#METABOLOMICS WORKBENCH efahy_20230425_000078 DATATRACK_ID:3975 STUDY_ID:ST002656 ANALYSIS_ID:AN004328 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 Kidney ST:STUDY_TITLE Powder - 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_Kidney 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control time | Sex:Male raw_file=90222015907.raw SUBJECT_SAMPLE_FACTORS 569A9229-04E8-414A-A195-FE9E8F1B66AB 90289015907 Group:Training | Timepoint:4 weeks of training | Sex:Male raw_file=90289015907.raw SUBJECT_SAMPLE_FACTORS 69FD4884-786D-4F2A-97B1-6174FBD25D60 90248015907 Group:Control | Timepoint:8 weeks of training or control time | Sex:Female raw_file=90248015907.raw SUBJECT_SAMPLE_FACTORS 3D5BC47C-BB3D-45A2-8DB8-D7ADCD51997C 90412015907 Group:Training | Timepoint:4 weeks of training | Sex:Female raw_file=90412015907.raw SUBJECT_SAMPLE_FACTORS 89D6F615-D17C-4EB9-88EB-A602940FF179 90416015907 Group:Training | Timepoint:4 weeks of training | Sex:Female raw_file=90416015907.raw SUBJECT_SAMPLE_FACTORS 9F3E1040-D409-421E-B635-2572DC20ED89 90283015907 Group:Training | Timepoint:4 weeks of training | Sex:Male raw_file=90283015907.raw SUBJECT_SAMPLE_FACTORS CDCFA3F1-07ED-4737-A36D-15EFEC325AA5 90450015907 Group:Training | Timepoint:2 weeks of training | Sex:Male raw_file=90450015907.raw SUBJECT_SAMPLE_FACTORS - QC07 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC07.raw SUBJECT_SAMPLE_FACTORS - QC08 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC08.raw SUBJECT_SAMPLE_FACTORS - SED_Reference_Kidney02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=SED_Reference_Kidney02.raw SUBJECT_SAMPLE_FACTORS - IPE_Reference_Kidney02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=IPE_Reference_Kidney02.raw SUBJECT_SAMPLE_FACTORS - SampleBlank04 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank04.raw SUBJECT_SAMPLE_FACTORS - SampleBlank05 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank05.raw SUBJECT_SAMPLE_FACTORS - SampleBlank06 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank06.raw SUBJECT_SAMPLE_FACTORS - QC09 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC09.raw #COLLECTION CO:SAMPLE_TYPE Kidney #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 ST002656_AN004328_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 90217015907 90218015907 90222015907 90223015907 90225015907 90227015907 90229015907 90232015907 90237015907 90239015907 90245015907 90248015907 90251015907 90252015907 90254015907 90258015907 90259015907 90265015907 90266015907 90267015907 90280015907 90281015907 90283015907 90289015907 90292015907 90406015907 90410015907 90412015907 90416015907 90420015907 90421015907 90422015907 90423015907 90426015907 90430015907 90439015907 90441015907 90444015907 90449015907 90450015907 90559015907 90560015907 90564015907 90567015907 90571015907 90576015907 90578015907 90581015907 90585015907 90587015907 IPE_Reference_Kidney IPE_Reference_Kidney02 SED_Reference_Kidney SED_Reference_Kidney02 QC01 QC02 QC03 QC04 QC05 QC06 QC07 QC08 QC09 SampleBlank01 SampleBlank02 SampleBlank03 SampleBlank04 SampleBlank05 SampleBlank06 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_[iSTD] M + H2CO2 81585.58917 84787.39402 83595.66385 84588.34766 85638.80542 88098.12223 87482.98499 76004.62923 73172.98077 85546.28534 78845.22941 78972.17259 91299.40209 80447.16284 80765.99329 85817.76265 78841.82546 81118.72518 79033.7955 82342.1462 73601.25127 81262.946 75232.25928 76794.74713 78373.69293 77228.50825 76300.88979 86707.90552 75140.14137 85486.31808 81365.43032 77019.47109 74864.01248 68753.11874 74994.39574 83344.90309 77090.23895 75515.50954 77782.4172 74191.9676 83664.35485 79547.10472 77083.33967 77288.10765 83212.34123 78420.23302 74077.12603 79224.99701 80256.42734 79375.31812 80746.45872 80117.98876 81567.22427 84744.11271 80299.93756 81814.90091 80316.28772 81250.4662 77434.1569 76451.74688 82366.1962 85858.04874 77327.98618 161.308651 149.6359097 151.8590058 133.1170295 136.137783 140.4026406 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[iSTD] 187082.6035 187623.2136 198580.1276 188729.3898 191917.2295 190454.0306 188826.1302 164322.3115 178997.7894 191252.0313 175100.4986 178319.3232 204634.3108 176494.1336 185806.2464 190298.7688 197172.4902 184666.7861 181563.1643 174436.2261 179123.7479 175035.9097 173223.2042 177347.217 177289.8377 184081.8331 186217.9991 192803.3127 172179.8548 200089.7689 192463.0596 174010.7443 175874.6092 177054.8457 180020.1168 189281.0679 173794.8573 185740.3233 183744.7826 189286.6838 182982.8812 178648.3198 183020.2377 185528.9344 180986.568 189924.1299 190642.6877 177903.7209 185669.7579 180830.63 178891.4119 180478.3041 183528.6654 189972.8417 185416.3144 187081.7519 185319.5796 189493.6388 180874.8638 182140.5777 191977.9462 189958.2861 181107.7656 196.3075205 195.5470802 181.539816 146.9697527 150.1296742 154.6532084 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[iSTD] 39726.7832 39420.2033 40285.92495 36258.81476 38155.36289 37121.12793 40992.88549 32714.08131 38075.13199 36808.67519 34966.45371 36876.5201 45927.01077 35935.83025 35811.83189 39622.48548 39293.08058 41174.77302 40407.73531 36536.68702 37381.74598 36616.34448 35178.19941 38904.80584 38071.4816 38139.23257 36086.93072 38777.62385 38204.51335 39426.9232 40185.38954 35801.92499 37758.0912 37896.45724 35470.6447 39186.87395 38599.87292 35083.90782 35677.97738 34764.85018 35417.99206 37641.96494 35338.65014 33700.19013 36969.004 33979.3241 38219.5029 36121.54083 37391.22591 37785.09809 35670.43617 39360.82007 40730.21261 40291.72776 37722.81951 36401.77281 38249.51114 37484.85355 37236.25479 38178.42474 38592.27935 36976.27811 36693.04247 1237.862304 1167.633189 183.8594844 617.0365708 660.8565325 819.0555166 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(0:0/18:1(9z,d7))_[iSTD] 47739.79752 49659.49362 50743.67542 49055.4965 48334.31681 48902.43615 47027.71839 44617.54705 47542.93433 46898.44951 48431.79586 48138.56264 55971.28728 46688.21733 47562.68502 49299.1928 49194.4028 48982.16252 48425.84369 47372.14258 47456.66321 46953.4985 47262.89152 46473.45374 44417.62168 45230.56152 49790.65867 50246.21172 49478.10983 51445.14602 49783.02038 48903.38846 48183.61258 45469.38401 46582.65066 48589.12987 47327.6145 47720.56991 46671.19592 50032.44389 48850.3561 46425.74346 48037.37864 47885.45564 49009.30749 48238.31459 49966.40211 47087.94984 47684.22613 46311.35559 46230.2963 47795.06861 48538.42274 49250.74146 48914.81047 48712.83402 47654.5357 48983.18908 47164.85997 48846.04829 48257.72802 50264.41245 47423.96916 114.9619715 128.5184377 128.8948005 121.3720918 118.8764522 127.1099003 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[iSTD] M + H2CO2 438025.4154 448145.1408 426747.7764 452761.3943 506824.1718 446391.8452 457675.9617 418312.7983 408428.533 436734.1817 419028.7998 420854.3518 500495.316 454535.4439 427373.7304 487405.3686 424593.4026 427368.5038 456602.6736 441729.775 427000.6258 446627.7477 439977.3452 422796.7917 436008.4653 422081.8677 380638.1005 449574.6439 420870.8912 461693.2779 409535.3226 443111.8186 424280.4726 367249.0633 403807.5791 473426.545 421008.6297 418810.4462 414816.6916 408149.4571 413040.596 430674.403 418650.1393 404957.5654 428707.9506 458053.8197 412803.7044 437077.4628 419316.7536 453588.7473 400121.2989 426866.0941 428799.3476 447491.5011 454435.7548 415216.6778 411913.54 441832.6312 450635.0698 440135.0901 439576.0986 436603.3329 420239.2334 243.7775448 205.1858348 206.0544145 165.9346675 189.9794941 189.484446 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_ and_PC(0:0/18:1(9z,d7))_[iSTD] M+ H2CO2 112060.7074 109274.8245 112243.762 110921.6368 108893.6929 113927.5302 106121.1296 105682.2201 104779.6188 109833.2592 108927.3098 105592.22 124317.209 108757.0549 109794.898 112551.6613 111596.3248 111268.8767 105449.2345 111731.9797 105050.2334 106625.8304 103807.1593 108845.5381 110561.8664 109917.4052 106270.2812 110340.9171 112284.1914 113688.8735 113457.3137 109917.0672 113047.3777 103770.475 111236.7371 110378.5322 108337.7676 107160.0865 111632.3647 111910.7381 108548.1752 104604.2892 113240.0323 104139.7389 111737.9193 109309.6878 109897.6246 106139.2884 104117.8121 110628.7319 110719.7631 106288.3949 112339.0872 111322.1904 107797.5033 105871.5999 107187.531 112254.9552 106734.9872 106640.8555 108604.8659 109770.2172 105257.7295 156.7015265 150.1607248 150.4957154 135.6281051 137.3474212 141.9296893 GTInternalStandard_PI(33:1(d7))>PI(15:0/18:1(9z,d7))_[iSTD] 30191.37148 20256.10249 25073.95331 26026.72022 16670.2906 13550.20603 17310.66695 13524.90574 10622.73481 33208.4404 18495.7586 16896.30744 31359.36992 19056.83342 13257.66637 28147.30172 17617.84937 17280.36931 17065.36148 12888.3086 29430.50533 13835.28631 24605.32223 21097.3433 24165.02893 20919.05899 17913.62284 43550.38142 30876.19156 26656.98104 20628.57306 12578.34372 9542.498668 11385.19518 23960.7475 34217.80954 23819.40579 28418.97098 28680.96472 40826.66864 16457.79819 10011.88928 25709.61136 13198.85808 24028.2365 15932.53859 22566.34941 21653.49766 30268.63788 13750.62587 11376.63383 29170.63514 11962.70492 22857.30813 21941.13896 21665.84645 21909.19816 25949.86598 17121.29105 19283.65932 18883.71653 21629.5141 26953.08122 109.6103851 119.1213873 119.917889 143.7332381 147.6319119 158.162564 Sulfatide(d44:1)_feature1 20916.36738 22507.6175 48741.9458 42708.17625 92982.39778 13417.62842 19384.32931 30875.40688 60954.78337 14972.32709 19061.71313 55823.91633 18471.22792 44463.87727 66659.85351 51348.70479 57049.36956 29036.79377 32837.23687 31656.31018 50106.7778 13842.59276 38276.00887 25334.74267 38049.14994 43616.13827 47087.09018 62616.563 44736.37803 78321.28331 27467.41003 37944.31849 21041.30804 45098.20968 25038.86487 68689.61584 23827.7223 33621.84076 48974.25588 46449.51026 26819.41964 24310.36195 18467.29601 46270.6972 40519.85396 29285.33627 28861.50924 36575.72825 48960.75754 31093.35121 13010.95827 13968.38123 925.2694889 1334.400089 39965.94021 38023.80799 39930.57448 38607.21519 37288.06628 38830.15157 37824.71014 40401.96314 39430.29746 113.8001769 145.6524538 128.2943511 126.763255 135.3659586 140.264753 Sulfatide(d42:2-OH)_feature1 16393.00094 25270.72117 36229.86423 35211.93441 23596.6679 27924.20772 22261.0996 31182.6071 35223.97736 22601.3997 26603.35631 37386.76236 24418.20812 28297.16257 36648.24731 20818.21942 32160.70995 45797.57166 21286.41552 31626.11908 26141.53609 27998.05501 33641.28552 26656.69314 21638.51924 41795.09671 39617.66749 38672.70475 34844.86846 30236.95473 45033.40157 31982.96445 39451.20389 41733.73003 35679.76636 27635.95429 26888.46184 31661.31597 40157.85423 39720.82604 34523.70658 33159.75926 42447.02288 38907.1389 31703.0783 45450.44049 46801.86527 42425.5035 36699.57517 30459.15142 42911.02936 43613.10663 24295.24484 25381.38196 35208.37686 33202.49997 34351.16057 31423.36262 33266.58531 32565.06655 33537.3714 34126.33671 34646.18092 207.1359995 195.8552942 202.0718017 177.5236823 187.7709077 181.8893557 Sulfatide(d42:1-OH)_feature1 150944.3229 188176.7382 296151.168 272095.9103 174943.7568 261006.2601 179269.1683 262592.4989 245550.9827 171964.8289 185078.2401 422811.3359 278653.0202 314897.6768 398419.4357 262171.9363 319896.3659 512797.4292 204034.0527 304391.1096 195119.5121 200267.372 174640.8497 216372.479 209021.3953 426519.1381 337580.885 403192.0373 405295.692 377275.8564 370015.4213 259345.0777 379635.7292 287597.3948 263423.579 203733.7642 216638.2962 219056.7331 367783.452 268847.9397 343963.0795 386799.1966 432169.4998 382367.5776 316299.053 463519.9704 383449.9999 391298.2976 377664.7477 338424.931 405913.5457 404840.4221 241080.5261 258841.9962 303926.1871 326550.7939 332376.858 326741.9968 326396.3467 318494.2839 315056.3793 319059.0577 321154.9896 93.91451432 121.0545636 107.9328967 105.6384949 116.1306927 127.9273289 Sulfatide(d42:1)_feature2 24824.08901 28589.24343 55851.19902 56477.08896 75152.07563 25578.02001 28749.6839 46818.88146 68848.26983 25374.92896 27128.40097 65887.83696 28534.85291 45674.95211 69420.11279 56453.48443 55557.48367 46559.30723 35209.22934 44742.02407 51687.93542 22920.60675 37952.78225 30334.28303 32989.89872 52183.92458 50384.79761 73943.65569 43032.75261 79250.13049 37411.10403 43085.36082 42976.74706 55990.67903 38182.51965 66726.57623 30582.2557 38690.9266 58257.60549 45331.12037 43141.22248 44576.40741 39802.02738 51593.01793 54120.2142 56596.767 44141.94754 50493.68909 54886.31503 44536.3824 25608.55771 28899.48466 8102.436199 7200.608435 45610.96698 44772.549 47611.56857 48317.52896 43058.89329 43939.22764 44181.66976 47313.41571 47040.72842 126.4261929 152.5818864 161.3014163 126.9334132 143.2544331 145.9251862 Sulfatide(d41:1-OH)_feature1 113924.123 117894.7265 184366.0077 193923.1704 127526.8557 189181.7733 142719.3513 219453.9398 187425.6993 131543.9998 142940.5791 291408.461 193224.667 213226.7179 260660.7923 153141.1344 215539.2786 327807.6482 137088.999 213523.8184 157635.8102 145856.8322 150457.002 153787.7491 154815.554 297924.9819 263405.6321 255649.2703 266821.219 246781.0929 299716.2629 228046.7781 285496.3724 244649.5285 222842.9179 141574.3971 188435.5052 196521.2434 281005.4486 221764.273 266124.7335 307609.6303 310483.3173 284519.3378 230069.7783 314162.4566 296856.482 319520.0826 264447.3419 235206.9939 326746.715 303098.045 195842.5368 199657.594 233571.6022 231175.3325 236664.7542 234840.8574 237126.0506 229669.6461 228949.319 239687.8029 232966.0203 161.4724659 138.395929 149.3436603 139.026639 141.276381 139.1474769 Sulfatide(d41:1)_feature1 11727.21024 13201.76394 22879.88116 23914.74949 21358.60652 14439.23949 15328.87277 23924.05491 26280.1049 13925.49154 14524.20692 29910.89547 18744.75899 17618.76312 31051.98855 19065.15685 24328.76387 31106.76742 12732.74704 20204.9174 16756.23793 13987.77047 17750.69775 13892.84137 10925.59694 24185.13265 23148.08277 29249.79712 20541.02803 22971.35718 20494.93438 20112.08263 26154.85273 29870.92321 20740.96531 19533.12708 14364.36193 18473.63473 25783.79885 23184.17821 21290.10606 24148.7337 26901.93874 27102.91853 26510.09774 32168.06279 31307.6609 27606.5423 22746.57596 22219.91335 16825.36468 15270.99688 6431.712258 5582.233049 20607.25722 22247.36217 21167.64002 21497.50526 21938.48519 21988.40475 21915.99674 20619.38112 21269.2266 142.7785072 165.0570868 171.6468304 128.6104414 156.299655 152.7836936 Sulfatide(d40:1-OH)_feature1 96281.56184 103866.8737 179693.155 166606.6603 124005.1332 160183.4424 126712.3824 186108.6134 168638.3247 118504.1097 133365.7574 235271.4305 158891.6991 175146.8573 225456.4083 136550.9486 191904.8213 266427.2757 108406.031 183844.1079 135194.1643 116965.6799 134664.876 131132.547 140050.6611 253998.4947 210590.2273 232005.9998 219520.5847 213426.7831 257735.6052 181819.8814 217482.4428 202707.9096 190189.7919 135711.2339 161177.7197 168432.4627 219007.0158 174644.9318 227617.5137 244594.4103 281541.0821 242406.0309 201373.0111 279227.2665 250655.224 263441.0552 215504.6024 211645.7284 274509.5915 251881.4371 181962.9088 175051.7344 197923.7172 203377.5724 198396.9397 195775.8479 201265.6083 194020.1857 207502.3461 194929.0345 199689.0707 190.9897533 176.0671816 169.8339957 159.1704226 152.3263022 154.5256414 SM(d44:2)_M+H2CO2_feature1 72262.32447 57946.01182 62639.86155 69091.91621 52562.1611 76036.50189 85841.28424 92800.14066 104269.367 69209.7397 54291.72199 57276.55211 55422.9194 55238.3477 44129.5102 31097.13226 51558.62951 54539.87943 54766.00529 49794.55163 94752.60627 74388.70349 74982.74349 99361.65239 94539.77414 50282.69992 75512.6216 52859.35705 67091.95756 45773.62896 112583.4985 86432.8235 86653.00439 107974.8555 84752.21378 60606.6902 88321.52755 98004.97901 85390.00011 101150.7755 53745.09951 42826.64685 54775.38913 52852.01581 44930.68458 53016.8851 69635.07229 57249.11727 50056.3497 45839.14493 83885.74875 81150.44975 101440.9629 100822.9608 75967.38436 72582.27376 65393.7711 72761.25172 70025.5944 69860.66343 71103.18582 72376.90547 73980.50943 234.7718048 209.5689993 246.8031012 214.921582 227.276363 255.1653693 SM(d44:1)_M+H2CO2_feature1 187374.1326 166542.239 237406.0649 235066.7545 215430.5302 274577.9358 257818.1833 311925.805 284043.929 221811.39 124248.9932 131569.1305 142077.0408 121469.975 119533.3935 93549.8743 136994.182 131279.3936 113860.602 133831.5167 263127.3407 227167.1059 249235.7773 243597.7479 239604.8777 128113.805 190950.6535 117525.726 148537.9873 119191.7713 321485.1426 250420.745 248736.2241 353972.5733 259582.8543 186563.4646 237693.2664 250487.7606 249956.3397 322338.6127 123086.0526 103269.9929 116953.3961 128307.0979 97401.252 113174.646 176164.2333 128750.0095 102179.3638 100860.4507 260677.4512 243050.8801 263270.0645 242302.1049 197758.8097 201794.2616 201665.9598 195149.7312 200965.4516 189409.8283 191055.8225 199510.4868 208396.8358 257.4792379 226.3782579 278.0927971 227.8558438 237.6370221 263.9925487 SM(d43:1)_M+H2CO2_feature1 92334.23691 90795.13499 122940.8532 137513.1141 108983.3281 133766.7137 120896.846 148727.0161 135627.6204 101015.6415 74502.79791 81896.8054 94525.1791 74412.92058 87025.22421 62514.26407 93492.06912 85469.73198 68337.7219 91834.18462 135982.7184 124392.0491 123722.6917 117513.5077 121146.5495 83741.87412 120032.1113 79645.82151 98688.14345 73952.89779 158698.4437 135520.3269 114718.1286 163100.1602 125088.302 91490.81154 108754.6584 127401.0265 130875.6563 149367.7034 77663.65765 69656.54325 75946.4691 85512.09544 66973.66512 74836.67331 105923.0629 87620.29395 77819.77053 62247.6551 127594.5571 112889.7739 136130.1359 122967.4386 110295.1336 110439.4508 106310.2431 107903.394 108644.2228 104025.9293 105474.4791 107055.6165 115122.483 260.8871613 320.3576517 233.2161061 238.36328 198.7349231 208.4242863 SM(d42:3)_M+H2CO2_feature1 588808.0675 558127.0274 628093.5866 627225.2547 562026.0919 687771.2354 695920.4168 747492.5801 762835.6732 590731.392 654880.2048 695188.6395 740193.2798 634094.1804 622276.4032 498513.581 701290.8736 719055.1783 653712.5935 703972.7569 724760.5182 658659.9862 665397.1525 695990.0715 660372.6424 716930.0496 878122.2591 611800.2021 757987.2309 540538.2961 818910.24 658693.3902 662890.6241 807181.8728 664272.5475 494666.7416 661470.5645 706878.0437 651790.0703 826015.3181 647317.8789 570728.9496 656898.4184 648266.7796 542622.1376 620202.9904 803094.159 735860.7057 667396.9202 475695.5095 605829.0978 644892.2935 666106.3894 660422.6877 646118.1934 653770.6509 691803.937 663433.6708 664931.9459 657438.8427 661554.0682 676230.1368 646314.2641 254.7860332 258.6425533 338.8574038 221.6948796 229.8071268 240.4794025 SM(d42:2)_M+H2CO2_feature1 1497791.158 1547856.545 1799319.382 1829310.671 1598671.857 1902147.873 1917202.043 2134980.936 1963696.247 1836862.689 1865936.98 1922305.52 1891881.422 1665298.241 1686632.851 1206703.258 2107531.459 1924306.209 1702691.612 1818385.228 1940108.883 1761326.043 1989277.212 1889708.457 1748003.729 2025167.686 2127071.33 1541938.992 1867915.847 1445046.476 2022170.612 1641528.926 1835688.491 2135909.625 1885934.475 1570594.51 1653299.113 1790716.271 1738421.731 2393184.889 1596992.709 1442180.689 1798716.073 1558195.648 1430260.921 1664328.16 2093517.571 1814480.715 1784943.575 1380089.213 1632641.844 1628599.375 1575981.522 1582063.481 1868261.701 1894078.183 1935591.768 1903123.752 1749533.12 1901246.076 1876776.867 1917873.708 1886849.969 155.4294076 166.8117009 180.9947723 317.1363405 209.0024228 189.0136989 SM(d42:2)_M+H2CO2_feature2 2826740.548 2768333.697 2713758.857 2818626.647 2270649.503 3335544.017 3626441.369 3145218.582 3695990.444 2708181.515 2615362.373 3281974.494 3034532.96 2969705.402 2712584.646 2579451.978 3114036.159 3006241.224 3089342.047 3233611.403 3700478.822 3036128.489 2964984.005 3695483.464 3708704.773 3043961.7 3973552.198 2789910.303 3406087.745 2634474.609 3878760.72 3379260.607 3307207.918 3868941.992 3292491.172 2406398.668 3550159.662 3704138.758 3157842.877 3598641.729 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6277388.486 6451345.88 6222365.519 5955933.047 6164206.078 6007481.048 6127293.213 6266433.781 6250095.237 6270160.321 1205.418195 210.6681155 268.299031 1141.78722 407.364225 468.6554714 SM(d40:2)_M+H2CO2_feature2 306259.3854 325169.1005 329022.8837 351717.5711 262325.3458 403193.564 376893.4165 346524.9742 460435.9782 306618.5881 355529.8629 418014.6801 432958.7749 379718.4172 364889.9162 287503.786 480208.4382 386110.3313 412221.6442 458854.4139 400796.2454 355734.7181 346106.3968 436773.8648 405913.817 413896.5333 554275.0864 370468.4265 488512.4023 353752.0297 442468.2336 375732.3901 373852.3408 459778.9683 365246.6897 248426.3855 375013.9654 423974.6387 359999.2028 403441.9643 425271.6732 357580.7337 414570.8935 447351.8002 321169.4421 410162.8995 533696.9969 450509.0427 454342.254 304812.8942 291532.2836 275020.7444 341726.5808 335033.1081 381927.0931 382969.5646 383888.8733 392944.7451 395054.7407 385427.0943 378334.738 403277.8984 371031.2765 225.9598553 745.0148812 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153355.1815 161935.2697 158021.9836 94554.7109 116219.5934 152293.0114 143561.9015 140683.8144 153615.1683 103998.4573 152969.3543 156632.4784 155163.7355 162438.354 158662.3329 111440.2105 117128.6942 160746.5148 244.0475807 232.4644919 268.6883758 195.0465621 199.666425 192.9962232 PS(38:3)>PS(18:0_20:3)_feature3 46975.13807 45929.49105 79961.42759 54975.36786 43878.80342 67186.77057 47379.9039 48378.86693 60991.84588 48620.28802 64566.43728 68876.29983 73424.87581 54275.59328 59788.54312 61322.01073 81161.99885 70925.58478 51654.11661 63824.49198 48285.54245 37586.27025 47802.63194 48351.83938 45808.98701 60219.23843 85355.41086 72746.07676 70196.09927 63856.93857 67282.50265 47754.9606 40985.19324 55665.81892 45621.3968 37016.18431 43936.78912 44017.84241 44778.64084 56657.51833 61421.37496 49316.31738 65652.12196 64373.60168 46579.60498 71457.76222 80275.38275 50435.77598 61194.86822 41232.19376 52880.31565 57620.9516 50791.58132 46751.04225 57269.66706 53817.89707 59761.49776 57530.42406 60092.46412 53474.10114 58975.41871 56556.10298 56421.07144 221.4689284 288.5197518 269.0242536 189.3434888 247.3821341 282.6606662 PS(36:4)>PS(16:0_20:4)_feature1 434433.787 369948.0264 508439.8738 437419.3429 325969.5403 467324.2779 437353.915 537561.2295 594140.3442 484023.7962 570123.5212 574824.7592 514529.7703 436322.6138 455210.7197 402495.2262 651703.6867 599520.7889 473636.3204 527157.0982 472035.5626 360890.7542 442996.1227 511311.279 418521.9581 568645.7352 761602.565 540872.7655 642766.1706 506313.7309 713259.8458 517602.5054 396989.1822 612773.2936 529717.0146 341422.4118 548965.3074 489000.7764 425582.3396 580478.5305 604990.5064 464068.4278 563617.8526 613114.8019 414143.2616 625544.2266 790466.4153 571323.1108 543329.8386 375259.8523 504640.3322 525121.3166 490145.4596 507415.4509 515625.1241 514123.5878 510670.3944 527863.8678 509751.1119 514829.0559 516558.9063 523901.3966 507949.9213 194.9561284 190.6671012 191.7293483 157.49757 159.6809465 163.0964515 PS(36:2)>PS(18:1_18:1)_feature3 24794.3964 29541.71093 41426.06759 38110.7099 25700.49911 31453.82711 29093.10616 38588.63732 51475.0309 29112.05141 32707.36198 52621.39851 26687.1125 32755.68086 29326.19961 25093.27319 54030.4104 46881.46874 34998.74551 27829.68375 33185.02421 31058.65711 36479.68292 25566.22791 20763.65717 42565.03542 28907.89177 50982.6725 51721.00384 35284.22875 51331.80168 35566.83427 33695.48772 31986.60767 41878.4809 29164.25104 31148.22407 37623.00538 40350.92848 52000.31029 40612.71959 34406.05166 45867.37553 51073.20035 35134.29427 37445.0475 52062.04369 43308.05958 47764.87479 24561.28568 32698.08554 37914.21555 25600.48133 23197.87466 36852.4337 35669.379 37504.10091 39346.90765 41279.81013 38440.04845 42991.2539 40795.95825 29424.50463 194.2613216 198.7404332 206.3235044 157.0304671 164.2438714 157.8332341 PS(36:2)>PS(18:0_18:2)_feature4 220475.7081 246140.928 353926.3238 275922.1739 228034.4967 310716.7062 213223.093 251918.5776 314947.3065 216226.1471 260002.9003 296928.7594 252409.615 223550.8894 266016.1149 227046.4715 366805.0098 288579.2089 243395.108 283922.437 278524.4511 262945.6247 274941.0548 266682.1004 234977.4218 284703.1304 369447.3057 311879.6025 330401.6142 276614.4553 357163.3742 282249.1751 224573.9038 313228.9566 249294.1086 234220.0399 235166.0909 271151.2096 244753.6569 320175.4392 284582.9248 243195.5668 295192.4469 325960.8749 232983.7845 317880.3737 377486.7409 267395.5083 284061.3447 193588.3295 257014.6839 271956.1717 223560.6358 239163.3466 269234.019 273736.0807 281341.8665 279183.628 280334.7752 277983.6448 277941.7461 278863.7549 266453.0491 214.0878908 242.1919129 211.2093357 205.6759949 197.7572849 201.2640262 PS(36:1)>PS(18:0_18:1)_feature1 476796.6359 484003.5848 637592.4957 618499.3661 461027.7698 528730.6119 508295.937 587913.7706 759211.3897 468301.641 566418.1363 686552.5749 512118.8119 510299.6146 605465.3102 456147.8616 704574.036 643260.434 544273.6279 569237.0059 538480.0737 478479.2125 561853.8228 560302.0918 471814.7313 655347.8431 803919.6201 652873.3018 681058.8374 562369.9569 694313.4293 558345.6616 451346.4758 627032.123 547518.3573 479152.215 518234.5122 526753.228 554367.3998 654361.395 604100.5902 507938.6409 653291.2975 720595.6132 528163.2477 758078.8236 748232.8043 621284.5612 787613.6181 475155.2999 546254.267 570034.1297 489629.7878 509911.891 595683.8104 618616.918 589166.5582 602727.7662 603158.1369 606083.2622 592434.4879 630337.042 584397.8061 215.3016118 249.3333107 228.7446615 202.5013351 225.14684 218.3610545 PS(34:1)>PS(16:0_18:1)_feature1 90566.9375 94270.22069 136706.0802 104430.1111 78591.38504 108179.0291 100404.5533 121665.8124 127158.2976 102289.9765 109013.3809 136930.2438 85431.50332 113489.0358 112312.4614 89939.45337 140251.04 156456.9145 112784.4185 112252.4116 115120.6529 96177.95742 92937.43026 106444.0436 81937.16335 138232.0853 149617.0122 138027.9891 129825.9119 118241.9683 137154.1538 108439.3093 102969.0068 112066.5582 131056.8448 94709.68539 111172.8882 113138.6414 126580.6527 125556.5924 112237.9941 112452.29 132162.6973 141398.834 104138.2275 164768.7424 164048.2705 128473.9871 131886.9656 89407.80045 98232.4752 115844.2427 89340.74434 77136.70099 117603.7301 108432.5754 114004.9594 130334.2818 98741.05345 132032.1589 114103.1028 111082.4491 113993.7731 188.364852 204.4441261 203.4559875 183.39462 205.4687884 187.4788393 PS(34:0)>PS(16:0_18:0) M - H + Na_feature1 34088.91451 32563.36942 29498.3224 36969.83634 28445.62216 28274.53091 37994.45504 40371.92111 39915.77377 35889.30162 40323.99308 46547.71438 44117.65873 45825.94067 44868.96886 30298.19716 42011.19678 51622.81048 42156.23943 43035.6948 33871.21339 29635.86685 32157.08181 36554.39975 32308.64618 38379.43985 47149.21158 43999.82525 42604.73941 41923.34503 40181.44862 33437.83528 38333.89287 35667.51831 40691.20653 32315.85687 33019.18497 33971.46513 39156.32767 36510.13139 44466.36316 43947.59027 47014.89615 45073.76669 42600.57453 45835.48765 39216.00281 48269.46214 43507.53807 42857.75924 31951.29184 31232.88565 29065.29746 30131.62827 38740.02222 36926.49016 42002.45019 37371.0647 40114.90422 39667.95323 38935.34687 39820.74158 37423.7243 197.5546162 198.4531221 198.9761585 164.349602 175.6604996 168.1709935 PI(38:6)>PI(16:0_22:6)_feature1 23236.23565 18488.91681 28525.22154 18322.45541 13484.86174 22887.17495 17382.00487 23797.48945 29584.0384 22721.64525 24280.95543 20198.32326 18953.06937 13030.68163 16607.83302 12255.36518 25071.96526 20903.20999 17380.62325 20402.54817 25060.31559 18829.55158 23157.51871 28879.50336 18979.33549 20206.23926 27494.88602 20910.7567 26470.05473 18515.85683 38063.54619 27603.94518 19162.83498 31477.61947 23388.41752 16150.82607 30796.18147 28002.90541 21674.84184 32206.66957 21033.91025 13174.22348 18972.66767 23774.38608 17084.5687 24382.58844 34859.87377 15934.45061 20821.67981 12464.40383 23531.75343 25742.6201 26438.36702 24865.21702 24061.22635 21731.17943 22311.63457 22719.26681 22267.5573 23238.32819 21338.1162 23694.33479 22923.02221 167.5421298 158.5168671 159.1574569 123.1971023 122.8530061 122.9226111 PI(38:5)>PI(18:1_20:4)_feature1 79002.3819 67295.72385 88501.46773 72613.42926 49655.76767 73214.3641 64755.8834 82482.81106 97932.56549 73257.88208 91180.97161 89959.96918 68629.89709 64242.72902 63332.70709 48020.60395 94811.82928 80215.48217 63764.11477 76683.69711 73580.32744 57184.89982 76238.79064 80163.31388 56540.51825 78427.58895 113224.5417 86134.39788 93227.00308 73120.94597 107306.9031 84392.46246 69271.50794 101240.2168 82089.13347 58529.41649 90337.49706 89259.84244 67754.73932 104159.5582 79355.89145 61012.73278 88236.66547 99419.88635 69179.1785 109353.506 132985.5682 83654.78283 88497.86036 55494.34443 82994.51171 85728.03115 72528.72329 74207.00119 78885.56041 81095.19008 81597.55156 80808.94191 84369.89582 77692.87041 80021.46979 82322.56838 79922.63341 202.3270757 199.2341009 190.0308534 140.2618739 141.9428499 144.7115438 PI(38:4)>PI(18:0_20:4)_feature3 2145293.624 2428363.366 3450564.628 2596381.568 2199675.243 2316828.61 1738131.763 2261272.287 3318234.381 2243727.696 2818634.486 2254075.314 2011679.727 1822986.538 1930741.331 1482052.712 2621336.171 2229432.997 2061612.887 2008219.653 2192829.976 1896342.857 2545510.989 2756707.801 1918977.54 2731606.037 3087319.585 2425205.995 2562771.067 2554605.896 3345804.621 2427841.895 2377730.28 3436346.615 2424851.117 2444128.419 2663030.683 2337286.371 2128778.474 3251470.013 2121035.456 1633588.197 2271877.615 2783709.533 1851851.02 2866171.237 3410463.669 2066500.646 2712560.281 1549879.474 2713396.912 2975892.959 2489568.564 2634843.008 2374676.463 2616779.826 2337485.48 2414823.642 2345329.525 2450024.309 2415252.508 2492821.439 2428777.154 175.986049 190.7071167 189.4864695 154.2174486 172.5232656 157.1846643 PI(38:3)>PI(18:0_20:3)_feature2 103491.4164 104607.6932 216968.8248 102850.9057 90454.19851 176602.9172 71252.60484 106946.1124 97151.33193 94575.25113 119498.8861 77452.67604 104455.9429 62380.62866 76555.06668 75871.06522 113424.5177 96299.00308 76469.56784 90019.59986 79225.7453 87332.54911 99670.6663 91520.39987 75617.08055 86729.76368 113109.0338 100132.6677 102726.9804 90360.86925 137979.2843 102470.5827 70265.20789 104106.9638 88698.41438 77909.14794 89531.22395 90502.63565 86827.44781 128955.1095 79167.06052 54513.18627 85398.16976 92885.21027 59736.72454 106221.5216 122388.4662 82286.48615 84957.13707 55306.7877 127704.6423 137142.4086 100352.1867 98204.62317 100362.9774 96655.19157 96761.51048 95766.78075 97932.17348 93548.44909 99112.62823 104471.7089 93307.739 189.7601791 198.2768855 205.512269 152.8122938 173.8378093 162.3984676 PI(36:4)>PI(16:0_20:4)_feature1 271433.7057 212271.0416 325116.1855 241394.2886 174503.162 259006.5047 215676.8528 298564.0501 347829.6087 278687.6954 279428.2916 263957.495 222310.0043 183360.1061 200697.7523 166131.5199 311212.5182 274791.7609 224607.678 234363.5113 257864.7206 199475.5109 267360.9697 293599.1458 213627.2273 235595.9417 327148.7149 277019.2357 278450.4469 225923.9466 387320.2949 277709.1063 234804.9748 339472.6367 275358.0325 206574.935 332541.3838 278580.0028 235734.6048 356026.6104 230601.734 183575.7443 259724.5587 282934.2914 186736.6887 295941.2187 393555.4613 209485.4709 258249.5402 162149.6513 274376.4911 294634.6357 254556.5345 266599.4857 263478.7151 257249.4515 262765.7481 266022.8278 267327.7598 251068.2605 262094.6542 260630.272 265612.615 167.2378596 180.2132167 169.0250761 147.8708529 141.4833788 140.7349745 PI(36:2)>PI(18:0_18:2)_feature2 193897.4164 235089.4008 366761.2206 265151.845 173528.652 327771.6822 187565.1781 287948.6138 374864.385 212307.8909 276852.8353 276065.6099 267709.9213 206021.8203 276214.535 137448.4687 434368.2618 289713.2571 215205.4925 268153.6485 287671.1707 213427.716 279246.1635 263888.6001 215743.4142 290543.3451 457354.0565 326889.5203 339891.128 233902.6873 406399.9069 340194.6843 252436.7936 389635.381 263550.246 185990.4213 278042.5518 292016.4407 278477.8829 395655.6168 242695.6708 170676.8683 275010.2937 366595.2269 188351.8229 312766.9515 485791.5522 278530.2518 350563.3683 139333.3954 309894.3337 341278.5116 292607.6435 298313.0701 307000.1872 275398.4789 271210.5383 284375.7737 296157.4751 287506.8198 298734.3916 272851.5492 288890.8525 193.5320259 201.2934523 198.3375261 89.42132117 94.38099276 90.23225605 PI(34:2)>PI(16:0_18:2)_feature1 31631.78541 31386.8627 41352.07458 32054.4284 22914.21101 34563.71824 27706.80868 32613.49171 42585.40017 30550.13975 38022.08749 36028.42607 33905.27957 29437.29371 27695.82402 22178.28445 43015.16047 35466.07866 30754.87122 32788.29878 33586.53528 28493.23932 32565.0348 34883.32147 27004.41945 33485.41159 45760.41065 40418.27987 38361.72361 32575.63505 49046.50695 39690.64133 31812.80981 45214.38873 36322.80366 25159.42827 36257.65136 32984.91887 32246.32359 44759.32821 35180.19762 26827.28336 38678.51374 41011.55045 29411.31045 39968.68877 56514.78222 30476.14859 39719.09907 24459.83677 41624.63448 41985.5232 33109.86002 34535.15095 34934.86663 36361.91457 32578.58179 34253.38565 37163.27199 35740.91811 35234.28351 35006.95725 34097.8544 198.0887366 202.9744418 203.5014914 139.2512533 140.1589035 146.0799846 PG(44:12)>PG(22:6/22:6)_feature1 257152.1183 333563.3049 415963.1729 411291.6726 252140.4301 330561.9739 302667.7411 437324.6145 522445.4748 362571.9369 389165.2222 485173.6108 432251.7482 424327.8818 468739.1887 303459.4409 534597.69 693553.4376 421432.493 473070.8081 401237.7923 427214.2569 397668.4408 461997.3507 284440.9681 456347.8876 558050.0653 496939.937 538412.1232 417092.3985 450175.1069 284099.9879 485883.9763 500722.2795 438761.3897 234284.6315 285440.1962 344083.7407 516294.3219 457936.4399 323182.3529 323846.975 347022.3374 394694.2277 348761.8461 381868.4272 424461.6372 327846.3413 329489.8005 301811.2781 274105.7354 279202.4523 187050.6208 185057.4866 410016.7404 389536.4677 391964.0203 408672.1735 385583.8787 398138.3965 392082.2972 400488.5486 404623.1852 138.060632 150.8576835 141.7657535 116.7347313 114.9504533 119.2004889 PG(42:10)>PG(20:4_22:6)_feature1 69816.62138 98296.11878 118224.4772 126030.673 57381.58774 85741.16959 81742.84048 116419.0418 133129.6641 77379.98682 90825.59444 107653.4805 78542.34448 97949.53697 99576.80433 59690.67221 116373.7734 137621.4407 87132.33547 111851.2729 89241.56498 75709.83999 78273.66166 96205.36513 51943.11304 98950.17363 107873.9415 100672.3541 90587.61088 71391.7295 108781.0691 69225.81513 104898.7144 117647.975 96608.24033 62281.42077 68231.07387 73408.11831 138173.3633 116916.1269 78069.43831 78865.74186 96330.57021 107118.0178 96121.56319 110558.9817 102943.6547 97904.18092 90435.82384 80251.80314 69428.677 69286.84168 46071.97569 44027.58398 94421.17212 95224.46084 90633.43155 92833.9381 88956.33767 90942.49486 95626.08592 94890.47269 92341.29461 140.3000004 143.1174968 152.2819354 111.7606372 116.8836364 121.9603533 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68818.63286 51883.95737 67400.03498 67476.96024 60530.70308 53576.36731 58050.43124 70774.29723 64797.26546 64738.78258 63645.86939 59606.81101 75723.26628 92132.24381 70029.66048 88061.67511 80211.39743 94257.83299 92337.38143 67678.47139 28832.89746 27954.17096 43488.3366 44111.10059 75837.04528 74038.31733 70993.84649 76558.87977 69801.11378 65972.89792 66907.50998 77904.60758 79363.31925 244.2386449 252.6753131 242.0180279 214.4029277 222.1671587 225.7113168 PC(40:6)>PC(18:0_22:6) _M+H2CO2_feature3 311769.4949 320849.2119 318131.8831 368643.6994 262335.2046 352878.578 357338.6139 351357.5092 470057.8306 328093.6252 421477.0926 518030.003 476006.1905 441985.9396 462555.2755 355665.0013 531092.7364 434556.2547 513432.5449 508228.2806 419060.4409 370084.8081 336950.1595 476363.4034 452467.3769 506053.2107 694508.484 419938.5679 566296.8151 448784.1553 473057.1877 375559.7854 399806.9467 470716.4619 426914.6673 300516.4738 455786.9524 439880.5627 371978.1626 449692.5996 422468.7757 374636.3814 395421.6 513542.0494 374404.9265 446984.5445 593631.6184 462241.2273 510764.2786 366112.5407 287964.0124 296581.9816 361468.1472 343758.1389 433772.9627 416164.9499 410061.7191 409928.6533 414839.0414 407026.4625 423134.4349 438892.9911 409395.2234 199.2983137 208.5074474 216.5764044 173.2158068 207.141669 184.4324031 PC(40:5)>PC(18:0_22:5)_M+H2CO2_feature3 120933.3405 153647.3801 173794.3165 166961.4968 127594.3119 135489.6711 158107.6427 132234.6387 160988.0916 123478.1941 166279.0982 145223.0654 120018.2396 134071.8192 172237.0451 144204.0685 222621.4805 161904.845 117110.0083 220213.2419 138056.4234 171257.133 106258.1994 136068.1822 85854.17584 142463.4336 155133.7775 146149.1381 148974.1369 153395.2845 206378.6101 181426.5828 144198.5285 177619.2084 128181.1938 117391.2666 129491.268 179873.5335 163721.482 157448.3391 77536.91177 104046.112 138207.4529 164921.7388 126680.9656 197640.6345 160925.108 156676.449 175077.3076 125722.737 129224.9667 142016.7912 120989.3531 88425.81975 145142.5286 173368.5073 133591.6484 183962.5919 159133.6705 161595.7754 162903.0279 159574.0314 145849.1308 360.1818569 365.856915 494.0371293 296.2804614 392.1550826 359.7821929 PC(40:4)>PC(20:0_20:4)_M+H2CO2_feature3 35390.54581 46446.96391 70504.58715 63547.3686 52553.82013 55943.33059 44446.88786 57528.53819 66187.54884 45409.79878 45291.27841 50661.09225 52418.47893 52843.9192 59452.29106 43943.74887 70673.69969 67323.62144 49673.66707 59407.77899 49482.64274 52944.91921 43715.8182 51214.04297 42653.64642 56079.21822 71461.59516 62511.76547 56527.38114 55522.37004 54556.94651 39328.62435 60207.99364 67494.74907 47949.94792 38374.91368 40937.73405 44376.26639 66474.27249 58755.75071 48915.77233 37340.87684 57126.18205 60210.93836 56060.29865 59805.54643 62530.32171 57120.63755 60378.6869 50979.82712 43202.08318 44753.97101 33499.21803 36932.3306 52030.97544 51234.24617 54826.65943 53779.62616 54046.03778 50607.28355 52187.5677 55492.25366 51008.5065 206.9602568 218.9124992 221.5938665 189.5442692 197.8023506 202.6689666 PC(38:6)>PC(18:2_20:4)_M+H2CO2_feature1 870369.0229 1060749.495 1170259.276 1147384.186 1005581.621 1249995.807 1099045.004 1089752.433 1358761.164 853886.993 974077.5668 1040330.53 989029.1443 931783.353 950374.755 768375.3784 1213159.334 1020516.434 987050.3609 1154383.438 1361547.524 1226242.384 1033958.881 1304299.141 1238711.85 1064765.827 1379192.551 966582.1895 1183172.4 884126.8591 1358111.994 1083583.205 1174643.546 1493204.271 1019631.507 794595.598 1072190.933 1230232.862 1169510.675 1405790.021 912636.2898 747914.1704 898478.4955 1018945.069 840320.5739 1054739.042 1252565.013 977555.5003 1074524.367 797999.5667 1054929.236 1093229.51 1221578.825 1206407.875 1068679.072 1091839.868 1070926.232 1123578.686 1072172.911 1104623.132 1044936.665 1108281.877 1077820.601 189.591263 198.7853822 196.4031224 176.3119588 181.3255057 162.1529189 PC(38:6)>PC(16:0_22:6)_and_PC(18:0_20:6)_M+H2CO2_feature2 1079341.697 1350099.749 1265416.873 1389594.699 976820.3713 1450485.133 1395204.875 1331192.287 1737246.038 1195630.124 1652289.104 1852513.089 1863238.732 1686327.796 1703908.811 1363940.696 2056540.973 1699027.752 1906543.938 2016213.98 1594542.138 1496980.129 1318005.889 1610654.194 1561831.605 2094017.174 2528229.225 1646610.257 2095698.383 1539937.997 1767765.992 1530237.307 1529883.83 1884897.658 1644691.964 1117768.297 1784229.696 1529717.195 1418041.294 1614192.676 1795422.222 1542393.443 1632811.612 2030950.251 1600279.925 1987404.801 2244301.244 1963119.747 2081316.95 1444068.294 1067216.318 1050089.297 1262905.081 1248643.128 1649616.116 1563376.219 1675052.731 1679560.552 1674981.292 1660591.249 1618304.003 1704290.077 1570547.596 185.6195348 200.5413318 200.6942102 151.8764447 160.2942699 170.5555825 PC(38:5)>PC(16:0_22:5)_and_PC(18:1_20:4)_M+H2CO2_feature4 1260472.798 1462244.094 1458661.966 1601304.566 1394523.39 1522328.924 1476471.349 1633656.591 1739806.783 1358454.885 1373763.53 1630949.823 1429951.281 1399364.13 1456964.156 1134586.836 1715951.342 1591446.735 1475550.198 1556224.947 1616799.387 1490618.031 1498237.002 1670136.57 1621809.691 1625161.25 1835146.76 1566941.53 1687650.519 1291087.846 1826885.042 1515057.403 1659733.331 1901208.176 1597222.976 1288242.468 1576107.884 1617603.931 1586421.22 1876483.679 1416075.015 1296984.765 1505408.866 1566579.463 1405677.348 1657734.354 1864255.124 1569260.983 1600048.573 1280043.196 1323558.182 1374839.293 1430512.434 1465850.9 1553875.374 1533802.344 1568510.41 1535227.15 1549184.829 1530056.815 1563081.501 1595735.398 1507109.548 210.4371803 211.9807262 216.8340379 197.8221904 185.428036 199.5084401 PC(38:5)>PC(16:0_22:5)_M+H2CO2_feature5 39548.78415 48569.85648 75573.79217 58875.36712 59181.96013 76796.25876 42951.27867 53270.41975 58891.39659 50435.61788 56581.81479 56873.09454 69069.22244 49987.88737 64023.70983 57362.36884 79401.94793 61211.79833 58261.91997 78055.06131 65515.79788 80503.36599 60778.91538 67055.23123 59494.52767 70761.1741 81004.80524 56334.30985 71801.99719 53523.83456 59152.90358 49211.51857 61796.22649 66927.32507 55071.98108 41174.29843 55073.35571 49698.15874 58639.20908 70896.68647 58842.76694 43143.55161 50347.07235 62775.05414 53572.74994 64018.97519 86260.02921 67384.33603 63143.73557 47550.62867 42774.01348 44891.97335 35661.76955 46827.64404 65014.54442 59260.05607 57727.22346 63767.28421 73256.61022 63558.30172 62276.60592 61567.24767 60130.67223 198.1356558 210.4030811 211.4122865 176.8372332 202.5793405 202.1684228 PC(38:4)>PC(18:0_20:4)_M+H2CO2_feature4 5994862.257 5907723.317 6814559.538 6907120.521 6074492.507 6709594.213 6805977.433 7535881.616 8062372.356 6359694.535 5469939.444 6078249.833 5646414.702 5424012.561 5429902.197 4300865.542 6482240.951 5746402.448 5989838.141 5899198.845 7885948.906 6652580.509 7272638.552 7748618.648 8329333.773 6226965.457 7614394.663 5597383.415 6453939.37 5003211.972 8683286.583 6973973.585 7291220.445 8487790.91 7036410.229 6264543.494 7330588.276 7539352.553 7051521.657 9158117.88 5084405.348 4790353.469 5674652.801 6055310.541 4991683.194 5597081.962 7175961.607 5713675.592 6531472.619 4704591.8 6831302.521 7150719.905 7532046.743 7841951.249 6840933.992 6508835.075 6731758.276 6494778.07 6494672.127 6785070.268 6500291.422 6717700.606 6739358.175 281.729103 234.3415589 307.8390957 264.0091197 457.4726882 254.5748034 PC(38:4)>PC(16:0_22:4)_M+H2CO2_feature3 102125.5369 94938.97856 171442.0889 141371.7287 130558.5212 133393.268 150947.7685 150900.1712 176928.8501 112969.2914 104805.8294 149877.7669 109597.9677 109627.2418 118010.9766 90660.06135 140214.2625 165903.5625 107681.6593 162796.1533 136108.6755 104325.2218 122131.5493 170018.0691 120793.1573 159720.7815 178080.4396 129697.6829 166246.1531 100006.7593 158006.3665 142297.8575 160570.6514 160893.4369 140126.8892 133218.5156 131623.8969 131932.2961 143232.8223 187250.6151 112369.5583 118007.3678 156722.058 142821.053 107998.6597 145563.2994 142701.3898 180397.0066 178401.7689 117848.9085 93034.04585 113103.8002 106119.2614 143298.02 146714.6197 139416.4698 122764.6752 157635.4276 138608.0562 135267.2132 145277.2365 149322.8699 132047.4043 188.6268044 206.9452218 205.6841985 205.0005168 210.5935184 218.5004803 PC(38:3)>PC(18:0_20:3)_M+H2CO2_feature3 215188.9049 269487.3284 462520.7697 349750.0432 354364.6267 475851.6339 262364.9175 333677.0047 306954.9061 260395.0834 327171.2746 285501.7892 407964.2361 284447.5488 300940.2653 324032.2363 403333.582 390825.3339 268246.8481 365969.7333 287830.7169 351001.3704 283070.0539 294081.65 301287.3469 281429.348 436475.1238 299068.0025 357437.7138 307973.5326 325934.2873 264365.5922 266071.6957 378525.9204 276975.1663 215553.222 247525.3343 247470.7129 306843.5288 335797.9608 264907.8017 189390.1756 271293.1488 245020.9305 204457.7168 255444.2312 346803.3154 263584.7982 251343.9268 221217.8839 302136.5031 278961.3681 284161.4598 279454.1829 302743.2619 289395.2878 296453.2217 308074.6354 303242.9584 307169.8129 289665.7607 304114.8813 295191.2206 250.7004318 254.7066524 276.4970908 216.2114782 228.4590114 218.1950752 PC(38:2)>PC(18:1_20:1)_M+H2CO2_feature3 40846.63061 62654.65699 82686.20694 74547.25521 66952.48149 62339.77937 35438.42413 64390.78088 59689.18851 55904.68111 57723.28478 66803.82999 69546.67219 63488.48841 84481.62847 62606.86706 102225.2452 90514.13207 48799.51757 88641.94999 61643.24538 71969.50402 45856.24416 60115.22993 55703.44742 79792.03436 80629.68834 72999.9059 81421.33708 63608.61037 49633.69996 56188.35206 74238.89304 80711.152 67081.44032 49264.64253 33117.74686 72165.13238 51853.80822 75469.48558 55717.97224 55445.5462 65207.49856 73213.35876 63624.25225 71561.50909 75590.02125 67402.84074 73675.9327 34942.2034 55893.97415 58038.48108 45407.59027 48151.40912 65999.53412 68655.90029 66159.8385 66714.54134 70000.57989 63389.36288 64681.9881 70357.60733 66771.26513 349.2311761 258.733099 255.3749802 226.5659277 227.7959003 236.3640566 PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature3 121335.6475 145504.2284 152636.7483 152373.2674 127252.7004 162191.1532 148661.0689 172797.1402 187263.5828 135459.3144 117179.9592 113864.4464 114431.4393 106754.1975 116852.5769 90495.428 149604.262 118358.3938 114174.1639 145408.526 167731.3426 161869.1282 146299.8634 146886.5967 150128.6286 131763.9644 167400.9474 115347.3321 137458.9376 104207.6134 182308.7572 152310.8658 159538.6954 197582.7878 140159.3737 120657.4525 149281.3197 167006.2285 174365.2484 190589.5955 105625.1244 93290.84218 126245.209 154064.9601 111926.8096 111313.5439 162353.2902 127660.2926 148787.6667 103384.0637 157696.3954 166617.4447 174725.8869 175523.1321 144741.1926 138893.8482 141181.3527 135257.2771 140876.3705 141500.4069 142599.1315 136559.0177 143819.603 212.5626891 224.1709128 226.4276552 185.2086753 191.36958 194.4915216 PC(36:5)>PC(16:1_20:4)_M+H2CO2_feature2 82504.60551 70605.56683 115829.8536 75568.80777 91371.89161 103111.2278 91584.09108 74158.27311 149330.5831 91435.17086 101130.6812 93202.96713 93629.01472 139648.536 89405.46931 69183.96441 76675.01681 123221.3677 83626.98324 68220.26149 89588.56347 101450.3464 101040.3037 128505.0252 107178.9862 71828.51993 111164.4824 78442.50223 57408.666 60400.3722 134410.496 62140.2713 126337.9143 99861.04555 106682.9485 79087.70067 92274.57911 85867.53338 70173.17578 150176.54 65820.13835 60194.5288 113607.5588 69970.50906 67091.96367 95960.38936 125417.5927 99983.20284 96041.48692 49666.50621 85704.06381 68463.03246 96560.01662 118156.0116 91957.76607 88273.17243 105059.489 101344.5172 111616.5929 117017.9969 82256.84404 98692.44167 89617.71561 192.3245794 182.6504039 184.0780059 181.8770839 182.0195871 182.7746872 PC(36:5)>PC(16:0_20:5)_M+H2CO2_feature3 91977.23676 85933.92991 168973.871 123677.3348 120509.3219 175755.7708 108437.1524 141036.2204 140832.947 128793.068 134951.4269 143713.1257 171696.7347 113476.9731 132175.4144 129964.1751 183750.0223 163691.1053 123384.8098 160339.4338 162862.9191 205199.8375 144196.2898 151193.3938 140100.9716 138147.2761 204270.7984 122866.0253 164689.5261 133929.6144 140655.3633 99669.7055 112424.8354 160226.6589 130248.056 79977.04502 110729.0034 89961.95028 120829.1366 135682.2797 115305.882 89702.23816 85687.82782 121084.2235 81529.28648 120129.461 155839.0511 104077.7128 98878.6192 80494.68991 107711.6262 100011.0599 99333.53661 92917.20262 127931.9058 130013.5423 127934.484 131105.5986 122543.7544 123318.3128 126685.2549 135657.1418 126657.5364 221.3054314 218.1798589 208.3456215 175.362706 165.5316015 166.8084491 PC(36:4)>PC(18:2/18:2)_M+H2CO2_feature2 254836.3573 413395.4725 461874.2053 427340.2868 404332.9358 540206.5964 335639.2427 334084.1213 368005.4589 257658.5135 353200.7048 407087.2515 424214.1314 334467.8686 391622.9098 313943.7326 509626.7235 411416.3284 365467.9878 466938.4667 454494.8376 543723.7616 360922.866 389148.5803 381014.1442 366113.965 477376.1876 396588.5872 469526.9142 348407.2841 411484.4149 388953.7571 387215.4883 447747.7377 314030.077 255254.189 262309.2419 378195.4924 399692.9362 416900.7433 334377.3708 312932.8748 327591.904 359700.5295 325959.6364 410149.382 424085.3093 398399.1888 368510.3194 289567.8773 360525.299 362795.6796 319309.1566 325286.6227 393733.6708 374136.4781 370740.7817 376244.5621 378193.8871 377230.5325 374747.4203 381170.2167 385996.6584 209.5656115 204.8352873 205.8563682 157.6322027 160.6554269 168.5427339 PC(36:4)>PC(16:0_20:4)_M+H2CO2_feature3 153789.8343 148586.2865 176647.3511 183468.8559 143902.3049 211503.7136 178991.5961 212887.7185 220238.0965 182496.863 149782.2352 172888.6227 153986.992 144790.4633 143858.3718 112229.0833 201506.0865 167925.9789 167724.5856 187485.3591 198382.858 170369.024 181617.8685 198649.0204 195938.5417 163972.0987 222623.9203 167899.0012 194635.9638 141601.1291 252774.8449 180522.936 196382.8036 233747.9189 205263.677 132838.4765 211795.4566 191844.0122 208509.1141 246803.8942 159855.4365 130040.8231 176107.5309 172534.3145 140896.7496 176357.8581 251146.3031 180315.8796 185677.7718 121162.6362 159298.6054 166233.2017 188241.2338 168293.5837 190078.3784 192849.0058 172857.3814 190952.8323 176913.1249 179391.0699 187097.1167 203705.3989 176890.9514 175.6027477 172.2640876 188.0877504 135.288045 137.2261631 143.4221882 PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature2 565021.4076 861309.3785 907512.014 933248.137 832408.909 872668.8435 845766.7739 822127.5584 843163.5354 643899.2437 904427.4207 1012772.739 946999.8092 876861.8222 980863.4817 736391.2335 1041337.44 925576.5438 846411.0545 1046024.52 891834.4004 933574.5454 847467.3003 837566.9133 722993.737 942861.8321 1077419.058 956715.3851 1016995.966 843197.0793 842423.2854 806673.9719 838098.4629 943876.7089 770785.9004 681207.7357 673028.167 812080.8428 895233.1483 888938.8084 810678.5806 840286.2035 890568.1958 876990.9338 882349.7452 925855.2158 1027236.547 1047672.901 916152.2067 765706.938 721483.0232 745162.3368 609243.7219 627382.9336 846579.584 827626.7998 855779.7416 858309.343 829409.0104 860976.3027 842490.7603 875278.9885 813376.8255 242.0145249 224.8499101 222.6516955 206.8229899 207.7251029 206.8508701 PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature3 174020.4226 206295.8013 342577.6959 229192.0771 287852.9297 289686.3345 182707.8944 241271.0412 202381.6089 203968.2465 237775.374 220146.0293 306481.0475 219260.3732 233394.7452 240449.9253 345321.8264 368753.8169 211481.1495 296291.2133 197974.045 270890.2547 201550.398 208941.6026 222088.5317 244961.8395 286347.7529 230595.7608 267036.3286 239250.0585 251824.2523 178542.9517 193433.9432 252071.2446 194911.6784 159819.3582 188897.5172 161046.9936 230841.0867 274026.5604 236284.0659 160090.1348 235290.6414 215053.4739 174592.499 236734.9663 301105.0483 228114.8215 197419.8942 163879.8124 183721.226 203961.0804 188408.9622 172630.1252 285856.4237 220098.2996 223945.4573 252288.8202 253754.0385 217655.2352 271631.4111 235797.4376 254481.1131 214.4057287 216.6150815 228.333619 185.230846 187.0016415 203.6201829 PC(36:2)>PC(18:1/18:1)_M+H2CO2_feature2 230483.4096 299818.9224 291396.2233 363605.1317 372883.5559 242389.6683 254408.0968 290052.3992 281919.0654 270535.2882 398709.6271 507956.5623 446017.2717 392272.881 447313.714 309598.1331 524977.0907 371224.5312 287492.5336 393304.5668 329563.1973 328167.0408 301823.9585 302299.7658 289764.4536 320260.588 503087.0615 407827.6083 433214.8974 289701.3967 381102.4132 249324.9553 301192.3986 299397.3631 329034.8594 306099.1472 278539.3269 278781.8401 398788.9143 381047.3113 302585.8145 322978.3908 460320.7806 425544.3905 353119.9452 440371.1914 429531.4509 459086.8455 416031.1132 358728.7427 206320.9493 256225.272 178296.035 200975.5646 383710.0945 290580.6277 362044.8286 356824.9483 281904.978 300568.5902 366705.8114 367006.591 336652.7244 260.4282634 314.9832306 371.63105 236.2647268 396.9432417 329.3185255 PC(36:2)>PC(18:0_18:2)_M+H2CO2_feature3 2179432.99 2800547.312 3314441.488 3096780.091 2835494.141 3789700.265 2547533.839 2762951.684 2876743.952 2197394.687 2379606.555 2463285.643 2660323.348 2191085.411 2421853.291 2318855.454 3377941.689 2781345.762 2512005.426 3032282.324 3154050.544 3427492.099 2765959.97 3044118.464 2979275.274 2650866.712 3187737.24 2690559.024 2865099.603 2467842.264 3188951.445 3235263.279 2701291.57 3363265.878 2494020.08 2095453.072 2323388.015 2911917.888 2949485.292 3297924.817 2316372.262 2042752.738 2210290.211 2346486.208 2080810.681 2261277.395 2988421.443 2419965.985 2397580.723 2012169.286 2781800.432 2549892.083 2638031.443 2474431.465 2704511.249 2760845.843 2719506.355 2756802.59 2876872.416 2800615.455 2651728.831 2676484.027 2802613.929 566.2719926 239.3228686 235.7082304 271.9971273 220.2728623 211.0421877 PC(36:1)>PC(16:0_20:1)_and_PC(18:0_18:1)_M+H2CO2_feature1 1186646.32 1555471.552 1785982.575 1820637.358 1664738.432 1598020.082 1492884.899 1667466.082 1683572.19 1380387.774 1652638.016 1882765.188 1824187 1805855.006 2025064.162 1504939.559 2276607.76 1965291.031 1702374.294 2110785.073 1669913.463 1595478.961 1557014.201 1598139.804 1491227.138 1939139.105 2265102.558 1911152.117 2027203.416 1737096.337 1845943.663 1486474.243 1703763.217 1938896.521 1577640.11 1409381.707 1413537.304 1572190.458 1658144.589 1969483.722 1726196.352 1575774.877 1846588.42 1892547.191 1714086.735 1871604.609 2138821.504 1984777.986 2055263.101 1582386.38 1301861.217 1373644.166 1214762.924 1239210.817 1718000.292 1695757.461 1806655.62 1679302.271 1722760.166 1658979.805 1744946.515 1799734.496 1674732.976 274.6500563 275.9645331 269.2739254 247.9727803 247.1838908 253.5362279 PC(36:0)>PC(18:0/18:0)_M+H2CO2_feature3 32585.64389 39119.63202 42479.27829 43786.54653 41369.09291 44899.16436 42977.7697 45118.58334 57794.35501 35983.86623 39561.28486 46364.97927 32936.21082 43764.95525 48356.74809 33640.07764 47292.31101 41092.92732 44687.7442 45352.12105 53313.71055 39483.28962 43414.57241 47188.18437 46977.57026 48049.09176 59863.31322 42714.82047 48147.98577 43158.18094 51948.09303 48151.47506 48191.50355 54895.49783 43913.93231 39745.52198 43787.48428 48597.55724 49762.23209 51661.05569 40886.49009 33499.32238 38097.4057 48020.60238 37865.22172 44531.0732 53418.95155 40615.27416 55321.33329 39841.54601 39039.09588 40259.96758 42699.99446 44141.35511 44317.10107 44467.24271 47657.16203 47831.19691 43849.71747 44912.10841 43134.50429 45620.72902 46969.04002 171.5778448 200.2962567 211.7078301 165.1515089 232.0272203 209.8557611 PC(35:4)>PC(15:0_20:4)_M+H2CO2_feature2 56512.3455 57305.96845 72188.56781 64861.90595 51899.67198 79396.49934 71325.99217 86046.01363 83994.50114 60053.87961 58388.23792 56683.3353 55462.73625 52583.34821 50637.81272 42585.84935 67050.34433 56233.26475 53700.6127 68913.92886 67851.87477 69962.92344 65077.50999 72906.83821 69896.1235 58224.29235 81415.98955 55612.54247 62909.46298 47748.12598 89224.77537 70521.16056 67662.79395 91983.3327 70770.6418 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61015.9106 57767.24332 45828.00207 63469.46972 70083.35819 56360.23206 62122.10004 58746.68856 61612.76906 61727.08846 64358.1429 62606.06647 60836.74197 62068.56186 61016.26 59776.78635 213.9454511 238.9033566 224.4127845 208.4835059 199.6453911 204.167521 PC(35:1)>PC(17:0_18:1) M+ H2CO2_feature1 64707.49259 95043.10667 106507.2514 112942.1825 89773.50673 104799.2723 79750.04994 94855.42964 97718.52683 75565.86761 96937.33032 106639.2203 101502.2068 95420.32662 112595.8791 85845.41512 132102.8172 114343.766 88627.70998 126714.386 95668.15105 95325.61685 86784.97396 86562.02703 78585.88514 114943.5342 137160.8106 109993.6881 114995.6063 95786.68288 103876.3839 80179.2885 96514.60989 115136.0396 83555.2526 73819.91998 77727.69196 90432.6537 107523.8303 99502.2137 102739.6807 89818.11366 113025.7578 123674.4329 111654.6983 115107.9008 134277.1182 115815.4122 119637.8707 94675.53839 87225.5433 84076.1373 77558.93439 76810.49383 104709.8082 92808.254 99515.32168 103555.028 105202.7442 101913.7139 95297.57978 102639.9826 99750.5917 292.9199256 336.5510947 323.1242474 254.0796237 268.4915042 273.469432 PC(34:4)>PC(14:0_20:4)_M+H2CO2_feature2 24979.65332 23310.54828 33102.30407 30811.36224 25042.57712 35675.04976 28440.4713 35550.56416 41197.3018 28124.77637 25191.7605 28734.49121 26827.49087 30750.11284 27115.99318 21362.4926 31634.77026 32928.30688 28028.18288 29990.84818 31864.87506 33917.50933 25387.42899 35717.09727 31136.55484 30144.04846 39904.48662 27037.25258 31173.99742 24244.79589 41284.7227 28326.57476 32160.25916 45061.10319 33942.42754 23498.21348 29755.32635 30198.46717 37498.24561 43750.31052 28126.76803 17052.85953 29442.91365 27688.76308 24575.93777 30604.15383 38357.48121 26406.15603 33262.9404 20447.95711 31194.32629 32276.28528 34498.04098 34857.41995 31711.27748 28268.39767 29608.68538 31236.57639 29606.56438 30695.38005 28984.24203 30446.65961 30499.05789 176.4097083 173.3538577 189.1558602 143.3386471 157.5176163 142.1822737 PC(34:3)>PC(16:1_18:2)_M+H2CO2_feature1 34049.13389 37103.59554 51547.90662 59493.34978 54714.64825 62811.89921 50064.55685 60072.68729 34580.94664 38174.91426 78327.10101 50265.82756 66977.5128 81404.54695 84637.75024 41684.32159 55981.11845 42931.69884 46962.9407 56194.6409 48911.90565 23851.63438 38311.37182 43222.80119 44536.86115 47016.73644 70207.06892 54810.31846 40516.19582 53509.51003 63128.59085 41642.04387 44892.34781 57607.12618 46143.12461 34884.60722 19713.364 42776.59773 41471.51768 51355.22377 64952.3605 52239.82294 46125.83825 65778.49961 61009.72571 71433.51114 105070.4946 80254.18432 59174.43901 39859.18003 81539.56287 39976.74365 63358.28643 32100.18044 34375.1915 58689.65186 61549.8761 56102.32615 43100.54603 49232.75434 52614.35697 48531.72949 51485.84791 242.9685091 252.4954573 247.2864695 133.8451709 148.7196359 132.6677345 PC(34:2)>PC(16:0_18:2)_M+H2CO2_feature1 3377751.933 4092983.478 4563663.084 4441788.056 4075376.186 4996275.005 3927803.816 4307855.587 4189891.369 3441256.844 3879987.169 4357074.238 4488895.151 3856061.43 4029991.847 3502597.922 4855195.694 4396007.012 4026374.481 4680430.417 4686688.861 5131634.624 4400758.234 4473056.865 4240926.873 4139269.914 4801450.654 4264445.583 4630508.394 3721265.426 4384337.501 4168291.944 4164802.909 5073807.731 4021333.84 3365660.417 3591898.19 3940787.194 4178885.032 4832141.923 3851537.801 3579910.168 3990773.895 4025666.009 3677606.663 4114321.379 4972337.933 4376399.35 4002722.779 3209615.442 3762319.823 3894161.957 3556341.442 3570750.428 4177470.387 4038202.264 4157060.946 4185916.912 4152863.944 3988543.47 4233951.953 4328175.795 3947872.921 221.8326237 218.8052387 217.2520273 211.3610408 196.3054076 439.2825849 PC(34:1)>PC(16:0_18:1)_M+H2CO2_feature2 4596316.927 5474803.181 5722754.332 6249140.964 5390456.029 5492757.461 5729740.233 6111166.971 6081076.152 5075881.338 6194361.306 6987106.423 6462268.845 6417029.863 6732987.075 5274244.018 7400138.495 7025169.681 6144076.867 7348652.274 5512143.662 5355344.932 5523033.501 5667044.775 5455626.808 6945345.999 7606218.037 6585814.847 6696153.735 5928695.17 6683089.504 5412131.253 6209733.925 6672310.036 6111917.892 4813955.008 5372813.531 5549201.026 5968355.923 6715013 6057446.95 6032923.535 6697795.565 6790868.477 6331621.738 7084320.475 7479504.426 7167343.935 7173510.431 5451001.925 4717965.552 4843884.296 4730960.805 4395649.249 6255167.629 6041334.187 6204064.544 6415811.694 6156073.115 6457036.052 6155469.105 6108574.789 6204014.142 869.6653949 381.2277055 409.0779098 619.5090342 399.724892 365.3316971 PC(34:0)>PC(16:0_18:0) M+ H2CO2 550336.0406 562071.2793 618343.6629 674441.12 563854.8656 666982.9502 677730.7594 738513.9144 888875.8482 576953.0026 553415.906 656755.9665 562358.1866 615779.4996 647758.7735 440776.0826 677423.1773 584359.4689 619370.7126 656631.8829 769519.6124 652425.8164 679972.8018 762729.0886 727763.1195 686706.6204 863947.244 590250.1612 719888.5121 541050.2672 878541.2124 708434.292 726939.5714 874773.6215 725604.0423 590042.1418 704677.605 756690.2528 722113.4363 895072.0903 612739.0058 516362.3602 621815.0596 682736.3457 552697.726 645855.5132 796720.8905 709235.4802 762690.0095 525503.5789 619620.3676 630217.5669 642274.1432 641536.4561 646363.9738 657044.4444 676669.4717 652374.3104 687762.6375 657871.9386 650287.8554 663703.4349 654546.5616 261.5648297 251.943588 248.6107816 217.9300225 211.3151932 215.7449785 PC(32:2)>PC(14:0_18:2)_M+H2CO2_feature1 27518.98025 25335.3915 22640.26631 28965.06643 24811.84652 37626.2718 13744.37263 15377.44983 27881.08205 21503.26983 40008.15756 38946.46856 38821.17344 48520.37563 37094.10039 24776.05004 30057.25905 39022.53213 16145.66573 44381.48787 17336.94809 31376.79026 27226.95893 31179.1924 27984.17213 24666.93898 49222.99241 17717.49861 34995.79775 20365.02431 23858.92397 33106.03871 28834.79332 39118.61778 18698.04959 15098.88434 21154.6658 28564.84502 33899.67635 34040.76323 31160.5207 16148.33391 19316.23489 21993.48051 32063.79495 43085.36426 43019.68196 31596.27886 42397.38034 14183.06756 19388.79373 21043.07183 22675.69432 26210.96403 25158.97873 23056.24759 40224.96308 30006.3586 32837.67908 34360.15658 30366.97116 31196.45218 24228.84974 284.2732316 284.5794954 280.2527499 167.741986 166.9351151 165.0591769 PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1)_M+H2CO2_feature2 264558.8227 157801.1326 296072.7482 173452.0502 260292.2175 270411.5378 204532.4503 300596.3223 376746.8406 278617.4628 389343.7776 490760.5063 445921.1713 497738.9237 373585.6698 239485.7463 255636.441 430145.2689 440874.4038 218743.1651 312547.1596 203351.494 257443.8411 261867.9041 275312.6448 334177.5351 411422.2119 257632.4753 362254.5219 315505.9652 396871.553 283394.3101 238385.875 243069.3299 302347.5281 235186.7289 323687.1245 269415.587 258734.5923 362547.0316 381930.3299 297705.2303 419086.566 347315.3808 317206.3347 355248.3938 518848.3036 411455.9872 421771.2649 297380.5497 264187.6676 172519.7791 179155.582 258296.5738 360018.9151 377743.2833 360499.8674 364445.4234 344132.6531 354578.1764 362807.408 394606.4332 349399.6651 212.6786264 212.3705744 197.6360188 183.8474566 188.1324286 194.1424574 PC(32:0)>PC(16:0_16:0)_M+H2CO2_feature2 3637529.499 3528949.326 3474349.831 3579044.163 2889630.117 3803952.593 4252408.16 3971300.574 4430634.9 3730602.233 3338630.912 4103633.565 3595386.088 3529767.462 3457003.117 2694992.991 3597126.046 3339133.833 3689126.981 3703710.745 4150735.149 3556397.87 3867324.281 4390941.722 4353197.873 3721849.327 4519447.107 3339490.896 3848750.868 3063713.141 5275767.457 4296560.745 4278747.115 5142098.291 4235318.576 3608296.828 4339746.132 3994704.809 3732459.983 5116405.905 3785588.156 3170891.848 3753508.405 3927653.526 3181742.202 3719470.764 4502524.263 3865002.385 4197650.24 3028851.776 3570406.807 3622226.49 3986071.237 4025605.351 3891421.312 3894682.728 3832086.4 3759508.652 3762283.214 3903211.178 3928602.487 3945119.211 3752150.896 637.6593326 292.3165855 632.7973986 1328.145003 238.8493272 399.2954296 PC(30:0)>PC(14:0_16:0)_M+H2CO2_feature1 142217.3512 139604.6009 151566.3125 140362.1617 123268.8064 188429.9779 162936.1585 179067.366 206512.8501 161891.9789 155699.4774 189332.1811 177264.6751 201865.5185 145860.2898 125046.7705 170688.6928 163580.4079 186007.4407 165282.2338 161694.5529 159367.7841 148754.9055 185723.0505 177269.5893 167831.9504 209470.2377 154862.5601 174996.7021 132755.3735 208483.1154 154022.3645 169148.6017 207225.822 181400.1099 137445.596 186995.07 158103.3038 174220.4237 210978.946 194016.4308 126141.7449 170788.9572 164950.9873 149757.2795 186622.3415 204619.1855 171506.6439 208121.0769 125581.0581 144975.5332 143391.2409 159631.1576 173439.876 169493.1993 161564.0205 174438.8521 169817.8334 165345.8596 172073.3092 172755.0135 174063.251 158645.4248 209.715136 217.0274895 207.9390535 189.1658882 196.1177185 191.2372605 LPE(O-15:0)_feature1 26904.27128 26175.68595 27134.88267 26465.99492 26657.87239 26971.45926 24863.40188 24525.91489 25669.86034 25392.78389 26890.87688 26228.0184 30216.99944 25393.59735 25915.92183 26503.29796 26552.6036 28302.62024 26198.79165 27575.63361 24449.90715 25058.67913 26114.72225 25767.32639 24979.02515 23714.49547 27286.78246 27124.24735 27745.67808 28715.02841 26827.80882 27695.90232 26050.96485 25121.7555 26337.48512 26530.81672 25870.8148 25980.56631 25604.97282 26969.85633 27326.07215 24747.19025 26152.81994 25415.14964 27539.8037 25222.51106 27915.93556 26463.809 26613.35627 25642.55982 26383.18089 27899.73978 26137.09302 27162.33467 27226.20415 26333.39555 25190.32886 26876.52138 25858.58631 26219.77602 26097.31846 27527.81276 26012.05407 110.5214513 123.4784641 122.1077645 111.8637737 109.4974223 117.0105703 LPE(20:4) 58069.75323 26700.4619 41932.48219 37277.4807 24494.43681 44294.9682 39582.40248 41340.25056 38412.65459 26567.56597 28453.35768 29138.39684 42885.33136 48762.99113 27618.78505 18311.23199 33743.40792 50161.32602 31220.30327 31500.43827 37251.15398 30204.44091 29876.03118 32993.58869 27124.99559 22782.94645 65476.66034 27729.87714 28272.71577 31005.06852 45401.5838 36786.39905 36065.32304 40287.21284 35705.07045 20670.91493 30211.44308 31980.75295 38003.96802 48406.66793 29323.88488 42369.24377 26262.31642 29306.69199 26890.92271 38169.55919 50728.37141 25905.79292 27511.50542 20833.27601 36136.64109 36899.05655 38753.13162 40682.89926 35333.27031 35797.7126 36012.36831 35754.92334 33353.96631 31732.18897 35301.54397 35512.06586 37503.81443 175.9659195 203.9858504 212.8311554 177.9251601 206.4967646 203.4629075 LPE(20:0)>LPE(20:0/0:0)_feature2 47515.40126 50241.82898 54186.95919 64392.16703 46330.21632 62153.16382 63884.61735 74159.77174 73636.75574 43836.11381 62246.35171 70795.3044 54866.34062 55775.11362 82578.25163 41791.38386 71715.28628 65631.76466 57417.75615 70841.51145 66992.09399 54899.74868 49967.65296 68195.00484 52384.95732 62010.48715 93789.0365 60299.75857 70328.91825 57473.99249 69609.55365 66229.37225 66092.76774 76707.61078 64673.56685 45251.1268 64461.18674 68448.3584 66002.98176 79493.80731 64763.91351 47848.28696 61243.77146 77392.74821 64424.91814 78212.9657 79448.38579 65656.44333 81685.88898 60928.71211 53915.78872 42703.88426 56671.29244 49470.68052 67162.84996 66112.46905 64599.22723 59753.05433 69106.59029 66255.80612 64235.84381 66346.85504 65315.87594 120.5751441 238.05398 214.2411228 95.87900973 149.6491618 226.6284103 LPE(18:0/0:0)_feature2 113005.6877 109943.3294 124837.8671 136614.122 112809.4989 152043.3583 122836.8886 125893.2019 152986.9852 93468.41514 120951.1246 137540.4141 129161.8479 120624.7013 160647.0818 94289.59007 143389.4055 150131.5268 124426.8257 156351.6661 140829.9691 127493.4945 97335.1475 138413.2585 121437.1942 143883.3198 191661.1106 127388.5211 143297.8554 124407.8127 152824.033 133160.9084 121556.1559 150425.0473 135325.6416 95215.60848 117940.8257 116749.3779 128161.1675 147585.3551 133384.379 120484.0167 123878.7044 151238.85 123259.2917 145892.9056 175864.4211 136685.7291 138784.9722 100858.6083 113307.9723 110053.3047 123452.1524 131742.7037 137140.8103 134223.304 133211.1815 127154.8339 129590.0542 121390.8755 136659.2039 140257.7641 132705.1491 114.605936 140.2341822 141.8628184 88.71079753 106.7616457 115.6490313 LPE(16:0) 75605.99075 60834.21132 70967.1715 74298.46144 63290.99753 91917.79005 67868.00379 77768.6528 93734.66492 60176.73896 77314.18952 84814.29918 86350.78163 81518.51597 87226.72118 60110.69074 93926.75928 93396.32923 74128.41573 97161.03231 92404.56506 74769.67218 62632.35994 82179.15834 76462.23687 88443.25995 116635.0441 73300.56737 90043.52575 71825.80177 91223.17796 77857.2556 78980.58706 100132.3219 86841.03802 55705.03158 83913.89448 78913.72406 80566.46855 90002.86943 82623.25551 74751.27908 72159.35091 90064.55521 73670.70922 88924.57116 106623.415 82550.74307 77906.14769 58687.8058 62985.25574 59707.78293 76881.85166 73446.35096 81181.76561 78308.30406 81906.8587 80383.75182 77907.33364 79921.31057 81533.86085 81285.03092 79012.16062 150.955717 145.2902738 144.7380512 130.2066373 131.8484071 146.5935788 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_M+H2CO2_feature1and2 145714.3609 95159.12975 129146.9992 131966.3168 96070.01648 149513.6851 139411.9805 140969.8428 177005.7259 107307.8813 104051.091 104684.4449 110507.943 106667.3475 105726.8805 69413.25785 120876.4703 135991.8027 122341.3364 115730.4502 149912.5093 123889.483 111845.992 144551.5917 123716.2326 111045.127 161180.4656 94528.74531 117123.9127 89610.19608 166432.665 121837.9025 147468.4819 170935.3936 148899.4876 97506.167 152720.8454 137647.1208 155077.2303 177960.1197 84202.65497 88458.73549 80716.19697 114827.8716 92453.23159 112523.5186 138234.9535 99053.012 118140.8945 74012.8832 126923.2879 126646.3818 144450.0123 147163.3327 130172.4488 121097.8014 123695.1976 125149.8391 129136.6206 123576.2582 127563.2509 121559.1715 127900.837 236.5860151 274.1432328 279.0828565 238.07763 276.3110106 262.7828012 LPC(18:1)>LPC(18:1/0:0)_feature2 81949.38557 85847.57973 120974.4782 119788.0596 108173.7352 135888.1587 89633.29931 96896.12675 118562.8469 72537.45377 84219.76784 84833.75557 100047.7574 98707.85114 97513.82822 85269.10284 128901.9428 118905.2235 84900.9208 114922.0372 103062.5237 97794.78983 72962.12951 97282.55418 84633.07975 96671.57905 138149.8179 88487.42443 105860.1602 86825.00777 110907.4854 82892.43591 101581.983 111843.0725 99171.54109 64343.14162 90897.25727 94851.01685 109956.2572 117761.1637 81452.13949 73505.71304 77008.19632 85873.66292 78102.03178 100157.3609 112929.1067 81504.34574 88688.31575 64545.6397 75398.85095 76662.04319 81297.41953 83044.29726 95876.87003 91648.33303 95764.77272 95085.23057 91917.88628 94186.75441 94870.2875 96339.91021 92781.75632 178.1980246 170.7704277 171.1618694 154.7193182 156.6155852 161.8436513 LPC(18:0)>LPC(0:0/18:0)_M+H2CO2_feature1 84911.79999 80771.31237 107979.0943 106294.6681 27576.58763 46777.61726 100703.2025 107632.7758 111792.2743 69481.69451 112442.0077 112476.8541 88384.57989 103981.8058 190369.3281 84620.15628 122236.9279 94429.08067 116302.8251 136838.2888 98351.85813 102662.6519 87984.79737 102896.4616 92937.75579 109730.3023 254157.2419 85709.22762 135656.0434 99274.32782 208895.382 94905.67253 1623955.776 177508.4774 97413.09392 100797.8393 143373.2891 113899.6152 108069.6887 116138.8093 149214.5171 78834.61277 102635.5777 2014149.056 131253.1394 187202.8201 125004.0826 106581.2228 169583.8955 106886.709 90987.63877 56053.51477 28324.76728 69934.05399 118611.1557 105024.1597 99489.27658 101562.4136 115390.8591 97625.6728 110362.4665 108305.79 110258.1814 1531.314877 489.0793308 528.0824888 1583.391136 427.6140663 397.6846946 LPC(18:0)>LPC(18:0/0:0)_M+H2CO2_feature2 1259607.441 1349747.039 1456396.579 1630323.373 1368428.843 1718308.12 1478173.566 1611929.432 1948275.238 1166590.314 1601238.654 1722518.062 1484703.544 1426983.5 2245935.144 1158217.486 1916636.477 1783660.965 1631579.4 1781732.131 1775034.269 1493696.84 1340202.059 1711778.493 1422814.522 1658558.873 2214340.548 1648843.641 1937044.678 1504353.003 1984594.116 1601094.725 1690874.39 2166751.082 1619838.206 1242357.707 1664764.548 1592465.83 1704081.79 1915983.715 1556219.788 1200165.415 1458658.419 1960278.224 1455163.008 2057692.094 2105515.377 1651851.464 2203191.192 1378218.717 1335414.915 1236236.21 1403720.465 1320488.129 1658276.098 1644135.224 1645634.092 1586426.32 1671720.776 1678210.758 1603447.346 1658716.425 1646635.857 1706.623179 376.9663952 704.1717687 2085.026848 756.668567 917.7761669 LPC(16:0)>LPC(16:0/0:0)_and_LPC(0:0/16:0)_2M+H2CO2_feature1and2 924428.679 917879.7074 1109271.118 1156772.249 1023419.973 1245568.455 1019591.847 1128207.227 1359069.679 772920.9734 887369.7887 922200.1813 913688.5002 930345.3839 953452.6543 727546.5119 1171962.737 1094800.222 889897.8217 1076185.866 1261584.324 1080953.546 893574.7417 1089102.639 957195.5813 981834.6164 1335253.685 904337.0416 1048991.432 807246.2524 1234348.606 942162.7488 1104985.501 1384198.016 1160122.015 794741.4508 1056504.937 1067168.153 1144390.944 1333243.289 901620.1399 743530.2274 812169.2253 917930.5007 828197.9282 1008933.715 1151054.321 912149.3796 926940.1173 665711.442 888329.3164 815740.6262 975756.5388 953855.7523 1044448.267 979817.5465 1021639.699 974214.5262 1028218.204 1008315.729 1009987.001 1034721.801 996943.884 1511.596656 388.1508104 489.5587149 2143.186211 833.2825066 1003.09095 HexCer(d42:2)_M+H2CO2_feature3 46355.91844 44274.21284 52920.09728 54446.99492 57671.7096 64077.92552 82202.86619 63739.08808 82976.73138 48093.00779 74417.95064 86348.36187 68172.44568 73533.69915 78364.15371 56488.33624 79397.04544 80856.73384 67657.71834 94573.33539 75340.19676 39168.69891 44680.79111 54325.03013 66866.50591 59745.66599 115043.8855 75102.76502 85541.61544 83610.04841 82167.95274 68039.76956 83014.53156 78619.60469 63218.38267 56097.23357 84023.46034 82747.44769 88516.71126 80348.50233 104481.2557 87936.17835 64132.78659 112666.2222 67070.49917 101900.6374 86976.02902 115326.3352 85034.0216 92871.54396 112335.2745 77230.55832 99196.26788 68088.59102 87386.96498 81860.8386 57040.44009 91843.33309 53365.86217 82309.5799 79083.42721 81089.79031 76339.08055 159.4051641 164.118565 209.5563142 103.9520413 138.8820303 127.2779961 HexCer(d42:0-OH)_M+H2CO2_feature1 21777.4475 19062.10168 18686.69936 28538.23701 23670.99638 31883.16056 28731.32538 31837.66366 43998.52446 21395.5109 26012.17827 30699.58023 24841.25112 31480.15643 36624.35375 20764.17667 39597.40575 33111.12059 23147.28346 36067.44316 32514.11204 24940.10435 21828.21882 27138.62831 32926.70375 31848.04988 45800.13675 29228.91319 35703.00652 30386.34891 46140.57819 35751.46964 36872.52244 45918.948 34682.73929 18254.4132 31346.46495 32225.37616 33558.53743 58459.37288 37419.70972 29429.48605 31946.26332 33499.1058 36163.43385 31975.98594 39265.94091 33609.59388 31021.80607 25465.50334 24766.70262 26539.57094 39801.04395 29997.34346 27061.73876 35742.90117 21766.56497 22330.20274 30738.13074 28636.18952 26324.41751 26664.65268 29843.78728 147.3982146 186.7351622 171.7364254 106.7089627 115.235846 131.1417466 HexCer(d40:1)_M+H2CO2_feature2 18072.18781 16364.85397 24814.02953 28141.17505 23233.33574 21603.27851 18204.23057 25432.89378 28386.23616 17590.2427 24207.19911 25883.25647 25923.40613 23578.12353 35645.64124 18853.1525 38924.9182 23616.03243 27140.66049 29398.62314 17558.26736 19470.62794 21407.05656 18494.64543 22512.72447 22897.26117 29731.47711 25564.62936 32969.31858 27816.92197 23860.9832 18591.46999 19111.59916 24266.18056 22692.16627 20873.64524 18748.92124 23650.83956 28738.24219 25524.43935 25204.924 25073.9833 27325.75058 25123.82276 25134.60553 31858.73418 35294.34813 28222.81138 25831.53393 25628.2899 17552.78958 20280.73193 24962.18709 18657.7267 19494.24177 29305.5153 22245.04716 25615.64569 26690.72324 24835.60625 23822.31874 25797.62898 21996.00877 138.7889669 133.8588529 158.4195876 108.4766606 140.7321383 126.9013363 FA(22:6)_feature1 62923.45385 28081.11538 31921.30091 39880.0402 32486.07718 51267.28903 55586.06297 52933.61856 41988.65413 23042.79477 54819.70279 35760.66982 93019.12587 78437.49765 64309.18891 33684.15186 43070.43294 65564.12835 85147.48614 49705.06495 56918.2536 29164.93832 48360.13097 66923.39464 31936.41319 44411.20601 146247.5122 33358.4081 50230.12968 110852.0458 70344.45285 46696.8764 81034.25249 49983.37189 42827.02658 34535.24635 44540.28768 44970.87764 39644.15267 80463.0591 62807.35197 74596.55103 47564.70467 77235.54237 36045.69036 77299.05612 91483.05638 34069.83324 61431.03673 40416.72577 28511.29509 22769.101 44536.95166 34558.05872 54525.73471 50401.53164 51355.18613 48993.20991 52944.976 50540.94984 55452.20652 48300.7248 52962.11828 115.6041407 271.4265915 292.8639843 80.06658021 229.2197241 213.1037116 FA(20:4)_feature1 153800.2881 51595.43959 68275.40069 55331.93584 42948.04256 91940.50484 106902.1347 91176.63926 57147.05748 36711.75073 80159.23134 45201.36802 91672.78275 116174.7291 81519.69806 38248.00224 51503.96375 95061.96912 75522.78196 59091.65871 61010.18614 40078.45084 66275.6083 82078.60195 44402.69153 47504.69412 182431.7555 40220.50545 69563.29801 76809.23824 90228.86277 76045.10498 79572.60116 62676.22018 63801.46891 40002.57365 60436.05178 74008.02044 59314.18226 76259.84664 72315.92441 123322.7196 50895.49243 59243.16368 52995.04726 107999.0405 118216.0768 55062.08493 57279.76499 33767.71387 78437.63358 78595.79756 103619.5008 103052.8822 69226.91885 71781.71518 68419.95547 70153.25862 69953.00396 70008.14947 71042.64055 72149.48224 67405.81196 112.7696298 137.9622074 128.3526899 86.66016175 112.8818523 112.9717778 CL(74:9)_feature1 21123.89701 19539.60324 17375.13483 29833.53658 19717.84661 17184.26423 28038.42999 36174.94619 43947.6778 29507.26284 29975.99827 33127.12913 25793.30791 29937.8905 30743.10667 23927.05775 37763.27366 37547.21903 27202.8283 31111.38688 28966.9234 20133.38966 23508.75588 28468.18943 25917.10767 35791.82744 28403.04141 20001.82468 36946.71502 31610.96897 44961.44322 34287.72963 27288.8164 39179.32956 33726.28045 17251.15261 31584.47047 26012.14897 28551.86762 35655.39701 36661.44365 35716.20969 34092.43327 38923.32172 25034.71649 36814.78272 46167.35023 27886.43511 29938.44064 17744.39514 33418.15907 35946.69798 31696.04419 29851.97661 30807.53549 35538.01815 32400.59654 26654.35139 30274.45118 32364.90799 31559.63486 32015.77383 32754.91251 237.1245414 213.6706704 233.0115273 213.1049101 205.3723933 209.102698 CL(74:11)_feature2 54450.07961 88066.96946 132572.9761 69052.5188 78844.27603 104284.4394 68848.63402 94396.45836 134192.4071 83706.2609 79885.25746 89363.81807 82278.8217 83413.81884 53811.62178 64484.70136 118499.4936 73638.48 87927.56154 88424.27931 60778.40544 89237.16376 112869.8021 113249.2875 55401.43057 82304.32624 131838.5113 91803.1658 119183.2411 65376.55038 78878.20097 97227.37152 90885.08091 119342.7338 78720.60687 59317.19999 47362.28005 109427.7809 73595.7429 117001.5751 89713.25455 70090.49615 97419.5871 101248.6191 73717.13059 97761.45649 149720.9388 67533.38854 82860.34464 59780.83906 93738.23637 86282.06999 99768.26097 120530.2585 87368.70079 88550.58646 104327.0547 103029.5364 64355.65939 106456.4312 114966.5914 89056.18274 76144.99326 186.9999182 178.2271152 173.169336 214.1219561 196.680492 208.828336 CL(74:10)_feature1 61018.50464 48937.02096 52830.08974 60774.7841 43958.46275 45637.20788 47338.6548 54794.84784 70779.25808 53891.35212 50887.58888 57718.5795 45544.58382 51159.38058 44939.38441 49173.80924 67529.82421 56176.32976 57702.58544 45324.55994 59354.36258 37983.75208 50288.79485 50370.67156 46188.52325 77471.79085 61841.4485 65775.7125 63464.79439 48133.19905 82609.95425 44947.279 62034.96309 55136.39229 49801.73253 50173.69612 56252.11355 71382.12684 71304.58335 67141.07755 49896.7462 53596.61611 55010.81713 55262.13061 39408.2048 68473.68042 82735.4743 49445.80669 65431.24382 45765.92601 59488.98188 73936.7128 56718.26705 56293.00527 72308.28452 54860.21633 58750.36466 49835.7014 62083.39313 51021.80726 85716.01268 53016.66193 57740.6222 194.9841675 175.3654131 171.8294951 231.7424902 220.1777094 218.6730434 CL(72:8)_feature1 264779.0229 300912.0797 443717.3647 351669.3267 252585.779 416139.4931 263524.4622 343114.7047 433783.0096 255380.1336 298213.2101 332743.6584 306532.2456 260438.7931 330782.3137 241700.9627 453398.8966 365989.0922 269976.7458 359440.3109 342527.5335 304512.885 349813.065 342642.0298 316494.1787 327889.4747 520054.6209 354336.3252 395862.1179 326259.1606 505729.1274 418239.0306 276416.5323 476258.6299 295641.8551 228332.808 286312.411 372811.3767 304805.9613 385987.6826 357205.3427 311860.7029 343499.1989 376839.4386 249241.6136 378975.3368 537295.8909 316695.0125 346998.1341 243751.7102 473348.7579 466969.6849 403456.0788 356549.3506 356946.8408 350992.5687 358589.166 343830.1141 342766.9102 344302.3637 350827.1672 350859.2522 361939.1707 783.6806938 860.832046 791.2032899 740.1190772 703.3846513 301.9808321 CL(72:7)_feature1 202643.7899 192148.6399 273938.4093 256297.6599 171826.6308 244910.7714 215474.8985 265449.1651 346720.7675 215004.5719 240639.6358 304309.7149 225226.9775 214607.5277 244736.4662 195013.6906 333200.3856 279380.8388 231158.745 259771.6017 261023.0428 178370.2298 229696.2958 258412.7032 217173.4927 292027.9179 420088.5216 267838.1157 350627.5776 251069.7563 380080.5063 266684.6825 228816.3735 335527.6694 258737.7309 190128.991 279490.4565 284584.3592 229405.2654 308701.6813 294843.1053 246074.5189 280983.7942 314270.2323 202129.921 320500.1807 432642.7046 256671.01 302733.116 191021.0949 288762.3762 314609.092 259512.2523 269597.9791 278414.6822 263870.0699 264218.4429 274321.2522 267063.118 254392.3856 273248.3801 269641.8462 275157.0628 988.4682498 879.4227531 919.337273 1169.620945 937.1782033 997.9916335 CL(72:6)_ feature1 76710.60316 63348.93209 87124.18093 73080.82714 58755.93903 85482.51491 85785.98434 118263.3088 126101.8724 87435.677 98275.84801 106511.738 75990.19028 90887.70565 95054.12932 69556.0675 117746.6339 114629.9794 73163.01944 102361.8773 86867.92942 60254.82455 77450.66254 85722.96357 77712.04657 100928.7103 148844.4874 100750.3806 116162.2743 92012.83771 148458.2018 106955.584 79870.55377 128491.8517 109659.6467 69950.04568 103123.4786 111443.0741 86353.41993 105000.3184 114572.0422 94574.35994 111047.2568 126772.99 77004.57257 117456.1448 143315.2539 93688.84643 114867.6167 79404.35614 107678.8839 102866.7776 102303.3454 90901.72898 92301.32417 105654.266 103249.6639 94312.44156 100432.7683 90669.55525 94280.86855 102140.9491 102063.6969 247.2507681 222.3405935 241.9733788 197.077842 186.2766646 178.9420318 CL(70:7)_feature1 16742.80226 9974.8946 17244.61343 14145.54958 9208.685832 14355.56631 17629.86408 20331.08956 28107.53024 16556.22719 19235.73777 29528.20314 20100.51741 21509.70493 18309.24629 15155.61159 23007.1838 24705.91069 20135.85399 20254.62445 17574.36387 12365.52003 16325.38047 20248.90725 14769.53579 21498.76645 35489.60733 21714.77909 24167.56019 20382.94644 27873.44839 17644.53918 17299.06897 27082.94547 20497.5968 12924.18729 19987.8474 20217.47539 16119.10165 21746.95035 23964.99836 21874.17248 22942.5595 25791.64148 16931.41123 25090.53895 32300.59188 21221.37959 19701.44981 14991.00902 23289.5922 20080.9433 19304.32786 17427.05829 19940.7325 19682.32264 22054.78628 21801.07324 21192.3833 19544.45021 20272.52917 19806.24405 21545.47137 197.4440712 206.2094424 173.0093345 176.2844374 170.5009181 161.5386542 cholesterol sulfate_feature1 1409696.023 1312455.453 1575216.889 1649693.25 1406078.364 1659001.901 1755717.357 1926710.564 2023201.236 1592598.502 2544677.265 2531742.49 2439541.554 2418439.813 2555745.222 2183602.031 2445717.82 3143426.034 2369743.624 2492125.19 1907518.13 1564760.775 1665289.716 1829675.268 1705769.74 3046549.6 3330598.307 2445317.746 2843492.978 2234426.65 2220879.366 1952575.366 1849160.219 2324456.319 1978060.941 1425598.336 1724923.851 1922116.398 1836954.93 1994482.655 2564997.069 2226986.417 2616400.155 2685478.192 2137586.284 2590879.195 3353164.398 3265907.669 2464746.464 2068752.049 1646279.708 1653684.109 1723737.483 1699344.779 2253039.656 2215347.06 2164044.197 2166312.758 2266163.629 2273898.462 2278698.076 2256669.84 2116494.835 467.5565735 413.5672894 515.5525203 840.1687624 635.6592104 672.3330865 Cer(d44:1)_M+H2CO2_feature1 54869.6685 51651.33518 101564.0192 95805.01472 142294.2947 73069.43696 68466.17661 107502.0735 129950.9249 58528.10685 33056.69467 81844.76197 35406.49108 64809.31251 97123.14623 63256.61851 85399.39033 55438.84237 56972.39472 62120.60297 107861.767 63196.22635 90991.7461 68583.28726 78140.0233 68277.95909 94645.33828 84817.15955 75764.17256 103816.403 92369.53349 93355.41151 66462.04304 108910.5031 77328.08034 98694.24881 61511.0063 79485.52557 100668.3115 121452.7176 49764.93725 40540.31355 31262.39228 62994.30268 46869.06822 43318.75101 58664.18691 52676.34011 74042.85401 43611.37905 65024.35647 68736.14771 51832.007 55193.09116 71764.90719 68474.7149 71427.43287 67366.71987 68351.51124 72902.9436 68991.36545 71886.16173 68895.05729 198.6234007 190.3963771 186.3916298 228.6947122 195.8716566 201.9805108 Cer(d42:2)_feature3 369724.0713 416218.8534 567321.309 447681.4159 449016.8821 487502.3645 486075.3998 529510.111 522054.5427 390240.8931 408084.6094 616755.2832 518888.6981 450600.7084 423934.9938 323915.7511 518037.5088 537159.2795 473189.9025 449531.6476 492151.8281 484359.9702 542437.3537 515999.3451 487408.2364 574176.8552 574991.9851 437371.5657 615593.4514 307542.9511 597384.2725 409615.1902 529860.326 468523.3771 535905.7105 425611.8609 482689.0938 417319.6001 428082.4668 768610.4809 410771.5833 380507.1627 501374.9175 452291.3794 367597.4824 507625.1723 744054.3713 624911.5649 484406.7158 305470.6022 391896.7008 556075.6099 393536.7971 550765.1426 393237.1631 402815.0189 429139.6511 371799.678 378184.7745 455501.4291 446038.8227 296629.9308 438215.6735 194.1935086 183.9088971 221.1144237 291.3997592 340.0735866 327.2280553 Cer(d42:2)_feature4 663187.5901 639450.9763 682810.0557 752151.1777 579031.9418 815829.5388 877778.6657 812033.3181 1114114.881 632715.5951 670156.865 920820.1669 843280.8922 813348.4031 676843.062 511592.4962 787208.1488 729572.2799 783004.8313 715612.066 1007025.923 837549.8627 768834.9422 1016033.433 1024078.181 709235.1729 1202417.561 756214.3866 1013427.943 610217.9943 1049506.883 825958.8775 844852.5432 980647.9422 835336.5517 619200.1842 904824.1345 1005155.758 767477.4331 1109399.917 742585.5823 622795.869 712611.4175 810710.0097 597954.9254 780524.646 1133154.132 791355.3001 761709.06 555691.9661 747307.4616 795069.8131 860302.9479 976876.9534 791507.8308 702192.8937 736985.5799 676121.3065 698515.379 781189.4471 679126.5067 758287.1982 761425.8521 469.9220638 1100.929809 423.4673681 546.1661827 498.8669945 511.9795168 Cer(d42:1)_M+H2CO2_feature1 1455985.668 1332557.454 1882065.41 1635696.753 1447389.97 1867915.407 1666406.423 1976571.518 2070513.633 1538464.929 1161060.981 1409941.965 1388634.884 1340175.501 1310049.151 990342.9701 1489835.311 1389211.95 1316910.984 1478477.513 1859992.006 1749506.018 1904149.323 1949883.423 1760065.66 1383449.75 1995627.694 1280568.398 1634075.901 1161606.915 2231679.858 1856984.499 1907059.626 2196443.302 1936454.055 1455202.304 1833724.284 1820521.329 1811237.769 2662956.934 1274136.189 1043364.027 1239209.824 1338528.324 1026684.682 1279148.015 1773472.964 1382808.058 1382680.716 1036451.186 1787240.615 1885113.312 1805778.54 1963704.345 1557040.073 1492180.579 1545064.963 1462835.219 1453503.204 1444993.772 1481964.84 1552173.473 1572322.74 468.8018989 432.5276149 494.4746262 586.0820252 552.2686281 586.1016983 Cer(d42:0-OH)_M+H2CO2_feature1 71126.33318 92979.79079 94652.82981 113780.5828 100352.0117 111085.0029 113231.6748 122149.7848 159157.6195 76940.70772 90896.01243 155320.2898 125695.4578 159037.0939 176230.5139 85793.04831 141038.367 126749.1233 132494.4447 156027.5861 142420.9766 109696.1602 116283.4646 103813.6603 107093.7012 144548.8403 196832.1219 143456.3579 159281.0246 110240.3908 156003.4064 118266.8767 112741.5626 137652.8182 119864.2754 89856.44809 119179.9495 111425.0376 140873.2803 162320.88 131385.1907 116404.6668 139443.0222 161439.2377 132429.6089 137691.4579 180014.7568 148389.8089 144850.1006 104299.9211 94607.07271 92265.10301 84042.71202 84291.49449 119044.2672 119655.3839 122708.7637 114996.2555 114449.8037 120412.4545 119086.1728 118410.4389 120939.7723 136.2345314 138.838625 132.8168491 160.9001081 136.4344646 138.3426962 Cer(d41:1)_M+H2CO2_feature1 49511.79474 63872.26952 78283.78236 71790.88246 67186.28344 79018.86193 65933.74778 83319.47147 88568.58547 48754.47132 54448.04225 93346.0613 89822.35597 75630.74066 90286.2308 51870.32056 91603.32251 80146.80007 70508.58575 95851.68499 84936.86576 77319.9 75992.55472 64892.74897 65713.62229 90514.17345 115434.8792 82820.54453 98131.98508 66914.66056 90217.59069 85594.60529 68660.49281 83112.89372 77286.75645 74603.69571 69257.55276 72734.02824 77146.50366 102645.7508 73031.773 63044.03337 88523.13564 90982.65312 72411.27829 81344.87961 117750.0989 92734.54298 85112.44366 59869.58843 59727.84101 65659.91347 53760.74579 66507.90008 77195.20834 71276.73532 72321.09458 70914.57702 68476.50854 75220.42073 67030.70908 76566.76268 76033.83682 123.786095 112.954496 127.4955177 148.3884621 132.6753853 134.6649008 Cer(d40:2)_M+H2CO2_feature1 61785.04442 62055.22801 64069.79026 62717.91193 50776.9553 69678.26906 78773.53128 71733.60415 101035.9936 50652.87054 72326.56935 126623.5089 103537.2694 98218.8217 83980.31688 57475.70477 95984.27571 86913.53499 97679.92894 92803.1857 97588.45436 78763.81451 77632.73907 96992.81168 78057.61763 84677.53315 157201.6776 84320.00546 115535.046 69895.10879 93382.84521 69452.35068 72250.89912 83340.87823 70091.33915 62886.9616 80363.7368 82808.90115 64227.16955 98294.27017 89959.04411 71473.48946 103344.4133 96491.04559 77680.21391 106042.9625 180659.6213 107981.9206 106432.8118 66345.59527 56558.28647 72978.72317 65238.62887 81589.83161 72467.31809 75675.64203 84632.20847 76084.43642 74593.06275 77878.56241 73764.84107 77363.61407 76325.54151 104.0803118 124.4088063 124.5395947 139.5117181 145.0411719 145.0690977 Cer(d40:1)_M+H2CO2_feature1 152494.2421 178767.4271 230381.5843 240059.8233 193899.8748 213506.8287 224257.4619 248652.7918 267023.2309 166228.3195 177638.2595 301584.8738 229855.5668 245526.72 239552.2897 149870.0813 247643.3878 233538.3325 227464.9716 236140.6421 236809.7854 204010.294 242633.6576 227182.5963 241585.1317 236655.9797 302270.1394 230835.4355 301324.9361 170838.3977 272061.4405 210952.0958 214251.6053 226096.1202 241934.061 185526.4777 191886.1499 196782.1896 220976.2654 311631.3272 218568.1954 182224.2967 250142.6792 267867.0924 171879.1521 266834.7174 386316.5149 294396.9276 268397.0267 164847.0653 182430.1924 235551.647 183667.8656 238875.3421 214922.1023 191309.9442 198734.5147 189033.7715 184261.3926 213223.2808 195553.5499 203192.1442 203232.8703 109.5792793 106.4216058 130.5651052 150.9696484 167.5831847 189.1120162 Cer(d36:1)_M+H2CO2_feature1 44895.66931 40038.42098 48124.06065 53586.6746 44924.04433 52469.30391 55723.99596 61197.95715 70891.36768 40191.23114 52976.34339 68049.08058 54565.7493 65241.72114 61875.64345 35118.22863 61330.67148 59616.69354 54534.8216 60979.86751 53440.41714 48916.86628 53158.76021 50866.06564 45782.2369 60125.17103 87384.82973 47793.02354 72353.55507 48837.53807 73177.85677 61266.73625 50834.66512 69451.37497 55298.31557 47813.81905 51169.79307 59920.25344 56734.06969 73001.52281 56943.36979 47170.22235 68361.93401 68498.43332 49015.18686 66650.58507 87626.81447 68070.11569 70692.27998 42714.26921 48969.17705 52668.4578 49726.32446 53799.20953 49594.74979 57910.16445 56812.68389 56230.61675 54371.29774 55490.99324 55305.38611 56233.41896 52107.17086 177.4928652 186.2625047 180.215661 148.9205026 154.2380695 161.2637331 Cer(d34:1)_M+H2CO2_feature1 541504.9877 422469.6478 570004.8901 489166.1849 498967.6034 573529.1479 554741.3502 672980.7937 581037.5972 497365.7511 497673.7541 546496.2625 489008.0203 558398.3471 483886.7879 380293.4772 554328.4736 554091.2898 468704.8564 513709.4984 520207.4779 524694.2667 610322.9596 537033.4712 513776.2548 462375.6184 669319.8184 396323.9263 550403.1124 468984.7894 687418.1245 555047.1691 514572.2563 590191.7099 636013.434 514684.8925 593559.669 543859.6193 564968.7891 783775.2152 406810.6267 443426.5873 518463.3325 475095.9323 400875.8053 544078.1758 729680.2527 584541.6641 471871.5664 375505.4068 610225.966 609351.5501 545536.2511 503861.6938 538926.6121 541732.1739 520792.8171 546672.387 523197.6899 537695.5333 545824.88 532312.6418 534194.396 216.6231729 261.3924878 307.687692 165.1534498 286.9623124 245.0366954 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 782.6375634 783.6448 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_[iSTD] M + H2CO2 4.55 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[iSTD] C39 H68 D7 O10 P 740.5463234 741.5536 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[iSTD] 4.57 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[iSTD] C38 H67 D7 N O8 P 709.5518334 710.5591 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[iSTD] 5.18 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 485.3372734 486.3446 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 797.6042634 798.6115 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[iSTD] M + H2CO2 4.94 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 573.3898934 574.3972 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_ and_PC(0:0/18:1(9z,d7))_[iSTD] M+ H2CO2 2.25 GTInternalStandard_PI(33:1(d7))>PI(15:0/18:1(9z,d7))_[iSTD] C42 H75 D7 N O13 P 828.5630134 829.5703 GTInternalStandard_PI(33:1(d7))>PI(15:0/18:1(9z,d7))_[iSTD] 4.39 Sulfatide(d44:1)_feature1 C50 H97 N O11 S 918.6711734 919.6785 Sulfatide(d44:1) 7.09 Sulfatide(d42:2-OH)_feature1 C48 H91 N O12 S 904.6188534 905.6261 Sulfatide(d42:2-OH) 6.19 Sulfatide(d42:1-OH)_feature1 C48 H93 N O12 S 906.6355834 907.6429 Sulfatide(d42:1-OH) 6.82 Sulfatide(d42:1)_feature2 C48 H93 N O11 S 890.6393034 891.6466 Sulfatide(d42:1) 6.88 Sulfatide(d41:1-OH)_feature1 C47 H91 N O12 S 892.6198134 893.6271 Sulfatide(d41:1-OH) 6.63 Sulfatide(d41:1)_feature1 C47 H91 N O11 S 876.6240734 877.6314 Sulfatide(d41:1) 6.72 Sulfatide(d40:1-OH)_feature1 C46 H89 N O12 S 878.6030834 879.6104 Sulfatide(d40:1-OH) 6.27 SM(d44:2)_M+H2CO2_feature1 C50 H99 N2 O8 P 885.7065634 886.7138 SM(d44:2)_ln_a 7.26 SM(d44:1)_M+H2CO2_feature1 C50 H101 N2 O8 P 887.7231934 888.7305 SM(d44:1) 7.51 SM(d43:1)_M+H2CO2_feature1 C49 H99 N2 O8 P 873.7070134 874.7143 SM(d43:1)_ln_a 7.35 SM(d42:3)_M+H2CO2_feature1 C48 H93 N2 O8 P 855.6603934 856.6677 SM(d42:3)_ln_a 6.42 SM(d42:2)_M+H2CO2_feature1 C48 H95 N2 O8 P 857.6770034 858.6843 SM(d42:2)_ln_a 6.85 SM(d42:2)_M+H2CO2_feature2 C48 H95 N2 O8 P 857.6769934 858.6843 SM(d42:2)_ln_b 6.96 SM(d42:1)_M+H2CO2_feature2 C48 H97 N2 O8 P 859.6927334 860.7 SM(d42:1)_ln_b 7.18 SM(d40:2)_M+H2CO2_feature2 C46 H91 N2 O8 P 829.6450634 830.6523 SM(d40:2)_ln_b 6.52 SM(d40:2)_M+H2CO2_feature1 C46 H91 N2 O8 P 829.6450634 830.6523 SM(d40:2)_ln_a 6.3 SM(d40:1)_M+H2CO2_feature2 C46 H93 N2 O8 P 831.6612834 832.6686 SM(d40:1)_ln_b 6.9 SM(d40:0-OH)_M+H2CO2_feature1 C46 H95 N2 O9 P 849.6710034 850.6783 SM(d40:0-OH) 6.7 SM(d39:1)_M+H2CO2_feature1 C45 H91 N2 O8 P 817.6442934 818.6516 SM(d39:1)_ln_a 6.71 SM(d38:1)_M+H2CO2_feature2 C44 H89 N2 O8 P 803.6291034 804.6364 SM(d38:1)_ln_b 6.35 SM(d36:2)_M+H2CO2_feature1 C42 H83 N2 O8 P 773.5805434 774.5878 SM(d36:2) 4.62 SM(d36:1)_M+H2CO2_feature1 C42 H85 N2 O8 P 775.5970934 776.6044 SM(d36:1) 5.36 SM(d34:1)_M+H2CO2_feature1 C40 H81 N2 O8 P 747.5667734 748.5741 SM(d34:1) 4.47 SM(d34:0)_M+H2CO2_feature1 C40 H83 N2 O8 P 749.5811034 750.5884 SM(d34:0) 4.79 PS(O-42:7)>PS(O-20:3/22:4)_feature1 C48 H82 N O9 P 846.5632634 847.5705 PS(O-20:3/22:4) 6.71 PS(O-40:7)>PS(O-20:3/20:4)_feature2 C46 H78 N O9 P 818.5316034 819.5389 PS(O-20:3/20:4)_ln_b 6.24 PS(O-40:7)>PS(O-18:3/22:4)_feature1 C46 H78 N O9 P 818.5316034 819.5389 PS(O-20:3/20:4)_ln_a 5.93 PS(40:8)>PS(20:4/20:4)_feature2 C46 H74 N O10 P 830.4953234 831.5026 PS(20:4/20:4)_ln_b 4.27 PS(40:6)>PS(18:0_22:6)_feature2 C46 H78 N O10 P 834.5648734 835.5722 PS(18:0_22:6)_ln_b 4.76 PS(40:5)>PS(18:0_22:5)_feature2 C46 H80 N O10 P 836.5438534 837.5511 PS(18:0_22:5)_ln_b 5.03 PS(40:4)>PS(18:0_22:4)_feature1 C46 H82 N O10 P 838.5604034 839.5677 PS(18:0_22:4) 5.63 PS(38:6)>PS(16:0_22:6)_feature1 C44 H74 N O10 P 806.4980834 807.5054 PS(16:0_22:6) 4.03 PS(38:5)>PS(18:1_20:4)_feature1 C44 H76 N O10 P 808.5133234 809.5206 PS(18:1_20:4) 4.26 PS(38:4)>PS(18:0_20:4)_feature6 C44 H78 N O10 P 810.5280334 811.5353 PS(18:0_20:4)_ln_f 5.93 PS(38:3)>PS(18:0_20:3)_feature3 C44 H80 N O10 P 812.5438434 813.5511 PS(38:3)_ln_c 5.37 PS(36:4)>PS(16:0_20:4)_feature1 C42 H74 N O10 P 782.4982934 783.5056 PS(16:0_20:4) 4.2 PS(36:2)>PS(18:1_18:1)_feature3 C42 H78 N O10 P 786.5297334 787.537 PS(36:2)_ln_c 5 PS(36:2)>PS(18:0_18:2)_feature4 C42 H78 N O10 P 786.5296834 787.537 PS(18:0_18:2)_ln_d 5.15 PS(36:1)>PS(18:0_18:1)_feature1 C42 H80 N O10 P 788.5444134 789.5517 PS(18:0_18:1) 5.85 PS(34:1)>PS(16:0_18:1)_feature1 C40 H76 N O10 P 760.5129534 761.5202 PS(16:0_18:1) 4.91 PS(34:0)>PS(16:0_18:0) M - H + Na_feature1 C40 H77 N Na O10 P 784.5108734 785.5182 PS(16:0_18:0) 5.69 PI(38:6)>PI(16:0_22:6)_feature1 C47 H79 O13 P 881.5181734 882.5255 PI(16:0_22:6) 3.96 PI(38:5)>PI(18:1_20:4)_feature1 C47 H81 O13 P 883.5341034 884.5414 PI(18:1_20:4)_ln_a 4.18 PI(38:4)>PI(18:0_20:4)_feature3 C47 H83 O13 P 885.5507034 886.558 PI(18:0_20:4)_ln_c 4.92 PI(38:3)>PI(18:0_20:3)_feature2 C47 H85 O13 P 887.5647834 888.5721 PI(18:0_20:3)_ln_b 5.27 PI(36:4)>PI(16:0_20:4)_feature1 C45 H79 O13 P 857.5188134 858.5261 PI(16:0_20:4) 4.13 PI(36:2)>PI(18:0_18:2)_feature2 C45 H83 O13 P 861.5492234 862.5565 PI(18:0_18:2)_ln_b 5.02 PI(34:2)>PI(16:0_18:2)_feature1 C43 H79 O13 P 833.5184534 834.5257 PI(16:0_18:2) 4.22 PG(44:12)>PG(22:6/22:6)_feature1 C50 H75 O10 P 865.5035134 866.5108 PG(22:6/22:6) 3.18 PG(42:10)>PG(20:4_22:6)_feature1 C48 H75 O10 P 841.5030134 842.5103 PG(20:4_22:6) 3.27 PG(40:8)>PG(18:2_22:6)_feature1 C46 H75 O10 P 817.5031834 818.5105 PG(40:8)_ln_a 3.34 PG(40:7)>PG(18:1_22:6)_feature1 C46 H77 O10 P 819.5186134 820.5259 PG(18:1_22:6) 3.72 PG(38:6)>PG(18:2_20:4)_feature1 C44 H75 O10 P 793.5028234 794.5101 PG(18:2_20:4) 3.44 PG(36:4)>PG(18:2_18:2)_feature1 C42 H75 O10 P 769.5028234 770.5101 PG(18:2/18:2)_ln_a 3.51 PG(36:2)>PG(18:0_18:2)_feature1 C42 H79 O10 P 773.5320834 774.5394 PG(36:2)_ln_a 5.25 PG(34:1)>PG(16:0_18:1)_feature1 C40 H77 O10 P 747.5181734 748.5255 PG(16:0_18:1) 5 PG(32:0)>PG(16:0/16:0)_feature1 C38 H75 O10 P 721.5017334 722.509 PG(16:0/16:0) 4.93 PE(P-40:4)>PE(P-20:0/20:4)_feature3 C45 H82 N O7 P 778.5763034 779.5836 PE(P-20:0/20:4)_ln_c 6.84 PE(O-40:8)>PE(O-22:8/18:0)_and_PE(O-18:2/22:6)_feature2 C45 H76 N O7 P 772.5283834 773.5357 PE(O-40:8)_ln_b 5.06 PE(O-40:7)>PE(O-18:1/22:6)_and_PE(O-22:7/18:0)_feature9 C45 H78 N O7 P 774.5448034 775.5521 PE(O-40:7)_ln_i 5.98 PE(O-40:6)>PE(O-18:2/22:4)_feature2 C45 H80 N O7 P 776.5593434 777.5666 PE(O-40:6)_ln_b 5.97 PE(O-40:5)>PE(O-18:1/22:4)_feature3 C45 H82 N O7 P 778.5763034 779.5836 PE(O-18:1/22:4)_ln_c 6.71 PE(O-40:4)>PE(O-18:0/22:4)_feature2 C45 H84 N O7 P 780.5917234 781.599 PE(O-18:0/22:4)_ln_b 6.79 PE(O-39:5)>PE(O-16:1_20:4)_feature4 C44 H80 N O7 P 764.5602334 765.5675 PE(O-20:0/20:4)_ln_d 6.63 PE(O-38:7)>PE(O-18:3/20:4)_feature1 C43 H74 N O7 P 746.5129734 747.5203 PE(O-38:7)_ln_a 4.65 PE(O-38:7)>PE(O-16:1/22:6)_and_PE(O-20:7/18:0)_feature2 C43 H74 N O7 P 746.5129834 747.5203 PE(O-38:7)_ln_b 5.02 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature2 C43 H76 N O7 P 748.5290834 749.5364 PE(O-38:6)_ln_b 5.32 PE(O-38:6)>PE(O-16:1/22:5)_feature3 C43 H76 N O7 P 748.5290834 749.5364 PE(O-16:1/22:5)_ln_c 5.63 PE(O-38:5)>PE(O-18:1/20:4)_feature6 C43 H78 N O7 P 750.5453734 751.5527 PE(O-18:1/20:4)_ln_f 6.24 PE(O-38:5)>PE(O-18:1/20:4)_feature3 C43 H78 N O7 P 750.5453634 751.5526 PE(O-18:1/20:4)_ln_c 5.46 PE(O-38:5)>PE(O-16:1/22:4)_feature5 C43 H78 N O7 P 750.5454034 751.5527 PE(O-16:1/22:4)_ln_e 5.93 PE(O-38:4)>PE(O-18:0/20:4)_and_PE(O-18:2/20:2)_feature4 C43 H80 N O7 P 752.5601434 753.5674 PE(O-38:4)_ln_d 6.41 PE(O-36:5)>PE(O-16:1/20:4)_feature3 C41 H74 N O7 P 722.5139334 723.5212 PE(O-16:1/20:4)_ln_c 5.27 PE(O-36:4)>PE(O-18:3/18:1)_feature6 C41 H80 N O7 P 728.5604534 729.5677 PE(O-18:3/18:1)_ln_f 6.82 PE(O-36:4)_feature1 C41 H76 N O7 P 724.5283834 725.5357 PE(O-36:4)_ln_a 5.45 PE(O-36:3)>PE(O-18:2/18:1)_feature3 C41 H82 N O7 P 726.5444034 727.5517 PE(O-18:2/18:1)_ln_c 6.22 PE(O-36:3)>PE(O-18:1/18:2)_feature6 C41 H78 N O7 P 726.5444734 727.5518 PE(O-18:1/18:2)_ln_f 6.4 PE(O-34:5)>PE(O-17:1/20:4)_feature2 C42 H76 N O7 P 736.5284834 737.5358 PE(O-34:5)_ln_b 5.75 PE(O-34:5)>PE(O-17:1/20:4)_feature1 C42 H76 N O7 P 736.5284934 737.5358 PE(O-34:5)_ln_a 5.57 PE(O-34:3)>PE(O-16:1/18:2)_feature1 C39 H74 N O7 P 698.5126234 699.5199 PE(O-34:3) 5.44 PE(O-34:2)>PE(O-16:2/18:0)_and_PE(O-18:2/16:0)_feature1 C39 H76 N O7 P 700.5290834 701.5364 PE(O-34:2)_ln_a 6.18 PE(O-34:1)>PE(O-18:1_16:0)_feature2 C39 H78 N O7 P 702.5442734 703.5516 PE(O-34:1)_ln_b 6.82 PE(O-34:1)>PE(O-18:1_16:0)_feature1 C39 H78 N O7 P 1406.095333 1407.1026 PE(O-34:1)_ln_a 6.32 PE(42:4)>PE(20:4_22:0)_feature1 C47 H86 N O8 P 822.6020434 823.6093 PE(20:4_22:0) 6.99 PE(40:8)>PE(18:2_22:6)_feature1 C45 H74 N O8 P 786.5077934 787.5151 PE(18:2_22:6) 4.11 PE(40:7)>PE(18:1_22:6)_and_PE(18:0_22:7)_feature3 C45 H76 N O8 P 788.5233234 789.5306 PE(40:7)_ln_c 4.68 PE(40:6)>PE(18:0_22:6)_feature2 C45 H78 N O8 P 790.5391734 791.5465 PE(18:0_22:6)_ln_b 5.53 PE(40:5)>PE(18:0_22:5)_feature4 C45 H80 N O8 P 792.5537834 793.5611 PE(18:0_22:5)_ln_d 6.13 PE(40:4)>PE(20:0_20:4)_feature3 C45 H82 N O8 P 794.5711334 795.5784 PE(40:4)_ln_c 6.64 PE(40:4)>PE(18:0_22:4)_feature2 C45 H82 N O8 P 794.5711334 795.5784 PE(18:0_22:4)_ln_b 6.4 PE(39:4)>PE(19:0_20:4)_feature2 C44 H80 N O8 P 780.5543734 781.5617 PE(19:0_20:4)_ln_b 6.05 PE(39:4)>PE(19:0_20:4)_feature3 C44 H80 N O8 P 780.5543034 781.5616 PE(19:0_20:4)_ln_c 6.26 PE(38:6)>PE(18:2_20:4)_feature2 C43 H74 N O8 P 762.5078934 763.5152 PE(18:2_20:4)_ln_b 4.27 PE(38:6)>PE(16:0_22:6)_feature3 C43 H74 N O8 P 762.5079034 763.5152 PE(16:0_22:6)_ln_c 4.62 PE(38:5)>PE(18:0_20:5)_feature6 C43 H76 N O8 P 764.5242734 765.5316 PE(38:5)_ln_f 5.18 PE(38:5)>PE(16:0_22:5)_and_PE(18:1_20:4)_feature3 C43 H76 N O8 P 764.5242534 765.5315 PE(38:5)_ln_c 4.9 PE(38:4)>PE(18:0_20:4)_feature5 C43 H78 N O8 P 766.5401634 767.5474 PE(18:0_20:4)_ln_e 5.79 PE(38:4)>PE(16:0_22:4)_feature4 C43 H78 N O8 P 766.5402234 767.5475 PE(16:0_22:4)_ln_d 5.46 PE(38:3)>PE(18:0_20:3)_feature3 C43 H80 N O8 P 768.5553934 769.5627 PE(18:0_20:3)_ln_c 6.16 PE(38:1)>PE(18:1_20:0)_and_PE(18:0_20:1)_feature2 C43 H84 N O8 P 772.5858834 773.5932 PE(38:1)_ln_b 6.95 PE(37:4)>PE(17:0_20:4)_feature2 C42 H76 N O8 P 752.5228434 753.5301 PE(17:0_20:4)_ln_b 5.29 PE(36:5)>PE(16:1_20:4)_feature2 C41 H72 N O8 P 736.4924134 737.4997 PE(16:1_20:4)_ln_b 4.13 PE(36:5)>PE(16:0_20:5)_M+H2CO2_feature3 C41 H72 N O8 P 736.4924134 737.4997 PE(16:0_20:5)_ln_c 4.33 PE(36:4)>PE(18:2/18:2)_feature1 C41 H74 N O8 P 738.5089034 739.5162 PE(18:2/18:2)_ln_a 4.4 PE(36:4)>(16:0_20:4)_feature3 C41 H74 N O8 P 738.5088734 739.5162 PE(16:0_20:4)_ln_c 4.84 PE(36:3)>PE(18:1_18:2)_feature1 C41 H76 N O8 P 740.5237034 741.531 PE(18:1_18:2)_ln_a 5.04 PE(36:2)>PE(18:1/18:1)_feature2 C41 H78 N O8 P 742.5403734 743.5477 PE(18:1/18:1)_ln_b 5.74 PE(36:2)>PE(18:0_18:2)_feature2 C41 H78 N O8 P 742.5403634 743.5476 PE(18:0_18:2)_ln_b 5.93 PE(36:1)>PE(18:0_18:1)_feature3 C41 H80 N O8 P 744.5559434 745.5632 PE(18:0_18:1)_ln_c 6.58 PE(35:2)>PE(17:0_18:2)_feature1 C40 H76 N O8 P 1458.053363 1459.0606 PE(17:0_18:2) 5.44 PE(34:3)>PE(16:1_18:2)_feature1 C39 H72 N O8 P 712.4917634 713.499 PE(34:3)_ln_a 4.25 PE(34:2)>PE(16:0_18:2)_feature2 C39 H74 N O8 P 714.5077534 715.515 PE(16:0_18:2)_ln_b 4.99 PE(34:1)>PE(16:0_18:1)_feature1 C39 H76 N O8 P 716.5238234 717.5311 PE(16:0_18:1)_ln_a 5.68 PE(34:0)>PE(16:0_18:0)_feature2 C39 H78 N O8 P 718.5394334 719.5467 PE(34:0)_ln_b 6.53 PE(32:1)>PE(16:0_16:1)_feature1 C37 H72 N O8 P 688.4915734 689.4989 PE(16:0_16:1) 4.8 PE(32:0)>PE(16:0/16:0)_feature1 C37 H74 N O8 P 690.5077734 691.5151 PE(16:0/16:0) 5.61 PC(O-38:5)>PC(O-18:1/20:4)_M+H2CO2_feature1 C47 H86 N O9 P 838.5969234 839.6042 PC(O-38:6)_ln_a 5.19 PC(O-38:5)>PC(O-18:1/20:4)_M+H2CO2_feature5 C47 H86 N O9 P 838.5966534 839.6039 PC(O-38:6)_ln_e 5.96 PC(O-40:9)>PC(O:20:5/20:4)_M+H2CO2_feature1 C49 H82 N O9 P 844.5627734 845.5701 PC(O:20:5/20:4) 5.52 PC(O-36:5)>PC(O-16:1/20:4)_M+H2CO2_feature5 C45 H82 N O9 P 810.5645034 811.5718 PC(O-36:5)_ln_e 5 PC(O-36:4)>PC(O-16:0/20:4)_M+H2CO2_feature4 C45 H84 N O9 P 812.5815334 813.5888 PC(O-16:0/20:4)_ln_d 5.17 PC(O-34:1)>PC(O-18:1/16:0)_M+H2CO2_feature2 C43 H86 N O9 P 790.5970834 791.6044 PC(O-18:1/16:0)_ln_b 6.01 PC(O-32:1)>PC(O-16:1/16:0)_M+H2CO2_feature2 C41 H82 N O9 P 762.5654634 763.5727 PC(O-32:1)_ln_b 5.85 PC(42:10)>PC(20:4_22:6)_M+H2CO2_feature1 C51 H82 N O10 P 898.5607634 899.568 PC(20:4_22:6) 3.79 PC(40:8)>PC(20:4_20:4) _M+H2CO2_feature1 C49 H82 N O10 P 874.5611334 875.5684 PC(40:8) 3.95 PC(40:7)>PC(18:1_22:6)_M+H2CO2_feature3 C49 H84 N O10 P 876.5751234 877.5824 PC(18:1_22:6)_ln_c 4.47 PC(40:6)>PC(18:0_22:6) _M+H2CO2_feature3 C49 H86 N O10 P 878.5914834 879.5988 PC(18:0_22:6)_ln_c 5.28 PC(40:5)>PC(18:0_22:5)_M+H2CO2_feature3 C49 H88 N O10 P 880.6064734 881.6138 PC(18:0_22:5)_ln_c 5.52 PC(40:4)>PC(20:0_20:4)_M+H2CO2_feature3 C49 H90 N O10 P 882.6232534 883.6305 PC(40:4)_ln_c 6.48 PC(38:6)>PC(18:2_20:4)_M+H2CO2_feature1 C47 H82 N O10 P 850.5614334 851.5687 PC(18:2_20:4)_ln_a 4.09 PC(38:6)>PC(16:0_22:6)_and_PC(18:0_20:6)_M+H2CO2_feature2 C47 H82 N O10 P 850.5614434 851.5687 PC(38:6)_ln_b 4.41 PC(38:5)>PC(16:0_22:5)_and_PC(18:1_20:4)_M+H2CO2_feature4 C47 H84 N O10 P 852.5762534 853.5835 PC(38:5)_ln_d 4.67 PC(38:5)>PC(16:0_22:5)_M+H2CO2_feature5 C47 H84 N O10 P 852.5762934 853.5836 PC(16:0_22:5)_ln_e 4.94 PC(38:4)>PC(18:0_20:4)_M+H2CO2_feature4 C47 H86 N O10 P 854.5932134 855.6005 PC(18:0_20:4)_ln_d 5.52 PC(38:4)>PC(16:0_22:4)_M+H2CO2_feature3 C47 H86 N O10 P 854.5932134 855.6005 PC(16:0_22:4)_ln_c 5.21 PC(38:3)>PC(18:0_20:3)_M+H2CO2_feature3 C47 H88 N O10 P 856.6074934 857.6148 PC(18:0_20:3)_ln_c 5.91 PC(38:2)>PC(18:1_20:1)_M+H2CO2_feature3 C47 H90 N O10 P 858.6227634 859.63 PC(18:1_20:1)_ln_c 6.35 PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature3 C46 H84 N O10 P 840.5754634 841.5827 PC(17:0_20:4)_ln_c 5.06 PC(36:5)>PC(16:1_20:4)_M+H2CO2_feature2 C45 H80 N O10 P 824.5449134 825.5522 PC(16:1_20:4)_ln_b 3.96 PC(36:5)>PC(16:0_20:5)_M+H2CO2_feature3 C45 H80 N O10 P 824.5449234 825.5522 PC(16:0_20:5)_ln_c 4.14 PC(36:4)>PC(18:2/18:2)_M+H2CO2_feature2 C45 H82 N O10 P 826.5615634 827.5688 PC(18:2/18:2)_ln_b 4.21 PC(36:4)>PC(16:0_20:4)_M+H2CO2_feature3 C45 H82 N O10 P 1608.119423 1609.1267 PC(16:0_20:4)_ln_c 4.61 PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature2 C45 H84 N O10 P 828.5762334 829.5835 PC(18:1_18:2)_ln_b 4.8 PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature3 C45 H84 N O10 P 828.5760534 829.5833 PC(18:1_18:2)_ln_c 4.96 PC(36:2)>PC(18:1/18:1)_M+H2CO2_feature2 C45 H86 N O10 P 830.5932334 831.6005 PC(18:1/18:1)_ln_b 5.48 PC(36:2)>PC(18:0_18:2)_M+H2CO2_feature3 C45 H86 N O10 P 830.5933434 831.6006 PC(18:0_18:2)_ln_c 5.67 PC(36:1)>PC(16:0_20:1)_and_PC(18:0_18:1)_M+H2CO2_feature1 C45 H88 N O10 P 832.6086734 833.616 PC(36:1)_ln_a 6.38 PC(36:0)>PC(18:0/18:0)_M+H2CO2_feature3 C45 H90 N O10 P 834.6231634 835.6304 PC(18:0/18:0)_ln_c 6.87 PC(35:4)>PC(15:0_20:4)_M+H2CO2_feature2 C44 H80 N O10 P 812.5447434 813.552 PC(15:0_20:4)_ln_b 4.23 PC(35:2)>PC(17:0_18:2)_M+H2CO2_feature2 C44 H84 N O10 P 816.5762334 817.5835 PC(17:0_18:2)_ln_b 5.2 PC(35:1)>PC(17:0_18:1) M+ H2CO2_feature1 C44 H86 N O10 P 818.5915834 819.5989 PC(17:0_18:1)_ln_a 5.9 PC(34:4)>PC(14:0_20:4)_M+H2CO2_feature2 C43 H78 N O10 P 798.5291534 799.5364 PC(14:0_20:4)_ln_b 3.89 PC(34:3)>PC(16:1_18:2)_M+H2CO2_feature1 C43 H80 N O10 P 800.5446734 801.552 PC(16:1_18:2)_ln_a 4.07 PC(34:2)>PC(16:0_18:2)_M+H2CO2_feature1 C43 H82 N O10 P 802.5616334 803.5689 PC(16:0_18:2)_ln_a 4.74 PC(34:1)>PC(16:0_18:1)_M+H2CO2_feature2 C43 H84 N O10 P 804.5772734 805.5846 PC(16:0_18:1)_ln_b 5.42 PC(34:0)>PC(16:0_18:0) M+ H2CO2 C43 H86 N O10 P 806.5923234 807.5996 PC(16:0/18:0)_ln_c 6.31 PC(32:2)>PC(14:0_18:2)_M+H2CO2_feature1 C41 H78 N O10 P 774.5291234 775.5364 PC(14:0_18:2)_ln_a 3.99 PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1)_M+H2CO2_feature2 C41 H80 N O10 P 776.5446434 777.5519 PC(32:1)_ln_b 4.57 PC(32:0)>PC(16:0_16:0)_M+H2CO2_feature2 C41 H82 N O10 P 778.5610634 779.5683 PC(32:0)_ln_b 5.34 PC(30:0)>PC(14:0_16:0)_M+H2CO2_feature1 C39 H78 N O10 P 750.5280434 751.5353 PC(30:0)_ln_a 4.49 LPE(O-15:0)_feature1 C20 H44 N O6 P 424.2846634 425.2919 LPE(O-15:0) 2.29 LPE(20:4) C25 H44 N O7 P 500.2776634 501.2849 LPE(20:4) 1.91 LPE(20:0)>LPE(20:0/0:0)_feature2 C25 H52 N O7 P 508.3398334 509.3471 LPE(20:0/0:0)_ln_b 2.51 LPE(18:0/0:0)_feature2 C23 H48 N O7 P 480.3088634 481.3161 LPE(18:0/0:0)_ln_b 2.55 LPE(16:0) C21 H44 N O7 P 452.2776934 453.285 LPE(16:0) 2.23 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_M+H2CO2_feature1and2 C29 H52 N O9 P 588.3303134 589.3376 LPC(20:4)_ln_ab 1.87 LPC(18:1)>LPC(18:1/0:0)_feature2 C27 H54 N O9 P 566.3459334 567.3532 LPC(18:1/0:0)_ln_b 2.25 LPC(18:0)>LPC(0:0/18:0)_M+H2CO2_feature1 C27 H56 N O9 P 568.3620634 569.3693 LPC(0:0/18:0)_ln_a 2.46 LPC(18:0)>LPC(18:0/0:0)_M+H2CO2_feature2 C27 H56 N O9 P 568.3619534 569.3692 LPC(18:0/0:0)_ln_b 2.51 LPC(16:0)>LPC(16:0/0:0)_and_LPC(0:0/16:0)_2M+H2CO2_feature1and2 C49 H102 N2 O16 P2 540.3305434 541.3378 LPC(16:0)_ln_ab 2.19 HexCer(d42:2)_M+H2CO2_feature3 C49 H93 N O10 854.6729334 855.6802 HexCer(d42:2)_ln_c 6.93 HexCer(d42:0-OH)_M+H2CO2_feature1 C49 H97 N O11 874.6993834 875.7067 HexCer(d42:0-OH)_M+H2CO2 7.11 HexCer(d40:1)_M+H2CO2_feature2 C47 H91 N O10 828.6571834 829.6645 HexCer(d40:1)_ln_b 6.96 FA(22:6)_feature1 C22 H32 O2 327.2323134 328.2396 Docosahexaenoic acid 2.48 FA(20:4)_feature1 C20 H32 O2 303.2323434 304.2396 Eicosatetraenoic acid 2.56 CL(74:9)_feature1 C83 H144 O17 P2 1473.978143 1474.9854 CL(74:9) 8.08 CL(74:11)_feature2 C83 H140 O17 P2 1469.946223 1470.9535 CL(74:11) 7.68 CL(74:10)_feature1 C83 H142 O17 P2 1471.961883 1472.9692 CL(74:10) 7.87 CL(72:8)_feature1 C81 H142 O17 P2 1447.965733 1448.973 CL(72:8) 7.67 CL(72:7)_feature1 C81 H144 O17 P2 1449.980973 1450.9883 CL(72:7) 7.87 CL(72:6)_ feature1 C81 H146 O17 P2 1451.995803 1453.0031 CL(72:6) 8.08 CL(70:7)_feature1 C79 H140 O17 P2 1421.948613 1422.9559 CL(70:7) 7.64 cholesterol sulfate_feature1 C27 H46 O4 S 465.3038734 466.3112 Cholesterol sulfate 2.91 Cer(d44:1)_M+H2CO2_feature1 C45 H89 N O5 722.6670534 723.6743 Cer(d44:1) 7.93 Cer(d42:2)_feature3 C42 H81 N O3 646.6147934 647.6221 Cer(d42:2)_ln_c 7.2 Cer(d42:2)_feature4 C42 H81 N O3 646.6149334 647.6222 Cer(d42:2)_ln_d 7.31 Cer(d42:1)_M+H2CO2_feature1 C42 H83 N O3 648.6307234 649.638 Cer(d42:1)_ln_a 7.58 Cer(d42:0-OH)_M+H2CO2_feature1 C43 H87 N O6 712.6464134 713.6537 Cer(d42:0(OH)) 7.4 Cer(d41:1)_M+H2CO2_feature1 C42 H83 N O5 680.6199534 681.6272 Cer(d41:1) 7.4 Cer(d40:2)_M+H2CO2_feature1 C41 H79 N O5 664.5883834 665.5957 Cer(d40:2)_ln_a 7 Cer(d40:1)_M+H2CO2_feature1 C41 H81 N O5 666.6042134 667.6115 Cer(d40:1)_ln_a 7.24 Cer(d36:1)_M+H2CO2_feature1 C37 H73 N O5 610.5411034 611.5484 Cer(d36:1) 6.44 Cer(d34:1)_M+H2CO2_feature1 C35 H69 N O5 582.5096734 583.517 Cer(d34:1) 5.46 new_SM(d44:2)_M+H2CO2 - 885.7065534 886.7138 - 7.14 new_SM(d40:1) M + HCl - 821.6386834 822.646 - 5.87 new_SM(d40:0-OH)_M+H2CO2 - 849.6622734 850.6696 - 7.19 new_PS(36:4)>PS(16:0_20:4) - 782.4947434 783.502 - 4.98 new_CL(74:9)_feature1 - 1473.980123 1474.9874 - 7.8 new_CL(74:9)_feature2 - 1473.970613 1474.9779 - 7.63 new_CL(74:10) - 1471.963323 1472.9706 - 7.63 METABOLITES_END #END