.01466 57343.34968 59651.21182 46529.75428 52414.35353 52778.75385 45879.92768 36685.56169 43807.28439 44176.87581 45596.31451 51818.27626 49834.91779 52502.20974 51792.01726 52214.23538 53515.04759 46331.72857 61905.94963 56457.64962 47290.31761 52847.41396 65161.77571 58178.62527 43017.94847 43861.81062 43085.01488 44777.78184 49029.14488 47524.75774 49916.23693 47731.88754 54528.14164 49241.97713 49951.83872 53620.54998 200.5282001 195.4238482 198.0794794 212.3329321 207.0678972 212.1358679 SM(d36:1)_M+H2CO2_feature1 590324.5695 542075.7156 621000.389 630079.6644 603217.9672 615705.1324 651775.1001 648972.5729 641627.8119 612259.6889 650823.2663 651883.6884 659312.4723 506180.323 625501.7533 653111.4282 589104.799 628964.994 565741.111 587194.8748 578060.7873 531698.9171 690346.7895 588410.5966 635111.835 552938.5137 526952.3969 738230.1969 710112.809 638430.9564 675454.4642 620889.2729 603632.1581 606309.9225 611913.324 578677.8666 618402.8395 706475.2149 629713.5371 690178.2163 602598.6254 627090.2161 590599.5123 563523.107 763022.9741 693226.7753 609279.2678 631049.1034 769470.9158 656295.2784 493028.9177 507223.4961 490442.8566 519938.8345 632511.6094 622595.7207 615878.447 605437.5005 640184.4504 634855.3126 632618.1219 622004.9694 210.1259869 212.9407876 214.9219867 225.5211227 220.9755011 238.3698049 SM(d34:1)_M+H2CO2_feature1 731703.7676 683995.9453 802666.3835 820304.436 788485.6678 800292.7953 864083.5699 785961.5099 751555.5639 722753.8168 804463.0644 814443.7583 320751.1152 597601.2056 798695.6423 831432.1612 717990.7716 806038.379 702055.6631 767421.196 906787.3566 742554.0649 960659.6117 741687.8437 850627.1749 664836.2251 602998.6244 712750.247 854265.3239 724113.23 911294.0355 776631.3592 796032.4777 731827.1017 770375.7349 745766.8946 847007.3259 848093.0649 815018.8069 873665.1412 771399.1115 830252.7224 735178.7252 723527.4018 993058.6633 839266.8327 744819.9892 760777.224 1027289.718 814405.4072 636693.3754 634091.2077 638098.3848 631831.3844 782490.2061 804394.0684 784632.7967 790176.1158 774751.8447 804386.7883 766537.1034 805612.4809 172.3029619 185.602531 182.9344683 183.6587944 191.0768134 181.7781639 PS(O-42:7)>PS(O-20:3/22:4)_feature1 50862.75121 42405.37726 53543.53037 57633.43514 52232.11179 55936.30895 56295.05052 59105.50291 54288.77875 57171.95694 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32505.31105 31177.37248 35826.03327 47295.92673 37088.87874 34342.74001 36513.02315 50714.41048 36383.94642 13345.12864 13676.45536 13949.75655 14120.90277 32380.33864 32917.30511 31891.91028 33430.69187 32370.76398 33213.67284 30977.42204 34376.56947 127.0625256 120.9159964 112.919094 128.3399404 116.7219712 129.6961846 PE(34:2)>PE(16:0_18:2)_feature2 407370.1658 399473.307 562182.4962 515785.522 573113.0862 758088.7627 478078.6851 463939.1491 467905.0704 386779.3931 408294.4361 467746.2675 527591.457 368509.7885 412205.8296 596578.585 391590.4723 491418.4726 330963.6829 425006.1524 496607.9372 530677.7792 440168.3053 392136.9188 404387.7777 325468.8259 309267.5414 457388.8694 474205.3822 405636.9876 437045.9979 337400.8672 340251.1362 366805.7349 343465.1235 302793.7504 295707.7707 307816.858 388703.4771 360706.678 437813.7808 340305.6908 348616.5968 293283.1048 413738.3015 360845.8237 327987.8452 248278.4719 380222.6994 340113.274 608444.5208 598104.0373 709004.5774 741271.575 429462.1308 430438.4514 420210.7745 420873.4283 422819.1574 426415.8841 445146.9391 462178.5219 179.7602022 175.0099089 172.4279548 190.3616916 176.2908651 176.595917 PE(34:1)>PE(16:0_18:1)_feature1 414097.2224 389507.8493 485233.1462 478385.6809 493192.3411 569202.2096 448305.7508 437313.2847 469106.8466 420026.6198 409202.4405 409803.4157 402261.1716 336778.8107 420897.9125 487472.5996 382370.5484 452995.3924 343862.5755 417481.584 501603.3979 419047.3135 467988.5525 402312.5365 451510.5664 349964.04 312231.3014 436920.9745 467311.9368 365377.5678 487495.5784 427940.0506 404085.3767 420014.4326 438204.1509 357513.7163 413447.0618 422821.7237 425841.282 445777.9184 407925.4459 352941.0429 362330.1896 316017.5693 413327.7499 461762.3986 328953.0881 332610.1981 479522.6493 369658.7163 463123.0282 475831.8928 544497.4383 538847.9717 430255.1841 425848.4079 443035.6415 414936.0772 432632.6918 416895.5952 422757.9209 430216.5949 253.110531 240.721285 228.3119283 261.739174 256.983811 243.5299393 PE(34:0)>PE(16:0_18:0)_feature2 63726.34243 60235.7158 62522.30695 74378.02682 69422.416 71991.91102 78140.55819 72813.54663 75785.4333 69138.32843 80802.10481 81579.46002 67588.51076 62031.99341 94330.58483 94023.02136 74700.16885 84630.23974 71227.18097 77120.71131 89290.29122 70215.1933 87873.84787 77144.28272 75637.50303 78596.38663 59836.55927 97699.27368 105232.6082 81541.05823 89405.55933 79591.7343 76991.98227 74454.1896 79756.65254 68569.95847 71054.01224 91757.56362 83388.87659 87998.02998 75153.47393 79880.82058 69346.09109 71874.49821 106204.5645 85964.81531 73795.69755 74610.34437 116123.0625 84013.79035 61609.98338 62855.9639 63610.49383 69059.51176 82454.275 79460.15852 79738.77657 80112.98879 81077.61406 82739.5435 83739.8448 85280.25935 191.5920088 263.7439474 244.581563 212.1244076 275.3786742 253.3353615 PE(32:0)>PE(16:0/16:0)_feature1 28462.55375 25526.95059 29601.36536 29626.03882 27392.42119 28952.56526 31559.764 27381.8454 32387.67424 31375.37531 32612.8777 38730.78533 27611.41132 26687.80173 30551.28427 34601.31553 30860.1764 37134.34548 32611.5978 32963.1645 34078.20647 30500.45239 32223.44531 29578.22267 29688.78246 32789.58368 25408.66609 36155.93729 39154.11649 31329.16391 37958.9125 32000.29448 30900.93386 31780.59262 30616.0417 27175.89214 27900.6998 32744.19985 30970.58793 32149.3396 29656.48369 32950.79184 32905.14741 26960.56352 36454.44901 36332.11677 31868.12597 29323.11084 44664.77882 33764.76585 30326.66793 29920.78507 32090.60168 30695.17241 33062.73184 30915.34824 33528.7282 33063.353 32228.39589 33526.21227 32195.25878 30344.57583 201.3448127 191.4984978 181.6179763 199.3519261 204.4259363 192.5462032 PC(P-38:5)>PC(P-18:1/20:4)_M+H2CO2_feature2 62558.16196 62708.75799 77327.11518 80543.06799 66596.30244 82535.12588 68415.46637 69366.71932 69342.07293 69124.31761 72777.72155 66830.27652 58126.44971 51861.10578 79393.55724 72659.52598 71317.66808 66072.05955 67102.332 68078.28877 73927.47795 70420.66964 83461.83925 59169.90604 71106.39906 67123.41599 57642.99614 80790.55549 78037.27092 73150.1706 83815.21908 75978.3838 68692.35316 68079.431 68184.69521 67981.88935 81487.20411 82983.79324 77818.66453 81394.67353 65274.98063 74674.46605 65948.52743 72356.44642 92909.21124 75592.49647 75881.10743 80868.10257 111246.4255 78748.10975 67377.93675 70362.67372 74444.51623 71990.46921 73855.82426 73962.19859 73335.96777 72460.83389 71853.94196 74054.58358 72959.70881 74217.68691 208.6709704 218.064268 208.7087151 206.0124835 233.4960502 237.0576627 PC(O-40:9)>PC(O:20:5/20:4)_M+H2CO2_feature1 109260.1157 97304.10842 74816.98574 102020.1274 100668.1646 98039.55852 101793.2108 92400.90543 104019.6038 111750.6656 111766.3204 111049.3768 100862.7734 96819.37076 119288.2265 98516.05232 103251.7757 70695.38948 97211.46124 107182.6939 111243.8944 103346.0934 123895.7356 103756.7766 111421.2836 88986.03231 110456.9507 126025.5809 80182.33847 97012.7957 127238.3768 92006.11498 103875.4214 103430.7134 103922.0235 85410.8603 109003.1947 106928.7498 119559.8246 109499.4769 102131.0003 110189.7681 100549.876 100834.6664 120075.6007 103840.0528 99690.75233 109774.9338 130589.2391 89297.70298 96294.99292 84982.41075 115081.4882 76944.67203 131554.5874 119026.258 112872.3738 82976.45123 100779.0381 102146.3887 88108.87561 115453.0748 255.4375788 240.9840243 268.6731127 253.0103231 257.1644279 257.3799321 PC(O-36:5)>PC(O-16:1/20:4)_M+H2CO2_feature5 813553.6519 790461.6192 913320.9571 1006532.774 893640.7276 926909.9761 955657.0204 832375.6547 879388.7065 826530.4708 863543.2386 912557.9391 721536.6071 748899.3412 899298.9224 876812.1866 843553.4077 930898.3806 862771.5224 844157.2762 1048245.389 872030.4413 1053669.905 877196.8346 958320.6336 847716.7901 731353.7096 1033438.473 996597.3837 917220.6609 1112200.838 862787.6904 932580.3875 878804.0278 914751.223 935622.9619 964405.7218 1185712.272 975311.4319 1034594.497 868534.9184 901238.9669 842367.1032 907177.8427 1115056.507 946572.395 912287.0925 935337.6864 1268190.097 963928.2823 706083.7825 732869.6272 707289.1923 743728.6838 921585.7601 905667.4994 889761.7789 930506.9245 933540.2483 943302.3567 966173.4528 974939.5798 187.1773723 182.2310749 179.5425856 198.2162947 196.9278701 183.882524 PC(O-32:1)>PC(O-16:1/16:0)_M+H2CO2_feature2 25430.91437 26919.06667 33357.40828 32863.73971 31488.91937 36844.15732 31854.55356 26339.73499 28360.29535 27554.00661 28611.8135 31382.03269 28863.43506 25000.8323 32932.52699 34191.11719 31704.30221 33534.04775 28822.33394 33447.03126 32834.47655 33365.06116 34543.56824 28653.70498 30432.0392 27453.47199 25387.67655 39501.27086 36766.52521 29625.73746 32058.36557 26461.54994 27806.27165 25082.11951 25519.316 25572.57452 28312.02518 31918.6393 28446.64484 28250.75592 29737.97471 32352.86161 31368.81268 29479.42064 35769.12862 35992.84322 28103.95332 29921.90756 41064.82028 34188.55304 27124.51386 25173.35553 26808.77359 26529.59962 29987.35087 34052.12622 30749.41578 29699.60441 32127.30302 34313.11905 29536.89107 31844.79606 219.4295231 288.7420631 286.2821241 245.2712969 267.8764582 293.7488853 PC(42:10)>PC(20:4_22:6) _M+H2CO2_feature1 21331.28704 21782.19064 22541.61638 25353.56186 22985.2122 18890.06824 29255.84136 28259.96062 26984.24253 26255.98817 35360.51072 36022.51207 24030.43582 27516.31403 38524.11804 30937.87914 29169.60092 31553.19803 30962.79536 26048.68908 32434.01786 23082.3686 35320.2585 29544.37319 24907.38171 30801.22321 21954.09352 42667.63981 43762.12645 30020.28339 34313.41588 29928.81182 28614.84067 28017.84974 31532.91106 27571.87416 29859.51493 36235.3791 34440.43594 33275.09573 28334.34951 37637.16181 28247.75809 33255.78205 45895.08354 36229.70509 33788.14617 33231.25995 52592.48557 37495.69401 18389.28242 19877.94259 18312.63968 17543.24402 31491.08417 30407.42871 30422.43977 30923.35079 28918.81629 31139.58234 33106.27068 32262.99429 145.308705 144.9386757 132.6516154 144.3598736 139.7160469 139.0630457 PC(40:8)>PC(20:4_20:4) _M+H2CO2_feature1 315794.3447 425919.1188 477827.4609 484620.7555 490960.6009 504382.8212 437675.3765 408908.1535 402676.2297 395010.5822 568806.1112 544752.3625 515259.4615 411301.6273 607991.9222 680774.6295 506084.2125 537977.0146 505868.1164 513683.2781 550987.308 539341.9873 527534.0568 486623.1154 446475.0875 499336.779 411233.9175 674805.9918 645447.948 523081.1014 474543.457 422591.1746 396085.136 392998.2872 431112.3939 384571.6447 362046.6691 481564.5049 483146.6963 466178.0207 515239.9968 525085.8974 437475.3014 504693.9661 674758.3764 516893.1186 510257.4116 467610.9788 654467.6657 516651.5029 373376.2803 380567.9681 368970.9006 376073.7405 500509.3276 502184.3904 501726.9054 486991.3582 485704.2877 514090.6481 504317.3675 505088.8294 163.2596431 151.5515109 158.5785048 174.5142498 154.273275 155.8961909 PC(40:7)>PC(18:2_22:5)_M+H2CO2_feature1 63677.23366 67327.35523 77363.02431 88096.83973 82486.83161 91519.97865 83136.69729 81093.15158 68081.12728 78807.46084 72519.95625 84918.65233 83604.15313 74481.11662 71861.12574 91301.48207 71383.22999 74670.5499 71024.10349 66836.62119 91945.98416 83930.62333 82831.54202 76504.49088 69617.62803 66312.43937 51491.14287 101015.8734 78274.44273 74150.90464 71478.45591 66790.61664 53262.28426 59018.30499 60032.66951 55160.36717 53791.75665 64332.00559 80558.58871 69571.36713 66467.11283 68660.42037 50737.64652 64844.7564 72886.48838 60083.73985 65711.079 48855.05047 80092.07383 54008.724 64404.5395 67569.03427 67290.42969 72286.80097 72133.87795 72793.18251 69663.97963 74805.8258 75427.51504 76399.92584 67578.74775 77400.12414 154.7874604 148.5385008 147.7649866 158.7171667 155.3204986 146.7706357 PC(40:7)>PC(18:1_22:6) _M+H2CO2_feature3 125197.1183 150578.868 155882.2736 168664.4966 180418.2039 174296.9612 168238.8512 161450.6325 135454.7655 159125.7699 175318.3369 166682.3431 166312.0545 131326.8491 237199.4205 208967.7753 178822.0534 175737.3779 165523.9093 181622.046 201230.1925 184562.3736 213133.1834 187509.5148 192619.3581 188970.3465 139887.7915 223412.2947 229165.321 180226.2659 201268.4972 175479.1354 182786.6597 166034.4297 191872.4262 172383.8579 182213.7667 221645.5181 193071.5938 192249.5006 162336.5852 185310.637 153258.2569 188216.0854 219233.3481 187125.0962 172759.7451 193448.7778 239951.6652 177995.364 108169.3933 116918.4488 120049.6825 116424.4999 174854.542 171625.1211 180756.9657 176630.4024 175685.7192 193325.211 173545.3748 174168.4154 190.1084962 204.7824232 201.8386469 202.6378237 210.8224099 203.5272292 PC(40:6)>PC(18:0_22:6) _M+H2CO2_feature3 1676474.84 2382211.423 2327147.577 2525626.363 2392814.229 2324112.161 2066179.25 1938854.776 2008739.167 2138291.731 2582183.357 2472160.524 2346704.928 1989721.554 3152773.085 2906949.215 2722091.525 2517941.755 2581482.523 2741470.436 2863919.064 2734394.621 2755223.134 2554390.16 2717361.581 2786225.997 2312701.193 3077683.787 2989600.482 2885479.275 2586337.703 2486257.823 2356357.528 2302916.582 2598264.029 2462682.884 2609588.265 2960101.916 2611961.113 2832908.175 2417988.498 2623683.588 2173259.197 2719328.271 3236345.543 2801462.149 2589636.336 2739798.32 3482190.532 2744644.961 1449113.33 1455148.957 1431122.174 1504858.331 2548505.578 2469650.429 2480745.576 2497185.215 2523423.633 2537936.692 2650189.508 2574393.434 198.2997261 195.1232574 219.4784673 201.8108556 215.9009435 215.3245161 PC(40:5)>PC(18:0_22:5)_M+H2CO2_feature3 817809.3924 972500.1476 941434.3156 1053011.584 901148.3396 949594.5058 912010.6487 862465.8675 839023.8042 1006650.414 902015.6241 868755.9387 835261.2993 790530.389 992643.6433 1031637.953 924641.0177 890701.9499 995578.9736 903446.2051 1051765.103 1054792.563 1164614.7 1094318.263 1100813.681 971761.946 761457.6346 1126012.407 1021115.211 1007779.934 1049092.807 1012935.996 938041.6668 939174.4574 1014414.528 987243.0748 979508.5415 1183424.304 1064487.634 1038035.521 814006.91 970227.7333 754292.5084 903060.5209 986208.2634 914068.8615 838371.8916 877362.4653 1167145.653 858651.9172 643576.6391 630775.9986 631707.935 627740.5152 983477.4093 906283.1318 972267.5599 933979.2846 927412.0769 997252.1579 967706.0929 984279.6606 223.5057952 227.5472595 233.8672694 236.8790616 237.6238563 237.8229854 PC(40:5)>PC(18:0_22:5)_M+H2CO2_feature4 131276.1246 163143.2419 187554.4473 236173.0686 175601.4839 163695.6768 169154.6667 145253.5979 155315.168 180835.1012 264474.4861 210716.5571 205890.578 179944.9618 310060.9951 280561.0913 266805.8262 209293.643 234615.6526 286028.965 161153.8714 138722.5406 145891.1286 157792.8501 165739.4466 268063.4176 209029.7967 272647.9611 258318.9401 246941.2544 195144.8459 169395.0401 204040.7734 186780.7856 192152.0845 193843.6423 184935.5801 295530.5499 215218.7505 249816.1366 273431.4656 237921.0193 256163.241 334611.4898 404693.3735 360386.4665 394978.3684 404347.2382 545525.1978 352835.7708 74290.88505 72080.64869 81456.18352 83016.81537 230762.7714 225522.1718 221799.2899 231848.1686 232628.1757 232569.0639 242106.4247 236972.9048 185.2121731 240.4489327 238.4004272 193.5702231 226.2816001 218.9152164 PC(40:4)>PC(18:0_22:4)_M+H2CO2_feature2 345903.5037 357262.8961 397401.7906 482486.5381 373641.4136 393650.851 404082.7288 388018.2747 394448.2891 431495.3244 515667.3962 440085.522 357193.318 336891.1432 537885.8887 505810.4114 491114.7137 441867.3482 440687.499 469012.6115 341243.9271 305596.9602 382957.601 345883.2324 382753.9467 491463.2431 421414.9648 523527.8908 512619.4283 538361.8424 530209.1637 408187.5076 449291.3751 430465.4664 472256.4557 422709.4515 437659.5396 572751.931 489577.3776 513823.4877 489298.6129 445769.2126 458308.2924 537892.5237 625152.3226 636401.5501 590970.4945 637350.479 882321.4958 574488.2549 225746.9178 230133.9056 242522.1407 246586.6901 479969.2515 465703.8215 461280.9793 446460.9621 460431.8503 497113.7635 455100.5878 486485.5414 232.5916458 221.2738991 218.2063725 220.7073487 270.7619798 275.1611488 PC(39:6)>PC(17:0_22:6)_M+H2CO2_feature3 16814.26484 26512.7203 30531.13727 28840.96971 29496.82625 29335.11185 22038.5265 22814.20613 20833.40776 23296.52361 29429.8542 29060.97658 26363.93751 20834.66319 35070.78951 33790.17353 32376.79639 29181.90071 29897.02974 34321.51952 38330.28847 37511.99772 34302.29839 30256.00288 30579.80638 31737.36417 26957.47245 41729.7724 36286.12653 31365.68395 29465.21286 29582.60442 28233.78002 25411.15718 26999.56618 27436.96619 27922.64472 32854.94974 29908.41899 32939.44791 26649.50644 30759.23182 26453.5033 34629.95163 39207.37265 32120.57516 31739.35395 35596.9424 42913.26211 33861.7468 18057.71025 17002.63488 17546.62262 18171.52955 30384.51288 28438.78246 30189.11306 31679.5565 30184.19076 28772.31796 31075.13744 30736.51654 180.1733864 169.7940006 182.0951069 190.1382487 178.9564771 181.0712258 PC(39:4)>PC(19:0_20:4)_M+H2CO2_feature5 70701.71454 76647.38263 82984.55578 81715.97175 76559.36464 79632.99706 89885.21193 78798.2139 79371.77712 77215.34662 83473.02429 81720.81885 66626.04158 62364.17794 89291.53888 93684.187 83548.28564 77215.50116 66000.15496 77005.24213 112511.0497 100754.054 108222.5671 80209.01684 83636.31557 80623.57492 60942.58953 99355.39148 96919.22994 77318.92863 103671.7108 87484.67211 75232.96951 78149.819 77292.57286 78477.62124 88286.23026 87047.32355 89159.25727 88619.56965 69470.6066 81848.67584 77437.79094 85020.65344 101885.6831 81152.15026 76111.02709 74576.38653 110083.2689 82023.09778 49821.51337 56402.61195 57288.03775 57544.77676 81548.00834 85375.08121 81049.92237 81911.38496 82848.6394 83019.80401 83970.22912 80745.00767 215.9478275 227.1757724 228.4925172 213.9553796 243.2523496 246.962779 PC(38:6)>PC(18:2_20:4)_M+H2CO2_feature1 999350.52 932671.4141 993249.7404 1045426.456 1050920.103 1082155.125 1350228.129 1198279.232 1157271.512 1027049.89 1114809.963 1218855.325 1015281.098 1005768.691 1129266.358 1269674.566 954304.1727 1093061.055 867673.9443 916827.049 1215014.546 999539.2091 1266669.591 1029129.037 935711.534 916213.6659 735171.1051 1240325.261 1249651.038 946948.9992 1201210.685 1063200.943 963427.0595 997284.7627 1053730.793 893221.0269 903435.9335 993977.9827 1149892.714 1046373.498 1065927.858 1090189.739 1023600.658 903384.1685 1314863.652 1094929.973 938264.6392 834999.6267 1196934.369 988694.877 1084014.341 1106599.871 1162555.948 1167685.887 1067388.145 1070001.42 1049019.027 1067271.647 1061326.785 1087885.784 1073349.25 1053875.261 171.1014936 164.1939165 167.4049925 175.4453766 164.5465977 171.9560237 PC(38:6)>PC(16:0_22:6)_and_PC(38:6)>PC(18:0_20:6)_M+H2CO2_feature2 1630231.45 2261162.099 2273706.264 2507629.665 2408966.09 2302686.359 1982797.265 2018757.929 1948071.849 2292334.437 2603561.235 2692023.608 2354659.06 1919763.247 3073141.856 2940872.475 2730053.104 2634810.908 2706381.255 2778708.936 3019945.171 2628079.066 2627293.499 2588177.138 2665818.806 2717425.827 2260740.059 3303874.136 3093686.902 2864357.537 2671295.643 2458591.535 2471988.541 2220112.312 2503171.666 2398662.237 2627924.009 3011754.704 2568723.867 2835521.42 2418317.109 2828129.247 2222366.531 2709642.691 3248492.263 2771581.001 2648139.654 3077634.521 3636369.363 2758731.116 1540678.572 1591608.132 1550751.965 1570815.169 2534865.242 2607483.17 2545661.708 2589047.496 2514375.744 2701644.103 2608017.331 2685729.012 190.0583528 182.3922544 174.2796426 188.9162909 210.9277885 186.6415437 PC(38:5)>PC(16:0_22:5)_and_PC(18:1_20:4)_M+H2CO2_feature4 1551542.816 1502580.563 1592156.406 1680746.287 1682987.599 1685333.611 1813050.481 1795782.523 1613474.31 1781551.974 1733425.327 1643401.767 1496120.729 1362824.398 1688510.615 1771741.793 1521040.382 1641160.741 1492739.477 1629065.484 1943688.009 1679236.772 1786564.961 1713407.806 1735168.03 1586845.001 1339335.877 1802419.133 1821167.428 1569744.474 1887259.504 1799926.416 1742630.051 1728362.009 1812005.933 1602205.917 1860980.549 2113333.272 1741609.33 1827608.32 1465700.179 1673031.371 1518100.151 1604528.663 1848392.331 1684147.33 1476457.367 1628763.44 2069357.472 1578376.119 1397719.956 1352788.519 1411340.743 1442023.904 1702329.836 1677937.613 1687589.03 1596003.806 1629195.43 1640301.373 1707757.759 1768402.524 211.5608679 198.2028703 208.9774234 222.8063965 218.4603663 223.8071668 PC(38:5)>PC(16:0_22:5)_and_PC(18:1_20:4)_M+H2CO2_feature5 120741.6675 150684.2005 171128.237 193490.6135 164933.4464 170199.8339 149409.3551 135936.3544 151502.1748 161614.1708 223877.1132 211269.042 218375.6271 176583.9784 261703.4241 265584.8373 235527.6301 187478.0014 195027.9094 240801.7258 190859.538 193830.5306 159082.176 158658.6769 173970.8634 233684.5955 195665.784 241681.2013 237071.5104 228827.2582 174252.8257 146566.3464 180550.4925 159249.9831 170683.9918 165822.8581 171204.3777 243413.1473 198070.0332 193587.162 236662.0366 205737.8555 207399.3008 266893.56 324488.4021 240355.9148 308599.5398 323923.6684 400562.2493 275529.1523 91874.96408 86588.63507 91286.91624 99897.41967 206503.6723 186763.2333 203780.4207 193958.0358 193351.1352 208237.9893 198988.9089 226674.6286 192.7754248 187.6811949 184.9122988 204.1444965 203.1049265 200.8040445 PC(38:4)>PC(18:0_20:4)_M+H2CO2_feature4 12221235.62 11518436.91 10764441.4 12421678.81 11404163.71 11191195.42 12973684.99 7368682.604 7252479.877 12037095.16 12481697.48 11956389.62 10374821.85 9969615.523 12506963.53 12004470.9 11381247.75 11185288 10751677.11 10915307.94 14408406.48 11588794.66 13875320.41 12527010 12370600.48 12006855.14 9097939.242 13214881.03 13246404.37 11286452.39 14296961.57 14420764.82 12453711.51 11929007.64 13805928.77 13005145.42 13521295.48 13475279.04 13992960.38 14594982.86 10159531.35 12378006.72 11063870.45 11738245.51 12165772.39 12569182.01 11340090.45 6627623.774 13865856.1 11035421.23 5228214.601 8943000.508 8974479.82 9280483.535 12901715.24 12109532 12319172.05 12093305.35 11840264.56 12724434.8 13138010.09 11014748.31 215.4767545 218.2196089 245.9338021 229.1098503 232.87154 233.0666867 PC(38:4)>PC(16:0_22:4)_M+H2CO2_feature3 272448.9404 229453.1035 266247.786 309456.995 248037.7615 265985.9713 283886.9003 283241.4475 276604.509 296417.5381 369077.0196 302291.4964 238527.1951 232995.8311 327145.0088 335492.2424 334841.214 317879.5905 313890.2999 311603.0295 246503.0994 204259.7276 260578.236 234847.0756 277584.81 324382.3527 309692.5599 366146.1733 340137.0181 361357.9104 338626.5224 275334.7021 280958.9409 292230.6038 315428.1451 281751.5583 303252.9496 376804.4341 316223.9692 343854.3295 326693.1364 292389.5273 315073.3238 439134.853 453628.5289 454448.8631 419282.3569 422624.6913 587889.5193 409116.4713 175607.7261 172911.4441 184596.7916 183110.2586 343465.7116 308292.9535 308571.1069 338508.4494 297119.8125 307376.2898 298088.7947 316559.6019 161.2455081 163.4345528 164.5007833 180.0003826 167.7858856 179.7134985 PC(38:3)>PC(18:0_20:3)_M+H2CO2_feature3 97337.79948 135086.7634 170209.6648 163046.8883 176555.1592 212653.9934 142817.3738 144532.6559 140906.7447 154534.7467 162045.2527 190849.328 242414.1672 157692.7905 132671.1291 246863.0882 165605.1981 197267.7646 133160.4378 171856.1113 158585.9098 147487.0542 181166.5869 159941.5216 152881.8923 128365.8913 127919.5253 198804.5566 211813.7277 186479.0328 159361.6135 98411.41817 113919.6948 134091.888 151066.1787 111337.3851 90507.28938 146783.4777 124536.5482 110765.5514 143931.8182 134571.9605 132170.242 118278.0732 153162.8967 162050.9845 108400.9546 107693.8612 162551.9535 135281.3521 146434.562 146250.2489 180241.5988 173437.2526 160926.3467 155911.6426 158031.9573 161500.0091 155447.7116 162470.8921 156330.9323 160589.4404 213.0354526 231.4687545 221.6748687 208.3958007 243.6125478 240.3883079 PC(38:2)>PC(18:0_20:2)_M+H2CO2_feature4 70168.19447 74307.52404 83701.25187 90486.3359 86954.08921 110121.3805 87258.07155 81462.01019 83980.6056 77974.93772 80082.16937 78970.80585 80411.79238 64054.06877 95071.7566 100848.1112 82059.91319 77221.4176 70271.45769 84310.77045 89874.9482 72083.36765 102260.6609 84047.75127 91262.96159 69717.58595 62564.72523 92600.00573 94108.36591 91461.73051 96013.31259 88955.2317 74788.46115 84311.89968 84398.57694 73686.11552 76636.46216 89641.82653 83884.57511 97028.16665 78286.01791 69354.33243 65954.35831 66740.94685 99226.95017 87833.31736 73229.41281 69950.76396 115479.7403 79091.74111 74239.20131 75951.43645 82249.87957 88542.60776 83949.33492 81759.6007 85774.53896 81142.92485 88175.92309 86396.78611 86555.20206 87580.82032 220.7061105 212.6091506 214.1820676 223.9248223 268.88954 296.8407467 PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature3 194640.7815 181222.2824 185527.0564 197218.8705 197844.0715 197892.6767 223959.0483 218914.0826 193362.9751 191760.978 200229.6299 195950.0701 158297.3747 149845.2352 207115.4872 206658.8107 180634.1826 187316.7967 164448.8838 186221.582 270390.5608 222243.9024 247092.6692 201735.4391 207007.4953 180093.4797 144254.1243 224547.9464 216547.7326 166641.1121 252179.0204 219352.3488 198252.0312 199634.082 213517.2893 196291.5103 224524.081 224190.7678 212771.0559 230333.1909 192188.461 197940.9695 195323.6608 213865.6102 244439.3016 197221.2689 194825.2111 192399.6826 279631.3793 205519.2383 151722.0504 157583.0793 163066.7036 164704.2302 199702.67 201569.9912 195444.7211 209876.5893 193855.7916 209426.2449 206366.2256 211298.3863 207.2680981 190.8970279 184.2833156 202.3075093 203.6352752 197.2810452 PC(36:5)>PC(16:1_20:4)_M+H2CO2_feature2 56490.84669 32885.45773 39763.12069 65815.57668 63745.59649 69191.54993 93459.91271 80556.66108 92695.378 67799.65211 71370.54415 77003.84866 72096.72513 72328.84685 73871.96506 86991.33137 44870.07171 75650.58537 64444.4089 41855.68306 94711.06828 60634.88358 86491.11594 77945.12371 64358.28379 49398.47229 53157.31302 77091.56514 92212.42195 57701.99077 94755.697 65694.75189 65404.26331 62733.64679 89627.68195 64207.03618 66399.43668 87367.6203 74264.05605 72607.78064 65909.01462 67348.46336 56029.89813 53401.80611 77115.66604 69371.19556 53030.96713 50582.33048 80808.36705 53601.15475 64037.73314 65120.68023 77610.26609 73603.61281 69971.54082 71852.32204 70216.84292 65840.46522 63624.42159 71843.12414 66381.28161 75524.22532 233.5541386 225.7360163 211.9141463 230.1866868 226.402287 211.0836434 PC(36:5)>PC(16:0_20:5)_M+H2CO2_feature3 25107.55775 41999.65161 61764.23843 62783.86042 54008.11081 65748.44163 27793.40161 43800.26479 29821.41756 48904.01059 52318.35221 55633.18785 77657.39418 47843.27973 60319.74213 87676.68648 61557.21831 65673.21184 48621.93454 60122.17609 86371.90564 80344.20959 64544.75161 53077.40178 54263.07205 47090.3951 50066.51505 76871.55167 75934.90826 66324.00455 34066.631 26304.82486 39994.68995 43228.41157 42569.81693 25935.53423 25282.29307 47097.76961 33761.28862 27756.64838 49115.82754 46211.16689 39491.323 24378.33592 51583.9432 53013.615 42810.36724 21710.56061 36424.2898 40801.78754 22397.06452 24208.99452 28630.70021 27866.59943 35513.94952 51882.16247 51372.37635 51006.72249 52402.90199 50293.11838 50290.38234 52888.53136 181.8908848 174.5477268 173.6387696 184.110409 182.5172585 176.1576603 PC(36:4)>PC(18:2/18:2)_M+H2CO2_feature2 147414.8409 162950.5763 246595.3792 189098.8956 240543.5405 357307.1332 231457.0615 194676.4278 189097.1664 145515.8814 164766.6939 155316.4308 215343.2017 165491.8356 147836.0305 263819.1382 141766.581 198790.1849 122500.5467 154425.6204 242075.9637 252093.4318 200074.8845 160158.3314 155288.8623 107738.9862 104066.1176 189646.2605 188644.2554 143290.5147 178285.0784 138974.4005 132470.7023 150440.637 136720.2458 115074.792 129851.9222 121925.3159 163729.676 141403.9684 155625.6691 124491.8852 124980.9673 107362.9184 170096.8264 128206.2821 116741.7884 81707.21864 141804.1288 122812.4866 297482.2442 295746.6996 389813.4179 406044.5841 178967.922 171871.3037 178694.113 170744.2562 173920.6771 175898.9971 172512.4737 171677.241 161.6704243 159.0687991 155.4002802 167.4524385 158.8970006 163.6141548 PC(36:4)>PC(16:0_20:4)_M+H2CO2_feature3 5577242.362 5582538.413 5856238.048 6306495.938 5798021.799 5799897.98 6433444.576 6231325.636 6253050.589 6057895.392 6391005.368 6480945.366 5418420.157 5190326.767 6621415.336 6226029.97 5854297.495 6193257.502 5816396.925 5784004.52 6988089.446 5825976.104 6796967.254 6043485.098 6274068.095 6149955.933 5184622.214 6758505.815 6985112.651 6004167.602 7080935.698 6379860.38 6115509.073 6225439.708 6436943.399 5884779.042 6440636.029 7207014.167 6390460.769 6682456.7 6115698.278 6162955.129 5771118.717 6120082.125 7035505.943 7053220.741 5813094.312 6107290.414 7944187.355 6277327.122 4732573.53 4993829.151 5054189.24 5189108.578 6491171.236 6075578.399 6175148.107 6249291.167 6348763.792 6160628.761 6300470.42 6518718.044 192.8322408 183.5062532 185.9999352 199.384165 194.4402094 199.1991184 PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature2 538049.5862 537292.5519 671129.766 612572.5474 698421.5341 852040.2969 697299.6367 666526.336 602039.1911 517170.3704 562330.481 574312.4519 725872.7814 523907.9809 553358.2749 775938.8655 532478.9232 641959.4781 441411.725 528740.8023 603743.2985 609633.1164 642704.2343 562379.1076 556510.7779 423353.1878 415723.3957 594397.3442 661940.5469 499246.2671 569919.3114 505492.1968 476595.5974 507240.2952 495597.9482 444049.2835 438283.4959 469631.4475 531703.7906 527540.7187 569087.6732 446590.9578 515291.2505 420812.9397 575063.915 550769.9294 455419.076 372950.1923 532012.1302 489359.5532 789899.0105 794552.5873 962424.1035 935817.6807 565479.2997 562359.0709 574030.3863 585462.2575 567597.445 577747.8766 586743.8786 569409.6969 240.1068755 224.257654 242.7180866 253.4389456 245.6794599 255.2001683 PC(36:2)>PC(18:0_18:2)_M+H2CO2_feature3 2013851.379 2041927.065 2995803.249 2364861.869 2723152.283 3642904.247 2471370.573 2276077.705 2186594.49 1895962.494 2232777.225 2067751.294 2847187.583 2199621.516 2144228.176 3051733.095 2237091.303 2574548.604 1837419.787 2137599.914 2392687.164 2730710.231 2398020.141 2048684.759 2165977.084 1729312.011 1740881.654 2442010.02 2465114.185 2236510.44 2198882.726 1825569.47 1789772.697 1911662.106 1885142.486 1704198.002 1793195.347 1677659.41 2113129.561 1968625.13 2299435.893 1836508.417 1952359.704 1695284.036 2219238.464 1939527.776 1839039.474 1486616.237 2139618.708 1758194.144 2460819.093 2520701.067 3001665.862 3152888.993 2203003.363 2202159.433 2205438.854 2165483.582 2276405.578 2288557.773 2276430.143 2270795.46 223.8206273 212.8650624 201.8917142 231.4507653 227.245692 215.3486998 PC(36:1)>PC(16:0_20:1)_and_PC(18:0_18:1)_M+H2CO2_feature1 1630465.51 1592481.724 1826933.499 1892329.978 1886116.458 2051509.812 1832424.064 1816746.471 1773218.889 1704557.872 1712170.026 1763568.843 1877671.713 1457881.126 1972166.242 2097361.541 1601562.251 1695759.23 1412438.444 1771093.462 1961801.219 1620001.884 1968792.732 1750938.338 1909873.985 1480724.311 1367050.684 1861074.85 2016723.513 1639152.916 1891622.213 1717025.325 1658963.946 1762816.017 1853177.744 1520258.234 1672711.746 1739328.32 1666444.699 1937149.992 1670891.3 1522077.856 1603486.672 1431244.688 1922714.399 1949059.175 1495150.645 1440600.929 2106858.651 1654810.051 1726619.483 1756791.944 1945170.308 1868890.578 1767719.928 1702082.172 1764345.208 1769140.863 1767282.183 1803989.339 1829144.533 1784145.372 314.9532961 298.1057587 360.7584261 290.7389976 290.3827231 302.9866965 PC(35:4)>PC(15:0_20:4)_M+H2CO2_feature2 44089.84885 48857.06284 59030.32463 55927.12025 53846.87111 59606.78917 54944.85362 54891.51684 50772.46967 51403.83555 51349.44565 47914.25959 41848.69014 36698.14256 53281.4838 57990.30439 48014.36806 47332.59815 40180.82575 52332.30598 66892.72599 55264.22529 66030.48503 48921.18317 50537.01977 47482.68986 37832.96962 60278.84448 62576.50513 47615.38706 64335.81982 56856.54305 46630.51985 51060.77105 51457.48797 48687.31799 59874.98795 56771.62562 58722.55915 58739.76998 41764.50382 40528.81893 41991.61426 51500.51145 58467.38442 44457.04288 48462.18322 44751.1566 72598.89768 48257.30544 49731.97433 54446.52316 52646.2798 52131.35996 52907.59062 53063.26559 49727.93973 51733.6064 49319.18426 52482.91412 51713.57611 50263.36324 161.6359203 159.0348503 155.3671144 165.6120862 156.1910612 158.1278602 PC(35:2)>PC(17:0_18:2)_M+H2CO2_feature2 27135.43831 29707.55837 43861.43034 32388.63317 41008.72851 59293.27919 34516.63446 29685.22772 29267.55223 24562.58749 31810.02753 24395.21051 36803.99873 26906.01248 29121.53741 42096.18752 30385.70271 32855.33115 23088.42031 34572.1577 41291.57809 46799.87047 35355.77437 25346.91662 32800.87477 22325.43361 22366.9501 34078.34785 35624.46458 30912.19637 30347.35824 26614.65424 24763.0469 26014.4197 26471.56309 20812.11622 27655.76166 21579.11555 27975.71607 26587.37523 28484.55419 24650.27726 26212.77621 23778.06577 30395.82039 24361.37468 25633.24961 18490.7806 29276.49908 24016.63276 42217.14006 39302.7232 50126.59095 49837.33197 31384.62716 29705.20575 30321.09097 30284.61206 30280.01934 32302.04021 31163.62069 31123.54714 194.9771684 181.9658349 183.1529616 200.4100071 186.8105503 200.0905943 PC(34:4)>PC(14:0_20:4)_M+H2CO2_feature2 30781.74935 30448.03395 38096.5558 39769.03802 36180.4162 41413.96407 38201.79357 38185.54844 40324.6852 38871.08195 31225.40392 28750.92171 34308.28937 28514.17579 34142.63963 37785.05421 27870.52126 31963.23598 27875.4258 35685.22439 45447.8516 35942.64603 42159.41171 34373.16135 40567.39372 30240.19566 24835.76859 35149.70006 39942.78378 31529.84151 42797.02236 37055.31434 30876.24855 34515.77162 40816.99997 31422.5648 39624.1492 37221.55834 37236.13105 40009.2392 32610.19442 23736.08043 22446.13289 25246.67641 34005.11146 31419.60399 27057.85993 24082.99445 42136.33692 28907.22364 35875.87726 35227.80153 40345.60732 41756.1164 34301.7232 35656.99554 33654.00467 34132.03621 33513.28408 38302.16931 36498.44037 36118.32383 146.8335479 137.4329546 143.3258322 157.7288177 139.4346955 140.9015132 PC(34:2)>PC(16:0_18:2)_M+H2CO2_feature1 1612690.951 1628982.314 2308826.537 2054788.922 2165729.82 2742087.198 1962544.057 1780460.062 1808730.626 1682987.283 1752700.155 1705997.688 2088322.801 1642581.692 1666375.221 2406415.045 1767452.019 2007066.918 1509408.449 1752366.9 2117765.428 2176042.723 1844819.643 1689511.031 1822980.455 1415678.92 1372844.659 1928521.398 1946900.955 1743248.949 1858893.15 1567179.55 1561286.554 1570348.381 1532804.301 1365725.367 1570033.003 1550051.283 1655554.765 1662518.136 1762156.701 1507454.102 1505643.609 1360154.004 1863139.585 1557745.567 1498279.496 1296215.123 1735436.628 1490426.453 2084565.805 2101321.379 2503249.773 2550246.376 1712704.97 1801212.83 1751040.332 1779565.396 1841874.499 1804645.705 1799366.039 1824516.003 193.0593005 170.5962139 181.4828186 187.1491809 192.9459615 200.4231118 PC(34:1)>PC(16:0_18:1)_M+H2CO2_feature2 2452257.673 2439924.734 2921136.051 2892620.112 2991828.421 3196462.722 2734728.866 2759064.292 2631257.057 2603463.952 2665239.764 2683995.244 2960056.848 2361426.958 2909595.815 3238982.16 2518482.022 2874338.062 2340089.965 2751108.33 2807278.808 2545701.116 2812064.106 2524109.657 2838338.853 2359777.911 2371739.68 2922265.458 2900175.739 2558262.084 2796137.051 2321306.094 2511514.103 2501965.367 2483070.59 2326014.009 2536313.348 2712614.825 2662034.059 2616158.547 2691892.512 2388220.571 2478910.032 2282044.678 3005134.901 3054709.106 2324792.452 2323297.082 2713840.899 2712347.036 2664430.416 2595798.125 2847075.041 2905433.272 2665674.343 2669546.727 2634630.637 2663658.592 2780085.713 2769073.788 2718072.312 2833610.725 250.3317773 263.1723656 274.1453963 268.6726392 263.2572522 274.6027369 PC(34:0)>PC(16:0_18:0)_M+H2CO2_feature3 416680.4905 392227.3129 378826.5734 430521.7001 405917.9045 403775.7045 452842.7522 457135.4001 427340.3443 441397.6512 452651.3095 438167.7196 360091.5393 368589.8012 477275.0198 460584.7113 413433.6601 447458.1994 425744.2015 425628.0396 478972.439 412178.5193 511648.6551 457638.5613 431346.7561 426840.7979 354489.959 501441.7586 518692.796 421099.3075 500760.5496 460498.6544 439656.982 432420.4309 467841.9122 419975.5805 445467.086 499818.096 467612.9876 479573.2308 427091.6993 455689.1864 423310.5482 433673.4872 550635.3824 495458.1929 417017.1206 436266.9677 585174.6922 460827.5106 410839.0813 429692.8948 399849.6995 395603.7217 465609.9095 442024.7281 450507.2902 448839.8657 466170.3061 456383.9869 456490.3607 465320.6446 463.1874518 507.6343035 530.5509679 427.576587 420.6362795 446.9316548 PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1)_M+H2CO2_feature1 49633.21372 48866.59543 66185.51449 71425.7628 60755.38563 88842.11258 81077.00948 79924.63824 76230.25604 53444.11462 62765.55007 73675.70619 73035.9947 60617.42652 48619.44065 78755.31753 50094.43749 70107.55213 54925.67889 56584.97884 68720.94507 52958.88075 74262.84336 59517.55519 61967.7658 48267.98505 56599.3472 53123.75629 62691.66189 54344.04798 67212.69109 47481.79304 52844.81627 49658.59695 51962.71203 32657.71651 56088.44605 43768.67679 69487.84017 69605.48222 60459.67244 45669.66919 47304.24163 53492.66895 53463.83921 58499.93782 52484.22708 46571.82516 79976.07151 42801.68189 73267.95531 81770.92534 89159.92911 104962.0816 77692.85057 48852.95643 59467.98073 51891.48931 57603.51743 67801.88822 60560.11993 69966.11617 188.5709459 179.4510483 179.835044 194.9780827 176.0900006 182.295873 PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1)_M+H2CO2_feature2 14256.68534 6548.86939 22138.6946 8076.890536 23676.10836 16962.35061 1813.065273 2607.911439 9187.396141 13882.11992 17735.14573 16378.62818 20441.50465 13857.48476 18071.90473 21603.98507 17003.09082 19496.74017 13361.71598 14133.6445 9849.260959 12391.41416 14670.16604 15069.17709 17045.57147 11784.24483 16227.13463 10062.93095 20444.06349 5189.485373 15233.07623 11337.39725 18261.68994 14785.75755 11630.31802 4759.118542 13795.4688 26430.07707 13608.88974 4895.615583 19036.4085 14417.28707 17654.2061 12489.50925 21055.29443 3167.698479 13974.772 8589.557611 18964.48056 14951.37569 6504.349071 8712.172201 1564.270223 7044.882083 14473.19622 16185.98626 15447.89355 14248.28613 15703.08075 9626.978852 16174.43239 5896.850511 494.9325793 466.9010155 473.2457727 507.2997103 494.720641 506.8288902 PC(32:0)>PC(16:0_16:0)_M+H2CO2_feature2 1289164.361 1174017.623 1246574.144 1369533.273 1330725.007 1294444.106 1542553.19 1420573.989 1447047.437 1402578.366 1490727.956 1511779.696 1289847.75 1268156.856 1473876.712 1565294.103 1311128.511 1522254.362 1381397.476 1374453.948 1505355.357 1318724.359 1520110.654 1331751.123 1399946.093 1334428.368 1206634.319 1601637.668 1593124.779 1385891.914 1540238.331 1334404.686 1389703.806 1361469.507 1384723.741 1270843.41 1369274.088 1498734.029 1367775.3 1416223.593 1338010.766 1409738.231 1373196.606 1393256.13 1687251.082 1608367.847 1389519.302 1369768.563 1740127.263 1543273.823 1216111.797 1229132.26 1193087.463 1241340.325 1416503.229 1379762.4 1394919.531 1389441.317 1395106.73 1422699.266 1422498.236 1439978.244 416.1070437 433.5314394 431.8803993 438.640159 436.7582867 472.0375442 PC(30:0)>PC(14:0_16:0)_M+H2CO2_feature1 39584.60634 36754.69564 65079.70122 49102.21078 60094.58801 68996.92549 60358.05869 47779.42375 57681.46762 46489.42098 46198.72732 52917.93874 67628.61281 41633.71132 53795.53053 72147.26031 55594.17291 63940.18817 51910.38506 63428.776 60623.72198 48366.23771 61073.98421 52523.75373 61629.19446 49918.09223 48603.62951 61960.80824 65137.54682 55394.66754 51299.49214 51264.53995 42595.90172 42426.9315 50864.79878 37078.15549 43240.71488 54241.6014 52585.77644 55910.02741 58745.46902 40162.40731 37856.81955 37572.37389 61730.92936 48219.28644 38134.53137 34381.6532 53969.51498 42172.8876 58291.02303 56683.35284 63754.84248 65818.89394 47314.7438 59341.10068 57053.41628 57851.41046 55670.41769 46408.95185 55832.57811 57611.47933 161.7271443 174.9806939 172.4653217 173.1481953 177.4424933 171.3751914 LPE(O-15:0)_feature1 27705.27091 25876.12977 27555.76812 26847.51912 25238.54887 25182.15268 25988.88227 26878.00353 26165.09689 26418.57399 25903.79149 26640.07963 28061.3422 26042.74828 24768.59233 27333.01571 26680.63456 24917.3211 25722.33896 25107.59413 25736.41263 26101.24233 26822.54564 28003.12657 27482.64132 26103.00985 25171.35077 25528.8097 25981.47583 24811.07279 26977.04526 26320.30199 25025.52773 25556.99224 26131.17129 26613.44476 26376.08028 25860.95944 26019.21414 25391.79684 26536.37892 25983.51739 27137.53846 26374.2069 25544.45536 26228.32043 26470.60429 25301.88281 26395.07656 26033.32121 25571.39005 26831.96553 23324.67635 25623.10977 25733.30481 26331.97277 25546.78451 25509.6504 25884.42695 24848.22621 27023.35554 26051.14161 136.3329941 145.6102514 138.3580157 128.6641974 137.9730774 138.7834308 LPE(20:0/0:0)_feature2 26371.07147 26370.15273 29613.26335 35088.91335 32220.73383 33547.54068 30345.46882 31505.25888 33844.39481 30682.53933 42924.46854 34764.37887 32565.22301 28121.14215 48241.89908 37157.42087 36510.50613 39137.60365 32207.22413 35641.64905 38149.58291 34051.94347 35289.95879 28632.38556 30446.14454 34990.97159 29454.11781 45804.08639 46242.13594 30263.66633 35028.31702 31438.97736 29279.12084 29887.86773 31316.36601 28621.64674 34274.71529 40293.22658 32866.09735 35719.86373 32791.9362 33419.73545 30392.44532 34288.1471 47613.78839 48561.63952 34817.31562 36261.99097 56168.94173 42854.8223 23016.79116 23270.72992 25232.96047 24591.94873 38709.9581 34278.45035 35085.99992 34491.1726 38551.65633 35737.31927 33325.44378 37734.89884 112.1645412 142.8021356 151.5369258 115.5654461 155.9112781 154.7872935 LPE(18:0)>LPE(18:0/0:0)_feature2 51407.34552 66686.17461 65788.79043 81708.21084 79311.64501 82368.89436 73004.43525 69208.28812 69455.04944 61493.10861 92824.60695 79906.68451 74275.13409 58815.1464 112318.5976 110233.5802 78443.14352 84680.10341 70319.60799 88862.40342 76581.53983 74483.55306 75162.4658 64474.85677 74874.46351 80637.94693 56745.87131 103485.3333 109153.2572 76730.44064 74905.27601 68376.84427 69108.95472 62147.94441 68309.00392 59130.87496 78201.89577 86067.07189 69311.76904 76036.2839 83484.75231 77969.16049 74319.12132 74108.13341 122262.6242 100013.174 81679.51316 75903.91213 123239.4732 86648.8417 35066.27342 35170.99651 44259.92835 43754.73781 81001.38886 81241.35706 76707.75074 79121.05923 79926.53658 80255.84674 82931.9854 78931.88824 111.0858063 146.1564722 143.0316208 113.7587184 143.0134765 139.1748716 LPC(20:4)_M+H2CO2_feature1and2 93797.66969 83507.75789 82223.68834 113887.1471 103265.0984 87842.02503 122717.6082 111381.237 110208.3221 114834.4501 101598.8784 89149.05062 68825.3497 69548.34333 103189.5922 104009.5406 79881.521 90091.16861 86549.05775 74338.99404 125478.6467 83214.8485 119502.2124 98587.16223 105965.549 83487.90187 64111.53159 90770.10605 118537.9099 82247.53536 123411.3922 98882.70923 91787.35765 90908.84986 123715.0918 81693.94247 107238.537 149922.6364 112924.0281 102046.4624 82010.90095 76864.23658 76193.11113 92125.20443 113659.3277 111839.2679 87355.36367 87717.39135 144517.996 104435.6132 57497.7482 53329.54663 69772.98911 74399.50009 99517.98444 100256.5122 102116.8437 100254.5421 101992.4301 103153.987 104804.3774 98560.70822 255.9733854 418.0258003 397.8461119 250.1751727 379.4852192 407.9022049 LPC(18:0)>LPC(18:0/0:0)_M+H2CO2_feature2 607763.0279 639414.0232 663803.3184 799819.6537 748296.2587 771382.7928 766250.1687 749329.3279 733086.054 691617.5777 968137.7562 804699.9347 662261.1577 622007.3253 1055983.498 902110.2444 772594.738 890239.8512 793654.0938 826087.3531 819545.0909 704378.9328 840024.3305 753736.1338 717637.5332 890371.1072 679441.2124 966132.0084 1080666.666 737398.746 830897.3265 742738.777 720816.1703 633936.1417 720513.0769 704285.0917 834747.158 837893.2254 788403.7264 844953.1261 768914.2083 773756.1703 714929.3157 811648.8005 1054715.561 1119669.497 851868.0969 860687.758 1292057.246 903327.9219 530360.4798 541705.8965 518014.3427 549305.9626 833276.2422 777679.6543 786192.9388 805645.6655 815839.7977 805529.5744 832530.5832 823933.0929 116.4938032 148.3139296 157.3858602 120.0259742 161.9290512 160.7616837 LPC(16:0)>LPC(16:0/0:0)_M+H2CO2_feature2 414886.6299 378750.8906 456239.5983 515891.7052 526110.7803 552006.1602 460129.4889 442684.1748 464767.1041 390621.2501 419040.1178 357457.5648 325806.8847 313816.4058 452310.4116 532746.3087 390103.1762 443144.4009 361272.0629 415578.2763 574641.5229 482717.4287 463688.0859 411917.0885 460931.9807 370271.7679 294092.8613 482491.1594 476402.1643 363936.446 522264.3056 394454.3307 401604.5488 396759.8855 408649.8412 356397.1638 451013.347 505214.149 435663.2873 453684.2202 358769.2714 342998.2693 300734.2025 339445.6383 470836.3048 428043.0338 351538.6056 332678.1588 557085.7025 355602.3448 334196.3069 347499.9316 378966.7989 374106.5837 417777.31 432381.0611 416509.9861 425578.3558 406144.0426 404558.912 426993.9326 432472.9593 166.1573271 183.4450391 188.8575364 167.2693352 183.2607496 177.422629 CL(76:12)_feature1 131213.1779 223863.4355 234269.3633 242838.6047 158443.2284 194033.9451 132747.1534 145633.6081 181282.7456 184005.5013 211287.2552 147871.0596 104654.3627 116985.9084 245530.2671 239713.9644 171989.0954 175788.1571 231456.3701 246230.8158 234382.6266 169697.6462 226608.865 167950.9057 206031.5596 227991.0724 155408.1488 242910.6467 272942.1636 195161.3636 245124.8943 201660.7401 227481.4243 159801.3272 224489.6297 197635.4916 306046.5728 270860.8704 244332.5238 244686.5971 220209.045 219811.6881 206536.1757 206177.317 369084.9148 275435.6741 201972.5731 240650.2585 396458.0323 238678.1632 71467.83967 84637.2016 54452.15054 56272.93401 219588.3103 210592.9857 204244.6753 206271.4946 221712.7312 214934.2931 212806.1716 239021.6558 523.3250602 444.3863987 394.9250183 714.565043 820.4811883 506.7393428 CL(74:11)_feature1 133588.6254 100271.3423 158637.6477 82260.81289 117993.7695 103063.4245 94707.2916 171688.8923 130962.7429 90169.0276 92778.36018 135019.4076 207363.1512 82482.9186 90096.30147 92632.50502 117411.0638 76670.46334 76199.4949 135577.8335 143900.0618 145656.6735 98673.71422 126688.1561 80064.11943 106921.5498 68288.54368 127598.2465 142453.4573 115488.7768 107283.0908 127597.9808 70537.10984 173433.5501 68155.00315 105657.4534 69295.82217 59596.30736 126471.6305 74136.51501 128742.1079 127520.2283 109705.3623 105857.7475 69916.63484 69876.09868 104529.6443 59216.81697 66019.20565 77375.35771 126311.2109 142811.1124 134289.0701 180846.6504 134005.334 78084.06167 129267.7943 86957.8381 128607.1 138258.3276 131922.4328 183640.9674 214.9320383 243.8497349 215.4444311 222.220407 230.4925506 241.6227653 CL(74:10)_feature1 53744.20278 61274.92434 60198.05999 59218.48776 55025.44473 66618.93395 54572.31 54579.8287 60248.88292 61643.87698 69978.98324 65063.00183 50945.99159 53359.17236 57073.64921 34637.59915 51501.95587 37041.48478 56021.18653 65210.38554 74877.67801 57216.85977 75913.05916 63756.679 57034.11138 45291.43434 45889.76793 59504.25494 69897.33537 50060.98533 57663.74892 71672.69462 58166.50113 58696.98011 66111.05997 50964.39968 75282.42551 59141.32473 71004.06366 55936.6791 65959.33747 63056.14709 65475.85031 53183.37088 89130.16807 85969.4069 63933.6025 57560.76654 68265.50408 63572.9092 53176.6499 62796.22358 49276.01776 49215.71623 58648.23231 67113.6535 55721.00539 50764.56765 53073.98875 51454.8766 55429.53909 60550.71533 221.8380405 240.8337513 220.9975 222.5882833 230.6236085 241.6151614 CL(72:8) M-2H_feature1 897647.0899 1109087.113 1175357.352 949290.5483 984010.4423 1444930.494 1020195.298 1008879.093 1094713.239 1090412.878 952702.6699 925719.499 918005.4626 681375.4443 838007.6209 1251249.49 670723.1058 770183.6374 760320.5497 883119.8179 1031227.021 894205.3191 1136318.729 788218.2853 769638.3315 549573.8478 499866.4673 833526.8186 1029800.062 636145.2189 836849.9848 732129.5434 696621.7016 681720.3943 700776.6829 508647.258 753458.3814 563721.1134 712622.7944 641503.038 795549.9623 818070.9435 630545.6245 522476.179 826911.9631 752843.1395 565527.1048 522894.1937 892241.8091 764055.094 1364725.507 1421932.454 1242259.287 1254209.93 872300.9576 829955.1681 812256.7897 839942.5196 859628.64 830911.6035 942831.6095 919980.5145 1289.886541 450.2646518 479.7044045 1006.630843 1457.008721 1185.728266 CL(72:6)_feature1 42848.71647 56985.18726 51998.29889 54890.85156 46102.01493 59685.5797 41486.38268 42649.23814 49688.88571 55970.11566 57087.53485 44343.20654 31118.95826 33765.26868 50051.86868 57403.52803 35430.26662 41675.78742 47815.28709 48925.84383 57481.74088 38240.22094 54169.26311 44309.937 45865.49428 40425.68653 29758.52636 49840.81402 55503.85706 40286.78421 54481.87182 45481.9338 46542.50345 37546.23841 52899.85831 40871.69331 62019.77498 55793.09567 52346.46064 50098.88762 52275.71331 48330.4368 42862.0153 39202.64318 69438.39843 58461.11525 41375.42344 41419.77111 77488.67999 51724.69456 38070.72642 38716.5417 28846.02155 26352.85614 48158.9099 45443.96606 47528.43377 48881.14987 49034.7992 46438.53874 49395.25495 53958.0178 188.5757586 204.7232623 187.8612483 180.9869816 196.0440231 205.3875081 Cer(d42:2)_M+H2CO2_feature3 91294.45594 95532.1364 123809.1253 117795.8896 110216.9656 100797.4589 105050.7789 89218.33388 83941.89129 83814.99067 102599.6071 113132.9628 118603.8132 85393.30337 128829.7356 135213.4066 98162.17569 108815.7796 92454.20109 69781.02597 125951.5262 110165.2693 124035.9446 102709.6131 115089.1117 96648.04138 82369.15136 148618.567 130093.6297 102519.0417 125730.7669 80084.508 99018.0233 60244.49766 109631.6614 98925.94633 111640.8747 131528.4201 93146.16515 118601.8933 119985.2734 75184.50752 99637.23956 98526.38333 181242.2721 134438.8574 96844.92372 108079.5197 155515.5704 112182.0526 73265.40742 69075.43782 54202.90721 76530.71553 110279.503 75266.66581 93539.15605 103581.5466 91741.59487 69021.00627 53232.99423 79065.56902 167.4029035 197.4288261 202.2177409 154.058005 161.2483086 177.2448695 Cer(d42:2)_M+H2CO2_feature4 66695.20041 66367.5959 59974.66073 58813.71989 76715.61176 70485.65809 87579.83181 72285.88999 69164.96746 82916.12562 92016.78852 54541.44746 64274.53504 65170.33867 76169.89405 101608.1275 56561.63266 60857.48591 52374.1286 68531.20197 68305.90641 81555.82234 110363.7817 77135.72611 85282.47882 49839.02051 61121.43913 109438.9722 101004.9838 82769.81446 90960.69697 57930.27206 72175.23631 71475.78498 51596.69251 47387.92808 58843.52621 85434.55368 93504.08511 66863.90619 91562.3431 55636.67217 70216.3161 84994.81767 85278.85085 98019.44942 53699.29496 85223.08821 141142.3637 63356.15394 52620.33533 51605.52487 61256.71454 59238.59405 60795.11416 57477.85931 60669.06154 79651.70889 59168.441 53479.277 68653.03582 58265.43085 149.6332635 142.1701044 151.2111742 141.1418087 159.7141953 152.5516399 Cer(d42:1)_M+H2CO2_feature3 247527.1973 272638.3922 338531.2463 364863.4368 294648.4847 361059.695 306024.7632 271766.0897 278010.3345 284463.267 340468.3652 298185.3193 296860.4973 234612.8802 380226.9581 380707.0554 290582.6253 316883.6026 317803.2039 339004.3822 386365.9735 298090.6345 382411.655 277452.2568 317570.5653 282078.1171 235459.7352 420736.9976 393628.2952 353082.5421 378470.5007 321872.6146 317395.8794 275985.372 329201.3058 289211.6435 378341.4829 389965.9516 330914.9433 361825.7359 340295.177 315285.2391 285785.3398 310451.9615 497518.6139 378827.4557 288568.2402 307568.1826 551595.4903 343398.3378 205099.9508 205148.4001 222893.5268 213360.3489 315847.2865 304288.3305 248878.836 244033.7349 231646.3196 227771.96 221360.5742 224222.546 148.8963484 153.7769626 159.200256 137.800059 150.669142 156.2611586 Cer(d41:2)_M+H2CO2_feature2 29584.37541 34464.94612 47392.7627 42779.42626 40064.59396 48651.22365 35807.6872 33151.49232 31497.78957 35196.58506 53228.22301 47854.722 53751.76544 36758.5749 61971.15658 53574.75788 45032.48627 48376.20403 39653.44151 57085.0553 51561.66741 42956.83812 45621.89298 34193.80931 38275.12624 41844.24995 37847.02125 78080.3138 63179.21118 49300.24193 43327.29582 39533.85482 33097.31842 32808.02955 33000.08769 34624.08346 38689.3086 41434.52817 39931.05298 43042.91224 53682.25852 42058.97058 46501.23815 49800.52001 77351.10077 47630.27781 43835.80331 45754.10512 79472.48336 49137.25852 22885.43181 23464.60976 27018.52168 26100.18711 47550.73736 45363.72712 42547.26379 39079.0731 37225.95894 38457.14295 37594.57642 39741.47148 131.6372633 192.3497118 197.5807778 126.0017685 169.1369087 139.529177 Cer(d41:1)_M+H2CO2_feature1 90571.8323 107368.8248 143970.5274 128838.3868 113080.8613 150682.8831 109369.808 101311.5296 95271.65485 106854.6479 127502.6274 131291.8207 131799.7211 95758.15755 173875.5789 145348.9331 114542.363 134645.9334 119100.3554 156573.4384 140642.8518 127834.1773 140759.1104 103046.1138 119638.8236 132966.6924 104102.6194 194205.4077 170894.681 136413.9005 135480.3829 112809.9279 107815.2024 101666.1966 114475.8681 104720.2253 122056.1771 138084.9779 129105.6647 134232.9184 138702.0491 125553.1194 119359.016 140475.2703 190006.9301 134598.782 129056.5474 130356.4125 221658.1306 130184.8074 67546.6954 65254.68127 78710.0639 71126.87927 134461.9835 122624.4537 126195.1831 120021.0805 112327.5399 117375.1343 106211.1938 110658.8411 129.0279077 125.7286669 125.8736614 130.2904771 124.5306394 126.1010801 Cer(d40:2)_M+H2CO2_feature2 31159.27378 35954.16437 50656.00473 47097.12408 42655.19124 55332.37619 43666.58763 33212.3017 36518.95319 38800.60434 54954.48564 47260.4466 54847.18205 35772.40351 55727.81696 58205.19543 44800.97064 50455.94344 45768.23624 52740.7762 66785.83172 64667.72927 54638.62933 41094.2206 44262.13852 39771.06159 32909.21372 71797.46288 60381.54327 51757.96545 51936.09945 43172.46294 40068.2552 38979.84812 38834.11365 37893.09161 40729.58659 45252.46862 46295.91968 47531.5 49095.53871 52660.2113 44000.51798 51819.91082 82061.71239 51743.07408 45673.20065 43450.48309 80775.91033 51092.84449 27737.25836 25126.4427 30494.91782 28566.60858 52003.73344 49601.78921 45843.29723 45359.75626 44418.30945 46378.54252 46821.51939 44811.41185 125.922004 138.2236269 131.528815 131.3053134 137.5167183 148.0340097 Cer(d40:1)_M+H2CO2_feature1 91874.28684 100731.3347 140212.0034 133406.9581 123810.646 148230.1924 120413.0546 98110.97358 106813.2518 104458.1444 133183.8248 121949.6225 121158.7903 91911.36341 140367.8924 152165.1032 117226.4633 134660.8735 113300.4186 138388.4844 177825.1985 159926.9077 141249.1722 119612.4254 121126.8723 114076.7017 90086.02289 182118.8097 161705.6112 136825.4887 142915.5349 118473.6558 116585.0646 110105.5996 117665.8147 109875.5783 115964.3446 140139.9822 134656.0099 133410.4161 134766.742 127299.6395 114094.4843 123500.5981 211433.0439 133312.0079 124366.6934 116110.4941 203433.0165 128778.4181 72270.45333 75940.87976 89366.58107 81934.18759 140291.3879 127710.0323 135284.1108 125858.0252 127715.3736 128949.1318 132662.4489 132884.0819 135.192472 146.2309389 138.6191565 137.540212 124.9980873 127.6365034 Cer(d38:1)_M+H2CO2_feature1 66094.98034 72829.40058 107080.9752 104254.6527 101846.4282 127516.3682 86382.11482 70394.89219 80449.36009 78914.5934 92790.66062 81758.9646 91888.88104 63770.04263 97743.6265 105395.3356 82993.24784 96372.41295 76988.62001 92171.85253 118397.8546 120138.7934 118098.2797 89251.03172 87867.05128 69114.2093 57349.63901 119682.8564 111007.6659 94603.80958 106871.1803 86128.6628 88736.51491 89739.74885 89122.85783 74891.2856 81631.11818 97190.53942 92581.7027 97921.74148 86304.39894 85398.9836 79728.08859 79423.78712 134642.7647 92282.42117 70717.9665 76644.04708 142811.9558 90241.29507 56999.0099 55929.95774 67345.53174 61854.57926 94171.24822 93187.40911 91460.01581 91084.9956 83396.91604 89379.63896 83392.22654 83926.14664 121.8633934 115.9683673 108.2986813 123.0885391 111.9459528 124.3892886 Cer(d36:1)_M+H2CO2_feature1 66157.82848 64564.36289 82396.84126 93445.71634 91430.20244 107228.9175 86970.27219 79807.15962 82181.74923 79870.34141 90662.80004 81162.50264 83253.31058 59110.88608 99323.64854 94013.49952 70274.85593 73686.37148 71233.30771 75818.51886 100303.0558 85127.76957 114373.8972 81119.67319 91934.42249 63586.14387 57645.43486 116389.1095 111704.2544 79795.29842 104926.4549 82117.37465 77256.38326 84589.94339 90357.6033 72244.32614 86437.03146 108599.4836 87770.79937 104604.2634 87351.63499 77662.25987 73392.4163 65947.13989 126749.7155 93252.07159 65518.71406 74164.89217 148203.1397 81202.35423 55612.78398 51505.38483 65112.83736 62052.87494 91088.63752 86521.69423 84341.8159 85267.13244 85233.92781 84111.4579 82521.02749 79828.62024 192.7104586 181.8007463 181.6394728 191.4767059 187.5858554 225.4975025 Cer(d34:1)_M+H2CO2_feature1 57808.01516 54149.78214 60026.29498 69265.05763 62843.98362 54530.37782 68167.27101 62627.91105 66290.70469 54221.06853 69208.79025 66347.41961 28109.81544 55911.33302 65971.70235 68159.42596 55058.86982 55269.2728 56290.38122 61836.76188 76274.95316 65770.27482 78222.71697 67108.41004 69538.68354 52642.57226 45959.11701 57113.21715 74361.78732 59239.58933 72107.13508 60821.16271 64119.35276 56241.74188 63632.53717 60414.1783 60892.68016 77632.13568 69329.13663 71532.23814 71581.96986 66242.68296 61747.80573 58445.88292 83675.25798 76373.79454 56112.41099 60163.1176 95225.02509 71601.53763 43610.90108 47891.84998 44954.01954 46743.15769 65812.37447 61720.55021 66135.76544 61238.38376 55592.11807 61882.98823 65408.23095 65368.80666 163.193007 148.8194734 171.6488756 161.642291 159.39536 154.7523605 New_PS(O-40:7)>PS(O-20:3/20:4) 315573.2978 275900.8713 306804.227 295373.7511 293437.6837 310519.5389 315136.3085 311555.8313 313102.8526 281869.3475 296826.9279 291566.8188 264593.1358 279348.2916 290138.5644 287043.7887 277174.7211 292817.2969 272522.6596 269286.9853 288100.9758 294729.7617 327611.5705 282375.7992 285514.4335 265923.8125 250117.1535 287476.614 284848.6002 276381.5235 315744.9765 313432.5304 298412.9347 295368.7615 290383.7404 297231.6219 287994.8861 293012.1534 308330.0026 289575.1155 292151.1546 298620.0643 298402.3235 271561.2629 303190.0753 282107.6528 278277.1096 272682.1158 303354.0232 293687.3961 311162.6592 321613.7766 329978.2703 321948.6441 301074.6713 293785.049 294988.0923 290267.0262 293982.8837 289057.8088 281622.1586 299385.4809 213.8365534 261.2325778 247.7959266 219.723032 256.3943798 277.6470604 New_PE(O-36:2)>PE(O-18:0/18:2) 78827.15827 71198.99771 106705.7831 96981.60518 98286.96547 104043.0955 97104.98586 95681.70357 86443.50506 81893.23689 105368.5433 92419.06695 92526.65393 71847.44743 105570.782 111374.1124 93392.91141 105543.1883 80742.67738 108476.5693 87329.19822 81054.29462 99913.60344 71741.92851 92209.67765 73610.63969 76032.81203 109520.4542 124456.0106 87795.70882 99830.77901 90049.37612 78102.03697 82303.49502 85157.14745 66670.09666 95046.0071 78939.24839 87971.60791 87492.94786 94722.9307 89479.60782 95496.22364 84325.48887 132319.021 114550.0508 85879.19658 80599.14461 113959.9557 100825.5058 89715.78591 94614.29898 96475.69041 91116.52684 95820.02128 93668.03152 95350.58635 94347.99451 94965.6973 94871.88517 96887.30537 98653.52831 168.9737765 773.8220488 1073.051821 188.4313022 274.486314 181.9532262 New_PE(41:6)>PE(19:0_22:6) 31183.20909 47598.78538 52054.38756 48806.1487 33835.58761 54760.91971 47447.16712 45526.97783 35624.5241 36255.08139 26363.04185 21116.51656 28218.01002 22020.98627 41110.27472 42077.72978 31508.08161 24014.92284 20323.90141 30474.94725 60873.81095 44228.49425 64940.4786 51257.39257 53451.78152 31255.73703 19586.15218 38227.24065 36474.31044 29992.01635 40006.506 41565.94215 45128.215 48811.02765 51914.5992 46742.27914 40126.51812 52687.92227 52005.33349 50601.82903 26617.76535 30904.38296 27045.70459 28761.52396 35363.353 29935.11686 22287.29534 25773.60904 37018.72088 24806.12757 33220.75609 31978.60921 31107.07342 35320.76122 41668.69058 41028.40878 38234.64467 38041.91327 38909.78797 41068.99174 39214.50888 39869.96272 194.2473746 255.6054759 253.4278442 217.1234974 237.1344475 260.0377058 New_CL(74:10) 77336.43376 120470.6118 125830.4798 132341.5034 89792.57596 137733.0019 98011.05061 90496.8202 117376.3243 113360.4111 125031.7962 81594.84741 49410.13116 81082.61686 112405.6192 89333.3762 83338.46656 91679.82246 107930.9789 110398.2843 128226.8749 85584.92872 138351.0331 94284.22015 101935.6178 100490.7053 72734.20229 110651.1838 132251.7226 97059.72039 141341.9698 109029.4113 141192.5317 93961.24885 132096.9026 109730.7498 176355.6427 154193.7461 134941.9279 139664.0768 122038.9138 110856.639 104445.6503 108614.9108 173598.9514 140867.3333 120088.457 107000.7834 223214.6125 133233.6027 59660.03631 51987.99426 37960.61353 41021.0907 112314.7814 121815.7499 107580.6514 114612.241 123460.7054 131441.0366 136676.4176 140819.7444 403.2975069 460.2914262 272.468974 440.7608882 420.625524 421.7038361 New_CL(72:6) 48107.46733 71378.34574 47254.88977 71306.29491 48737.69476 66516.9613 48232.48128 55840.59508 56203.97283 61619.64815 46547.99147 54298.1598 30108.73965 41596.24026 65679.61895 59010.3259 44590.75092 58625.1492 46828.8053 65009.97514 73936.58017 44485.56 69483.58446 52652.14783 59497.22374 53208.46677 38377.22257 66532.9839 45323.05693 54453.45458 88591.32309 43882.48044 69149.67125 42101.8281 83723.43427 73829.70871 102410.6995 103774.5095 51572.40012 74630.47175 58920.47302 43391.70874 68392.24354 66502.65939 103135.6783 91657.46958 73406.22552 73195.09111 111360.2236 47936.98384 31783.54312 36228.04525 25611.93197 26559.10145 64073.73583 50325.55808 70973.22812 59762.59015 69521.27605 45973.53653 63956.6287 65220.3231 193.6944111 211.9823127 205.474512 191.5946814 221.4491003 227.4471678 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))_[istd]_M+H2CO2 C42 H74 D9 N2 O8 P 782.6374366 783.6458 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_[istd]_M+H2CO2 4.43 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[istd] C39 H68 D7 O10 P 740.5459166 741.5543 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[istd] 4.44 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(0:0/18:1(9z,d7))_[istd] C23 H39 D7 N O7 P 485.3366466 486.345 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))_[istd]_M+H2CO2 C42 H75 D7 N O10 P 797.6039066 798.6123 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[istd]_M+H2CO2 4.79 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_ and_PC(0:0/18:1(9z,d7))_[istd] M+ H2CO2 C27 H47 D7 N O9 P 573.3893166 574.3977 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_ and_PC(0:0/18:1(9z,d7))_[istd] M+ H2CO2 2.24 GTInternalStandard_PS(33:1(d7))>PS(15:0/18:1(9z,d7))_[istd] C39 H67 D7 N O10 P 753.5407766 754.5492 GTInternalStandard_PS(33:1(d7))>PS(15:0/18:1(9z,d7))_[istd] 4.37 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[istd] C38 H67 D7 N O8 P 709.5511966 710.5596 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[istd] 5.04 SM(d43:1)_M+H2CO2_feature2 C49 H99 N2 O8 P 873.7067066 874.7151 SM(d43:1)_ln_b 7.23 SM(d42:3)_M+H2CO2_feature1 C48 H93 N2 O8 P 855.6594066 856.6678 SM(d42:3)_ln_a 6.26 SM(d42:2)_M+H2CO2_feature1and2 C48 H95 N2 O8 P 857.6759166 858.6843 SM(d42:2)_ln_ab 6.9 SM(d42:2)_M+H2CO2_feature2 C48 H95 N2 O8 P 857.6759166 858.6843 SM(d42:2)_ln_b 6.79 SM(d42:1)_M+H2CO2_feature2 C48 H97 N2 O8 P 859.6918866 860.7003 SM(d42:1)_ln_b 7.12 SM(d41:2)_M+H2CO2_feature2and3 C47 H93 N2 O8 P 843.6598166 844.6682 SM(d41:2)_ln_bc 6.71 SM(d40:2)_M+H2CO2_feature1 C46 H91 N2 O8 P 829.6442866 830.6527 SM(d40:2)_ln_a 6.12 SM(d40:2)_M+H2CO2_feature2 C46 H91 N2 O8 P 829.6442966 830.6527 SM(d40:2)_ln_b 6.37 SM(d40:1)_M+H2CO2_feature2 C46 H93 N2 O8 P 831.6607566 832.6691 SM(d40:1)_ln_b 6.83 SM(d40:0-OH)_M+H2CO2_feature1 C46 H95 N2 O9 P 849.6621066 850.6705 SM(d40:0-OH) 7.12 SM(d39:1)_M+H2CO2_feature1 C45 H91 N2 O8 P 817.6441666 818.6525 SM(d39:1)_ln_a 6.6 SM(d38:1)_M+H2CO2_feature2 C44 H89 N2 O8 P 803.6287066 804.6371 SM(d38:1)_ln_b 6.17 SM(d36:2)_M+H2CO2_feature1 C42 H83 N2 O8 P 773.5799566 774.5883 SM(d36:2) 4.49 SM(d36:1)_M+H2CO2_feature1 C42 H85 N2 O8 P 775.5966566 776.605 SM(d36:1) 5.2 SM(d34:1)_M+H2CO2_feature1 C40 H81 N2 O8 P 747.5658766 748.5743 SM(d34:1) 4.36 PS(O-42:7)>PS(O-20:3/22:4)_feature1 C48 H82 N O9 P 846.5628966 847.5713 PS(O-20:3/22:4)_ln_a 6.62 PS(O-40:7)>PS(O-18:3/22:4)_feature1 C46 H78 N O9 P 818.5313266 819.5397 PS(O-18:3/22:4) 5.75 PS(40:8)>PS(20:4/20:4)_feature2 C46 H74 N O10 P 830.4946166 831.503 PS(20:4/20:4)_ln_b 4.17 PS(40:6)>PS(18:0_22:6)_feature2 C46 H78 N O10 P 834.5293366 835.5377 PS(18:0_22:6)_ln_b 4.68 PS(40:5)>PS(18:0_22:5)_feature2 C46 H80 N O10 P 836.5437066 837.5521 PS(18:0_22:5)_ln_b 4.92 PS(40:5)>PS(18:0_22:5)_feature5 C46 H80 N O10 P 836.5436866 837.5521 PS(18:0_22:5)_ln_e 5.22 PS(40:4)>PS(18:0_22:4)_feature1 C46 H82 N O10 P 838.5594966 839.5679 PS(18:0_22:4) 5.48 PS(36:2)>PS(18:0_18:2)_feature4 C42 H78 N O10 P 786.5284766 787.5369 PS(18:0_18:2)_ln_d 5.01 PS(36:1)>PS(18:0_18:1)_feature1 C42 H80 N O10 P 788.5439166 789.5523 PS(18:0_18:1) 5.68 PI(40:6)>PI(18:0_22:6)_feature2 C49 H83 O13 P 909.5488466 910.5572 PI(18:0_22:6)_ln_b 4.59 PI(40:5)>PI(18:0_22:5)_feature1 C49 H85 O13 P 911.5644866 912.5729 PI(18:0_22:5)_ln_a 4.81 PI(38:5)>PI(18:1_20:4)_feature1 C47 H81 O13 P 883.5340466 884.5424 PI(18:1_20:4)_ln_a 4.08 PI(38:4)>PI(18:0_20:4)_feature2 C47 H83 O13 P 885.5504566 886.5588 PI(18:0_20:4)_ln_b 4.78 PI(36:4)>PI(16:0_20:4)_feature1 C45 H79 O13 P 857.5179266 858.5263 PI(16:0_20:4) 4.03 PI(36:3)>PI(18:1_18:2)_feature1 C45 H81 O13 P 859.5337566 860.5421 PI(18:1_18:2)_ln_a 4.18 PI(36:2)>PI(18:0_18:2)_feature2 C45 H83 O13 P 861.5490666 862.5574 PI(18:0_18:2)_ln_b 4.9 PI(34:2)>PI(16:0_18:2)_feature1 C43 H79 O13 P 833.5182766 834.5267 PI(16:0_18:2) 4.12 PG(40:8)>PG(18:2_22:6)_feature1 C46 H75 O10 P 817.5025366 818.5109 PG(40:8)_ln_a 3.28 PG(40:6)>PG(18:0_22:6)_feature4 C46 H79 O10 P 821.5330166 822.5414 PG(18:0_22:6)_ln_d 4.74 PG(36:4)>PG(16:0_20:4)_feature3 C42 H75 O10 P 769.5019066 770.5103 PG(16:0_20:4)_ln_c 4.17 PG(36:2)>PG(18:0_18:2)_feature2 C42 H79 O10 P 773.5317266 774.5401 PG(36:2)_ln_b 5.09 PG(34:2)>PG(16:0_18:2)_feature1 C40 H75 O10 P 745.5020966 746.5105 PG(16:0_18:2) 4.28 PE(P-40:4)>PE(P-20:0/20:4)_feature4 C45 H82 N O7 P 778.5760166 779.5844 PE(O-20:1/20:4)_ln_d 6.78 PE(O-42:7)>PE(O-20:1/22:6)_feature3 C47 H82 N O7 P 802.5756566 803.584 PE(O-20:1/22:6)_ln_c 6.66 PE(O-40:8)>PE(O-22:8/18:0)_and_PE(O-18:2/22:6)_feature2 C45 H76 N O7 P 772.5287066 773.5371 PE(O-40:8)_ln_b 4.94 PE(O-40:7)>PE(O-18:2/22:5)_feature4 C45 H78 N O7 P 774.5450666 775.5534 PE(O-40:7)_ln_d 5.21 PE(O-40:7)>PE(O-18:1/22:6)_and_PE(O-22:7/18:0)_feature9 C45 H78 N O7 P 774.5450566 775.5534 PE(O-40:7)_ln_i 5.81 PE(O-40:6)>PE(O-18:1/22:5)_feature4 C45 H80 N O7 P 776.5597666 777.5681 PE(O-18:1/22:5)_ln_d 6.1 PE(O-40:6)>PE(O-18:1/22:5)_feature5 C45 H80 N O7 P 776.5597566 777.5681 PE(O-18:1/22:5)_ln_e 6.4 PE(O-40:5)>PE(O-18:1/22:4)_feature4 C45 H82 N O7 P 778.5760166 779.5844 PE(O-18:1/22:4)_ln_d 6.62 PE(O-40:4)>PE(O-18:0/22:4)_feature3 C45 H84 N O7 P 780.5912866 781.5997 PE(O-18:0/22:4)_ln_c 6.71 PE(O-39:7)>PE(O-21:7/18:0)_and_PE(O-17:1/22:6)_feature1 C44 H76 N O7 P 760.5272466 761.5356 PE(O-39:7)_ln_a 5.18 PE(O-39:7)>PE(O-21:7/18:0)_and_PE(O-17:1/22:6)_feature2 C44 H76 N O7 P 760.5273766 761.5358 PE(O-39:7)_ln_b 5.34 PE(O-39:5)_feature3 C44 H80 N O7 P 764.5598266 765.5682 PE(O-39:5)_ln_c 6.33 PE(O-38:7)>PE(O-18:3/20:4)_feature1 C43 H74 N O7 P 746.5133366 747.5217 PE(O-38:7)_ln_a 4.53 PE(O-38:7)>PE(O-16:1/22:6)_and_PE(O-20:7/18:0)_feature2 C43 H74 N O7 P 746.5133166 747.5217 PE(O-38:7)_ln_b 4.89 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature2 C43 H76 N O7 P 748.5286766 749.5371 PE(O-38:6)_ln_b 5.17 PE(O-38:6)>PE(O-16:1/22:5)_feature3 C43 H76 N O7 P 748.5286766 749.5371 PE(O-16:1/22:5)_ln_c 5.47 PE(O-38:5)>PE(O-18:1/20:4)_feature6 C43 H78 N O7 P 750.5449066 751.5533 PE(O-18:1/20:4)_ln_f 6.07 PE(O-38:5)>PE(O-16:1/22:4)_feature5 C43 H78 N O7 P 750.5449366 751.5533 PE(O-16:1/22:4)_ln_e 5.76 PE(O-38:5)>PE(O-16:0/22:5)_feature3 C43 H78 N O7 P 750.5449266 751.5533 PE(O-38:5)_ln_c 5.32 PE(O-36:5)>PE(O-16:1/20:4)_feature3 C41 H74 N O7 P 722.5131466 723.5215 PE(O-16:1/20:4)_ln_c 5.12 PE(O-36:4)>PE(O-18:2/18:2)_feature1 C41 H76 N O7 P 724.5272966 725.5357 PE(O-36:4)_ln_a 5.33 PE(O-36:3)>PE(O-18:1/18:2)_feature6 C41 H78 N O7 P 726.5440466 727.5524 PE(O-18:1/18:2)_ln_f 6.24 PE(O-34:5)>PE(O-17:1/20:4)_feature1 C42 H76 N O7 P 736.5279566 737.5363 PE(O-34:5)_ln_a 5.43 PE(O-34:5)>PE(O-17:1/20:4)_feature2 C42 H76 N O7 P 736.5279466 737.5363 PE(O-34:5)_ln_b 5.58 PE(O-34:3)>PE(O-16:1/18:2)_feature1 C39 H74 N O7 P 698.5122266 699.5206 PE(O-34:3) 5.28 PE(O-34:2)>PE(O-16:2/18:0)_and_PE(O-18:2/16:0)_feature1 C39 H76 N O7 P 700.5281166 701.5365 PE(O-34:2)_ln_a 6 PE(44:10)>PE(22:4_22:6)_feature2 C49 H78 N O8 P 838.5386166 839.547 PE(22:4_22:6)_ln_b 4.35 PE(42:10)>PE(20:4_22:6)_feature1 C47 H74 N O8 P 810.5075666 811.5159 PE(20:4_22:6)_ln_a 3.86 PE(41:6)>PE(19:0_22:6)_feature2 C46 H80 N O8 P 804.5542866 805.5627 PE(19:0_22:6)_ln_b 5.85 PE(40:8)>PE(18:2_22:6)_feature1 C45 H74 N O8 P 786.5080666 787.5164 PE(18:2_22:6) 4 PE(40:7)>PE(18:2_22:5)_feature1 C45 H76 N O8 P 788.5231866 789.5316 PE(18:2_22:5)_ln_a 4.21 PE(40:7)>PE(18:1_22:6)_and_PE(18:0_22:7)_feature3 C45 H76 N O8 P 788.5231866 789.5316 PE(40:7)_ln_c 4.56 PE(40:6)>PE(18:0_22:6)_feature2 C45 H78 N O8 P 790.5396266 791.548 PE(18:0_22:6)_ln_b 5.39 PE(40:5)>PE(18:0_22:5)_feature4 C45 H80 N O8 P 792.5554366 793.5638 PE(18:0_22:5)_ln_d 5.96 PE(40:5)>PE(18:0_22:5)_feature3 C45 H80 N O8 P 792.5553066 793.5637 PE(18:0_22:5)_ln_c 5.65 PE(40:4)>PE(18:0_22:4)_feature2 C45 H82 N O8 P 794.5710166 795.5794 PE(18:0_22:4)_ln_b 6.24 PE(39:6)>PE(17:0_22:6)_feature2 C44 H76 N O8 P 776.5224466 777.5308 PE(17:0_22:6)_ln_b 4.92 PE(39:4)>PE(19:0_20:4)_feature3 C44 H80 N O8 P 780.5541766 781.5626 PE(19:0_20:4)_ln_c 6.09 PE(39:4)>PE(19:0_20:4)_feature2 C44 H80 N O8 P 780.5541966 781.5626 PE(19:0_20:4)_ln_b 5.78 PE(38:6)>PE(18:2_20:4)_feature2 C43 H74 N O8 P 762.5079666 763.5163 PE(18:2_20:4)_ln_b 4.17 PE(38:6)>PE(18:0_22:6)_M+HCO2+Na_feature6 C46 H79 N Na O10 P 858.5254566 859.5338 PE(38:6)_ln_f 5.43 PE(38:6)>PE(16:0_22:6)_feature3 C43 H74 N O8 P 762.5079566 763.5163 PE(16:0_22:6)_ln_c 4.51 PE(38:5)>PE(16:0_22:5)_and_PE(18:1_20:4)_feature5 C43 H76 N O8 P 764.5235866 765.532 PE(38:5)_ln_f 5.03 PE(38:5)>PE(16:0_22:5)_and_PE(18:1_20:4)_feature3 C43 H76 N O8 P 764.5235966 765.532 PE(38:5)_ln_c 4.75 PE(38:4)>PE(18:0_20:4)_feature5 C43 H78 N O8 P 766.5398366 767.5482 PE(18:0_20:4)_ln_e 5.62 PE(38:4)>PE(16:0_22:4)_feature4 C43 H78 N O8 P 766.5398666 767.5482 PE(16:0_22:4)_ln_d 5.3 PE(38:3)>PE(18:0_20:3)_feature3 C43 H80 N O8 P 768.5544566 769.5628 PE(18:0_20:3)_ln_c 5.99 PE(37:4)>PE(17:0_20:4)_feature2 C42 H76 N O8 P 752.5222466 753.5306 PE(17:0_20:4)_ln_b 5.14 PE(36:4)>PE(18:2/18:2)_feature1 C41 H74 N O8 P 738.5074766 739.5159 PE(18:2/18:2)_ln_a 4.29 PE(36:4)>(16:0_20:4)_feature3 C41 H74 N O8 P 738.5082066 739.5166 PE(16:0_20:4)_ln_c 4.71 PE(36:3)>PE(18:1_18:2)_feature1 C41 H76 N O8 P 740.5229466 741.5313 PE(18:1_18:2)_ln_a 4.9 PE(36:2)>PE(18:0_18:2)_feature2 C41 H78 N O8 P 742.5397566 743.5481 PE(18:0_18:2)_ln_b 5.76 PE(36:1)>PE(18:0_18:1)_feature3 C41 H80 N O8 P 744.5552966 745.5637 PE(18:0_18:1)_ln_c 6.43 PE(36:0)>PE(18:0/18:0)_feature1 C41 H82 N O8 P 746.5702666 747.5786 PE(36:0) 6.89 PE(34:2)>PE(16:0_18:2)_feature2 C39 H74 N O8 P 714.5073266 715.5157 PE(16:0_18:2)_ln_b 4.84 PE(34:1)>PE(16:0_18:1)_feature1 C39 H76 N O8 P 716.5230766 717.5315 PE(16:0_18:1)_ln_a 5.49 PE(34:0)>PE(16:0_18:0)_feature2 C39 H78 N O8 P 718.5389566 719.5473 PE(34:0)_ln_b 6.38 PE(32:0)>PE(16:0/16:0)_feature1 C37 H74 N O8 P 690.5066866 691.5151 PE(16:0/16:0) 5.46 PC(P-38:5)>PC(P-18:1/20:4)_M+H2CO2_feature2 C47 H86 N O9 P 838.5960666 839.6044 PC(O-18:2/20:4)_ln_b 5.77 PC(O-40:9)>PC(O:20:5/20:4)_M+H2CO2_feature1 C49 H82 N O9 P 844.5621866 845.5706 PC(O:20:5/20:4) 5.34 PC(O-36:5)>PC(O-16:1/20:4)_M+H2CO2_feature5 C45 H82 N O9 P 810.5652166 811.5736 PC(O-36:5)_ln_e 4.85 PC(O-32:1)>PC(O-16:1/16:0)_M+H2CO2_feature2 C41 H82 N O9 P 762.5647266 763.5731 PC(O-32:1)_ln_b 5.65 PC(42:10)>PC(20:4_22:6) _M+H2CO2_feature1 C51 H82 N O10 P 898.5603166 899.5687 PC(20:4_22:6) 3.71 PC(40:8)>PC(20:4_20:4) _M+H2CO2_feature1 C49 H82 N O10 P 874.5608366 875.5692 PC(40:8) 3.84 PC(40:7)>PC(18:2_22:5)_M+H2CO2_feature1 C49 H84 N O10 P 876.5754166 877.5838 PC(40:7)_ln_a 4.03 PC(40:7)>PC(18:1_22:6) _M+H2CO2_feature3 C49 H84 N O10 P 876.5754166 877.5838 PC(18:1_22:6)_ln_c 4.35 PC(40:6)>PC(18:0_22:6) _M+H2CO2_feature3 C49 H86 N O10 P 878.5922666 879.6006 PC(18:0_22:6)_ln_c 5.11 PC(40:5)>PC(18:0_22:5)_M+H2CO2_feature3 C49 H88 N O10 P 880.6064066 881.6148 PC(18:0_22:5)_ln_c 5.39 PC(40:5)>PC(18:0_22:5)_M+H2CO2_feature4 C49 H88 N O10 P 880.6064166 881.6148 PC(18:0_22:5)_ln_d 5.7 PC(40:4)>PC(18:0_22:4)_M+H2CO2_feature2 C49 H90 N O10 P 882.6232866 883.6317 PC(18:0_22:4)_ln_b 5.98 PC(39:6)>PC(17:0_22:6)_M+H2CO2_feature3 C48 H84 N O10 P 864.5751166 865.5835 PC(17:0_22:6)_ln_c 4.69 PC(39:4)>PC(19:0_20:4)_M+H2CO2_feature5 C48 H88 N O10 P 868.6066966 869.6151 PC(19:0_20:4)_ln_e 5.83 PC(38:6)>PC(18:2_20:4)_M+H2CO2_feature1 C47 H82 N O10 P 850.5612266 851.5696 PC(18:2_20:4)_ln_a 3.99 PC(38:6)>PC(16:0_22:6)_and_PC(38:6)>PC(18:0_20:6)_M+H2CO2_feature2 C47 H82 N O10 P 850.5612266 851.5696 PC(38:6)_ln_b 4.3 PC(38:5)>PC(16:0_22:5)_and_PC(18:1_20:4)_M+H2CO2_feature4 C47 H84 N O10 P 852.5754366 853.5838 PC(38:5)_ln_d 4.53 PC(38:5)>PC(16:0_22:5)_and_PC(18:1_20:4)_M+H2CO2_feature5 C47 H84 N O10 P 852.5753866 853.5838 PC(38:5)_ln_e 4.79 PC(38:4)>PC(18:0_20:4)_M+H2CO2_feature4 C47 H86 N O10 P 854.5924566 855.6008 PC(18:0_20:4)_ln_d 5.34 PC(38:4)>PC(16:0_22:4)_M+H2CO2_feature3 C47 H86 N O10 P 854.5924566 855.6008 PC(16:0_22:4)_ln_c 5.05 PC(38:3)>PC(18:0_20:3)_M+H2CO2_feature3 C47 H88 N O10 P 856.6068766 857.6153 PC(18:0_20:3)_ln_c 5.72 PC(38:2)>PC(18:0_20:2)_M+H2CO2_feature4 C47 H90 N O10 P 858.6229166 859.6313 PC(18:0_20:2)_ln_d 6.3 PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature3 C46 H84 N O10 P 840.5748766 841.5833 PC(17:0_20:4)_ln_c 4.9 PC(36:5)>PC(16:1_20:4)_M+H2CO2_feature2 C45 H80 N O10 P 824.5444166 825.5528 PC(16:1_20:4)_ln_b 3.87 PC(36:5)>PC(16:0_20:5)_M+H2CO2_feature3 C45 H80 N O10 P 824.5443966 825.5528 PC(16:0_20:5)_ln_c 4.04 PC(36:4)>PC(18:2/18:2)_M+H2CO2_feature2 C45 H82 N O10 P 826.5609466 827.5693 PC(18:2/18:2)_ln_b 4.1 PC(36:4)>PC(16:0_20:4)_M+H2CO2_feature3 C45 H82 N O10 P 826.5609466 827.5693 PC(16:0_20:4)_ln_c 4.48 PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature2 C45 H84 N O10 P 828.5760566 829.5844 PC(18:1_18:2)_ln_b 4.65 PC(36:2)>PC(18:0_18:2)_M+H2CO2_feature3 C45 H86 N O10 P 830.5926366 831.601 PC(18:0_18:2)_ln_c 5.5 PC(36:1)>PC(16:0_20:1)_and_PC(18:0_18:1)_M+H2CO2_feature1 C45 H88 N O10 P 832.6081266 833.6165 PC(36:1)_ln_a 6.16 PC(35:4)>PC(15:0_20:4)_M+H2CO2_feature2 C44 H80 N O10 P 812.5444766 813.5529 PC(15:0_20:4)_ln_b 4.12 PC(35:2)>PC(17:0_18:2)_M+H2CO2_feature2 C44 H84 N O10 P 816.5756066 817.584 PC(17:0_18:2)_ln_b 5.03 PC(34:4)>PC(14:0_20:4)_M+H2CO2_feature2 C43 H78 N O10 P 798.5288366 799.5372 PC(14:0_20:4)_ln_b 3.8 PC(34:2)>PC(16:0_18:2)_M+H2CO2_feature1 C43 H82 N O10 P 802.5609066 803.5693 PC(16:0_18:2)_ln_a 4.61 PC(34:1)>PC(16:0_18:1)_M+H2CO2_feature2 C43 H84 N O10 P 804.5765266 805.5849 PC(16:0_18:1)_ln_b 5.23 PC(34:0)>PC(16:0_18:0)_M+H2CO2_feature3 C43 H86 N O10 P 806.5915566 807.5999 PC(16:0/18:0)_ln_c 6.12 PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1)_M+H2CO2_feature1 C41 H80 N O10 P 776.5441166 777.5525 PC(32:1)_ln_a 4.43 PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1)_M+H2CO2_feature2 C41 H80 N O10 P 776.5440666 777.5524 PC(32:1)_ln_b 4.54 PC(32:0)>PC(16:0_16:0)_M+H2CO2_feature2 C41 H82 N O10 P 778.5599066 779.5683 PC(32:0)_ln_b 5.18 PC(30:0)>PC(14:0_16:0)_M+H2CO2_feature1 C39 H78 N O10 P 750.5281166 751.5365 PC(30:0)_ln_a 4.36 LPE(O-15:0)_feature1 C20 H44 N O6 P 424.2839766 425.2924 LPE(O-15:0) 2.28 LPE(20:0/0:0)_feature2 C25 H52 N O7 P 508.3392266 509.3476 LPE(20:0/0:0)_ln_b 2.5 LPE(18:0)>LPE(18:0/0:0)_feature2 C23 H48 N O7 P 480.3082166 481.3166 LPE(18:0)_ln_b 2.54 LPC(20:4)_M+H2CO2_feature1and2 C29 H52 N O9 P 588.3297066 589.3381 LPC(20:4)_ln_ab 1.85 LPC(18:0)>LPC(18:0/0:0)_M+H2CO2_feature2 C27 H56 N O9 P 568.3613466 569.3697 LPC(18:0/0:0)_ln_b 2.5 LPC(16:0)>LPC(16:0/0:0)_M+H2CO2_feature2 C25 H52 N O9 P 540.3298566 541.3382 LPC(16:0/0:0)_ln_b 2.18 CL(76:12)_feature1 C85 H142 O17 P2 1495.964807 1496.9732 CL(76:12) 7.49 CL(74:11)_feature1 C83 H140 O17 P2 1469.946147 1470.9545 CL(74:11) 7.58 CL(74:10)_feature1 C83 H142 O17 P2 1471.963397 1472.9718 CL(74:10) 7.79 CL(72:8) M-2H_feature1 C81 H142 O17 P2 1447.966657 1448.975 CL(72:8) 7.6 CL(72:6)_feature1 C81 H146 O17 P2 1451.986767 1452.9951 CL(72:6) 7.78 Cer(d42:2)_M+H2CO2_feature3 C43 H83 N O5 692.6194166 693.6278 Cer(d42:2)_ln_c 7.15 Cer(d42:2)_M+H2CO2_feature4 C43 H83 N O5 692.6194166 693.6278 Cer(d42:2)_ln_d 7.25 Cer(d42:1)_M+H2CO2_feature3 C43 H85 N O5 694.6353466 695.6437 Cer(d18:1/24:0)_ln_c 7.5 Cer(d41:2)_M+H2CO2_feature2 C42 H81 N O5 678.6035966 679.612 Cer(d41:2)_ln_b 7.1 Cer(d41:1)_M+H2CO2_feature1 C42 H83 N O5 680.6194866 681.6279 Cer(d41:1) 7.34 Cer(d40:2)_M+H2CO2_feature2 C41 H79 N O5 664.5881566 665.5965 Cer(d40:2)_ln_b 6.95 Cer(d40:1)_M+H2CO2_feature1 C41 H81 N O5 666.6039066 667.6123 Cer(d40:1)_ln_a 7.19 Cer(d38:1)_M+H2CO2_feature1 C39 H77 N O5 638.5722866 639.5807 Cer(d38:1) 6.89 Cer(d36:1)_M+H2CO2_feature1 C37 H73 N O5 610.5406366 611.549 Cer(d36:1) 6.28 Cer(d34:1)_M+H2CO2_feature1 C35 H69 N O5 582.5086566 583.517 Cer(d34:1) 5.31 New_PS(O-40:7)>PS(O-20:3/20:4) - 818.5313266 819.5397 - 6.06 New_PE(O-36:2)>PE(O-18:0/18:2) - 728.5598466 729.5682 - 6.75 New_PE(41:6)>PE(19:0_22:6) - 804.5541666 805.5625 - 5.65 New_CL(74:10) - 1471.964807 1472.9732 - 7.56 New_CL(72:6) - 1451.995727 1453.0041 - 7.98 METABOLITES_END #END