#METABOLOMICS WORKBENCH efahy_20230425_000058 DATATRACK_ID:3955 STUDY_ID:ST002636 ANALYSIS_ID:AN004308 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 Hippocampus 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 - 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Timepoint:4 weeks of training | Sex:Male raw_file=90280015207.raw SUBJECT_SAMPLE_FACTORS 0559B193-BED3-4170-B045-10A2B6441CB6 90229015207 Group:Control | Timepoint:8 weeks of training or control time | Sex:Male raw_file=90229015207.raw SUBJECT_SAMPLE_FACTORS 0409BED3-F9FE-4C06-9920-74F5E5CA04A3 90587015207 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=90587015207.raw SUBJECT_SAMPLE_FACTORS B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E 90576015207 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=90576015207.raw SUBJECT_SAMPLE_FACTORS EA5C8932-9325-4DA5-96BB-50CD49CEDD10 90560015207 Group:Training | Timepoint:1 week of training or control time | Sex:Female raw_file=90560015207.raw SUBJECT_SAMPLE_FACTORS 569A9229-04E8-414A-A195-FE9E8F1B66AB 90289015207 Group:Training | Timepoint:4 weeks of training | Sex:Male raw_file=90289015207.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_Hippocampus02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=SED_Reference_Hippocampus02.raw SUBJECT_SAMPLE_FACTORS - IPE_Reference_Hippocampus02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=IPE_Reference_Hippocampus02.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-Blank | Timepoint:0 hour | Sex:- raw_file=QC09.raw #COLLECTION CO:SAMPLE_TYPE Hippocampus #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 ST002636_AN004308_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 90217015207 90218015207 90222015207 90223015207 90225015207 90227015207 90229015207 90232015207 90237015207 90239015207 90245015207 90248015207 90251015207 90252015207 90254015207 90258015207 90259015207 90265015207 90266015207 90267015207 90280015207 90281015207 90283015207 90289015207 90292015207 90410015207 90412015207 90416015207 90420015207 90421015207 90422015207 90423015207 90426015207 90430015207 90439015207 90441015207 90444015207 90449015207 90450015207 90559015207 90560015207 90564015207 90567015207 90571015207 90576015207 90578015207 90581015207 90585015207 90587015207 IPE_Reference_Hippocampus IPE_Reference_Hippocampus02 SED_Reference_Hippocampus SED_Reference_Hippocampus02 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))_M+H2CO2_feature1 114649.6464 119092.9031 116583.8887 109824.2164 114289.7779 114747.8954 111945.2769 114488.669 108593.1916 113599.2657 117148.6947 106561.1864 115683.7815 108783.6781 112289.4152 117697.9817 115341.1316 117234.3891 112927.541 111964.784 116910.6715 105238.7069 107987.7619 117080.5865 105794.391 108285.4981 111646.3855 110840.6463 119394.2416 109174.8085 110433.2522 108984.5513 107170.264 116576.537 118914.3707 109958.3034 117137.7397 117067.9808 114876.4677 109933.3335 118354.4967 114684.5551 108515.1473 114720.7361 112507.6144 107073.0113 110285.1655 113015.7476 116333.7659 104064.8274 111079.0445 113817.6993 118986.4385 107880.2516 107798.8984 107458.1942 107770.3612 111556.5971 112304.1675 115431.8686 117726.3104 121774.4264 167.6013608 164.7521489 165.0754873 162.5975687 152.9125828 155.3619601 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_feature1 218168.1233 239411.4835 217681.7853 217223.6697 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203.6279785 PE(32:0)>PE(16:0/16:0)_feature1 62770.36595 74442.50391 46745.57172 71361.71337 66534.17232 61776.9221 81581.87571 43892.66154 85197.023 58008.84408 72529.34187 89115.10482 62727.7277 91224.95071 59596.4226 58679.40361 75039.6821 63623.07243 70494.89647 63645.18177 90604.60208 64256.11831 90753.42082 80563.80333 56931.49796 71648.66682 56692.07938 98268.54334 77136.61931 60976.09401 79877.54844 66896.82788 61605.73064 65199.61818 56710.77171 63489.11599 70967.35603 78295.46093 63974.735 69482.1484 75189.81204 66092.10718 81238.47783 83746.85344 73963.75456 63130.67019 84505.84963 70274.66252 80267.73475 83573.58025 85198.2509 97882.14523 91311.32939 71243.77622 68976.13902 73482.59077 70486.16415 72383.40334 71024.52649 73986.10844 72377.80207 75123.86068 213.4266017 216.745036 226.5096063 213.9136599 210.5698438 204.3968756 PC(O-36:5)>PC(O-16:1/20:4)_M+H2CO2_feature5 78512.57598 74457.39566 90716.0569 103949.3073 80156.36479 83060.26612 118980.3549 82318.59333 101065.4526 94938.68639 63263.57464 77291.04901 76753.46344 74155.34102 67810.71411 75918.73162 104315.862 74173.86775 83342.38232 93770.10852 122668.4105 105795.1289 73504.993 118130.8456 91394.52532 97837.97792 98741.75352 120934.3908 101102.1634 57694.33974 124531.4119 61414.15086 94328.82055 74430.83224 77213.95883 102632.1577 76960.91529 142925.0558 99149.15049 84654.81333 101212.5347 78850.0987 69275.28537 119036.6122 84402.90108 110764.481 86874.91825 93423.36791 109209.4288 106761.2323 106642.2184 90061.07734 92870.43763 77838.08732 88570.7324 89395.59359 91523.29747 98993.93022 96220.00928 93821.98263 95533.46925 94363.9038 178.3490185 185.9274063 183.8110788 169.7375037 175.6275059 171.6122079 PC(O-36:1)>PC(O-18:1/18:0)_and_PC(O-16:0/20:1)_M+H2CO2_feature3 154858.5128 173278.0996 190162.3584 158413.5341 144798.063 253507.3735 292697.4267 344349.747 200646.9683 177327.9232 154330.6954 148391.9145 196148.2427 187546.4053 169541.2769 178788.3876 178612.1143 198139.4279 264460.9693 281725.1367 184336.9384 261564.3094 121734.8829 193789.7106 199287.0465 222323.7281 174942.8503 228746.0068 156441.2539 275424.9034 201475.7929 202868.3043 325244.1466 183276.9362 161888.5183 264569.3718 178513.6614 197896.9875 213823.2385 272542.1024 145534.3185 190518.493 142981.5394 157551.6918 255917.7576 270847.2412 229187.1482 168489.5221 177634.4731 335506.7657 337891.6536 313787.1008 306211.867 198634.1239 194152.53 197188.8276 205836.5831 212392.6081 214133.8355 220257.9222 213891.5342 217459.5607 299.6842463 457.9875471 327.8630282 289.1436385 1215.326756 2153.399709 PC(O-36:2)_M+H2CO2_feature3 131082.5187 141824.4403 149653.6015 130756.241 131547.4068 131581.6642 256667.3744 254329.1986 179665.5751 152610.3015 138341.0022 150598.01 186990.9214 173039.8814 153799.8515 172323.7628 172916.0582 176912.9548 224408.6946 258226.1178 167363.0656 194023.0263 108934.5862 110494.3594 168500.6227 189059.7701 154561.3309 186370.7752 142125.158 222984.6656 156413.9747 147983.7598 241082.7614 130079.3009 112096.048 213649.3434 151966.5238 166059.8272 172113.4185 207789.844 117553.6251 162577.7431 122592.5996 156088.1929 197180.4446 200658.2213 190203.6868 146656.4246 143011.6866 286288.4626 281194.2607 269339.9451 272622.6574 164342.3093 162004.9237 162627.3269 170736.1154 172208.5581 180432.0862 182668.8499 177679.6102 176283.3308 237.9226102 2086.091255 1106.759243 273.1318811 1967.587396 1436.885258 PC(O-36:2))_M+H2CO2_feature2 101908.9658 107126.2124 123846.7912 97812.33006 102281.0922 157595.0416 194028.8489 226935.1158 134636.1142 115605.3333 108387.6184 112475.3744 133277.9226 124256.9392 107579.175 130767.4927 120796.1701 137985.7758 174754.6926 193723.2738 118106.4268 156532.5638 73682.79051 117030.7664 131637.7627 143490.8047 110925.4169 140323.1621 105803.326 180956.1382 123323.0439 134580.7364 219716.0905 124747.1254 97470.22129 181375.1582 118860.2124 128046.5263 136915.0681 162696.3175 85481.79132 116905.2751 96786.52984 110119.6819 165572.3377 177333.4691 160382.4472 111508.2224 107860.2401 201351.7584 211152.393 193276.3873 197077.3468 124043.686 126147.8823 129708.801 133387.1318 129293.0827 135255.0164 142390.1703 141779.3765 143449.4702 297.1926011 282.1768459 292.6930754 277.1373728 268.5562854 290.1163676 PC(O-34:1)>PC(O-18:1/16:0)_M+H2CO2_feature2 779309.3792 913183.6368 1002060.814 868289.4641 748883.6106 1252830.872 1276028.083 1458862.161 1022701.281 887834.7797 877638.2313 806245.6879 1095623.24 962639.2736 819794.837 975923.5855 913059.192 1020651.683 1150158.136 1321335.44 1013627.971 1266134.383 697092.5479 982831.5468 1060741.935 1113386.703 811269.5663 1075318.754 869211.8636 1347006.762 1030576.505 852895.6169 1603170.248 878002.4243 819946.2533 1369185.012 824589.8046 966903.7945 1011518.036 1167136.419 795407.6066 973036.5993 746191.196 776940.8948 1065700.771 1323775.104 1067904.857 844457.2302 932776.9987 1454378.418 1431026.863 1361573.671 1372405.98 926087.8752 947066.8889 1025985.849 988781.6732 1010725.379 974358.0718 990875.1382 1047888.58 1109455.314 335.7436431 318.7800837 330.6604508 313.0869034 303.3926999 327.7494991 PC(O-34:1)>PC(O-18:1/16:0)_M+H2CO2_feature4 58070.51098 68454.00107 58527.75256 59687.18699 52303.03262 68624.32423 81191.14171 71251.17454 80356.48536 59420.74679 77540.11458 73943.78471 62792.6609 78141.91142 66156.56385 60091.89588 70378.34656 60715.35844 90464.81457 65734.40395 83998.3583 76758.11024 58994.89991 82007.60584 69491.88193 79547.66149 63166.58767 91468.83109 60844.15537 73276.4781 86379.26223 63531.6224 74868.69712 62702.30351 48115.05062 73990.04021 74436.37199 74773.99744 65385.80121 79530.27889 69574.24724 62951.50787 45154.0553 88542.45204 88127.35746 71100.30706 87958.41998 52578.17389 58554.09046 87358.37662 92240.40392 87401.10587 84899.94612 67245.35921 67969.70802 68649.89722 72009.22307 73291.02497 73077.74907 77928.12605 76292.1909 79625.59185 225.8293118 815.4959153 387.2025663 245.0388028 340.2943197 580.2651178 PC(O-32:1)>PC(O-16:1/16:0)_M+H2CO2_feature2 145346.2696 153339.0497 156184.0984 159086.285 122510.5437 94126.49125 174397.7636 105947.4868 179819.1032 149610.8997 167221.7637 166984.46 107304.4187 171355.2939 152050.7794 138769.1587 164162.0397 143573.5231 111816.2566 112265.8217 209740.552 165481.8611 155021.6712 132994.7054 139535.9799 164286.6848 145687.3699 207132.1582 133139.022 120494.139 189490.4381 164079.6373 105529.6487 148031.711 73373.68801 168945.1526 169579.6692 166766.3285 141186.1469 117037.7362 178963.8101 103565.5049 170503.4194 208970.5878 193472.2897 109119.5205 201285.7289 185001.3203 194081.9725 175364.6588 119858.2795 160579.4435 116918.5354 171655.8088 165242.6993 117949.1108 163932.0012 167851.8153 166573.7082 168917.6901 183663.3183 162637.5222 295.9046275 383.6262233 390.4993502 282.9403415 399.9940264 383.2307834 PC(44:2)>PC(18:1_26:1)_M+H2CO2_feature1 24621.43315 24629.40508 27837.23896 22745.8136 23087.92163 30416.40897 43138.67354 47121.14595 31483.52504 27835.24598 23299.86253 26886.47434 34649.90462 29950.44765 27517.6483 31979.95329 29663.7862 29649.59843 40854.97723 45428.95809 32174.66748 39232.20192 19508.55575 26548.71998 27598.5724 35315.50664 29215.50271 36010.54511 25008.81618 39727.01661 28090.89365 26091.15501 48626.00119 24440.66517 18205.4903 37530.75171 28464.66294 29343.41455 32343.36522 37155.8949 20312.3971 26827.87761 24816.38783 29364.14951 39436.76272 33711.11716 33341.97001 22976.70928 23720.06469 45239.62994 47998.0914 48277.69134 40706.10493 28788.49576 31769.3379 30690.86865 34837.14052 34735.26888 38984.52532 39512.58496 42986.59067 39477.90628 271.5025683 303.1947097 282.1400866 259.9216873 254.8189072 295.9352754 PC(43:1)>PC(18:1_25:0)_M+H2CO2_feature1 32708.94517 33300.00674 31508.42876 31881.72821 30178.45909 41823.32854 62740.81787 61821.35561 42970.04873 38610.49525 29092.72756 37747.63552 42886.69261 40895.03464 37085.40726 40578.03028 40311.91456 41502.58451 55670.49139 62059.27712 37690.53641 44328.95882 27671.33967 35156.04972 37737.62385 42691.39023 36832.45275 41752.93817 30358.68194 53454.11407 36498.58159 34314.50139 58791.61444 27634.57137 22567.86805 44570.74787 35590.06663 38113.36467 39726.30086 47878.60312 27929.46805 35685.33164 30202.19805 38036.34416 47139.75517 42124.41996 39202.85174 29356.83267 30491.09342 70434.61728 67897.62052 65373.13118 58976.8595 40166.05488 40787.5573 43963.01176 44326.31471 46191.25371 51199.86898 54564.2543 58492.11928 52339.88626 291.4828762 296.3624154 312.7096189 291.3943932 574.6985436 314.0097037 PC(42:4)>PC(18:0_22:4)_M+H2CO2_feature2 32937.28486 42427.85438 37855.50415 40669.23713 35137.7564 39291.02026 47624.60026 39579.0826 44294.41549 33136.98225 37984.53106 38766.00256 39542.37524 41220.24455 40048.27112 34274.69734 43686.76866 33300.97387 43709.28114 45354.23186 46262.365 42652.33115 33054.57993 42525.76064 38167.06066 42749.47862 37283.42463 53710.80872 31494.61172 40800.5529 39239.26667 35556.15109 42983.06734 33603.43775 28120.24932 45342.89299 38190.23913 44196.6224 42246.28857 45565.43684 35815.73472 34235.30754 37939.07091 45980.80867 45904.41383 39489.27513 52884.42605 38106.74621 41046.87367 45947.01775 46448.8372 45701.04733 43139.55141 36824.31869 38423.18507 39079.24694 38446.2558 39067.48389 41002.78509 40752.75906 41068.05142 41109.37821 222.3063555 350.8169957 239.7418644 247.3467029 356.7054104 394.6808686 PC(42:10)>PC(20:4_22:6) _M+H2CO2_feature1 55724.49384 57920.87415 57628.90084 62506.54936 50522.48382 57673.1991 81859.55323 60103.84072 72736.10931 58559.01301 61767.50926 69861.4808 56607.43201 71669.23439 59041.2176 60367.42619 77255.29944 57174.71017 84163.11612 66383.48249 78701.37935 73518.40308 59360.32958 75003.24853 62951.05957 70616.49198 70109.44588 92021.57283 57165.73488 68990.73263 78946.02157 62564.78828 65125.72371 55322.48997 40983.58463 71033.9908 66692.60263 75897.74508 69152.39505 67562.42576 59781.77946 57356.87339 62699.53556 94024.72658 94262.89325 66158.13646 77804.0846 67336.38387 77305.59708 79397.95287 88533.35656 71316.79125 79098.29445 66084.92001 64445.17542 65190.40117 64118.46166 64807.38344 68820.38891 69711.70382 69258.31896 71134.06422 155.0015393 153.0393394 154.1743231 148.3700099 144.1258205 150.9181727 PC(42:1)>PC(18:1/24:0)_M+H2CO2_feature2 334268.0145 345812.8414 333619.211 314174.9546 311893.2499 426018.8785 612053.1923 609463.7001 423097.908 394020.492 317412.0656 373166.0451 478796.8387 430211.7997 382203.6492 435718.5495 403796.8682 420746.7518 574754.4066 632412.3866 398388.3765 466440.4263 276065.8233 387365.6442 377090.6643 440096.7068 394815.0233 441700.0073 331642.311 551934.9434 397570.6435 360586.2496 622772.3971 335996.2953 246719.7672 472335.1884 373449.1812 402339.862 447407.2507 493663.1419 282086.1691 381967.5462 314496.8537 381493.8172 499858.9898 459664.269 414936.3308 314534.9859 328118.4033 749810.891 758013.0958 710004.1813 677514.1224 407168.4904 424495.2649 419740.6194 443465.7718 453571.0806 494419.4527 517152.0256 522295.0136 534402.3616 259.8167286 290.2574343 279.2212845 271.5183511 269.0730814 319.2860558 PC(41:2)>PC(18:1_23:1)_M+H2CO2_feature2 70787.85697 73079.44873 78782.28407 69046.86333 70499.12171 46372.44272 110560.0067 126415.6707 90481.4578 79460.24867 37042.8041 77485.16214 98320.61387 80681.25596 38045.55902 81998.78669 85302.59939 84801.6056 119364.288 113747.9206 85637.99789 98550.60031 68317.47054 39109.22183 77148.92007 91891.40652 76826.03247 88683.94171 70025.32596 110454.2329 59784.94306 78887.98895 111161.6979 68063.83712 57765.08405 90405.51612 74707.85355 76243.92319 75187.7396 103777.294 56908.79307 81325.90277 64630.72764 60557.25929 87545.75116 93496.18611 84503.50319 63053.72098 71459.7725 149524.4417 155557.5285 133138.4101 149016.6678 80650.57866 78721.73079 79075.09332 83760.18691 79006.80454 73581.8142 83090.89231 88624.4655 78819.04109 164.5144095 273.444932 194.5206406 192.5394911 206.4287141 213.5946519 PC(41:1)>PC(18:1_23:0)_M+H2CO2_feature1 189046.5255 193852.0535 181515.1266 179300.1664 175219.7516 248486.7543 326733.4007 338832.3126 254377.9564 221983.8591 183772.8114 214474.5798 248804.1631 242353.1849 212421.0555 229922.2749 230139.76 257105.6279 315534.2929 329655.3329 215242.1247 252444.8082 155965.2099 210253.3391 204735.3268 225244.4806 208013.4144 242828.9988 186083.3573 278089.9348 206246.8194 202047.7699 316233.2056 163057.8158 137507.3072 240438.6671 204638.7707 211622.0973 222605.7173 260928.7353 157703.5376 208964.6374 169647.9114 205492.5306 246980.3093 236302.2991 234335.4653 169464.0804 183952.0269 405040.2516 439420.7293 411661.6996 377330.8265 217314.2787 217019.4127 220172.0065 228196.5253 238998.0339 247406.3706 254884.0876 263268.1282 255428.258 234.2049946 266.5192729 248.1527716 240.2951691 517.8573982 260.4188095 PC(40:6)>PC(18:0_22:6) _M+H2CO2_feature3 1142590.095 1207413.807 994631.2628 1205500.314 1058062.235 1096532.232 1550155.053 1183589.384 1434365.237 1140058.369 1199321.608 1468262.503 1120082.164 1464200.805 1255910.861 1139169.498 1456949.244 1153693.176 1497988.245 1274460.082 1396478.888 1367155.127 1182916.132 1361338.432 1285318.228 1292439.208 1244498.418 1605903.085 1158966.263 1293239.419 1338573.076 1120485.145 1275900.978 1056686.089 984830.67 1343952.496 1345860.332 1472912.275 1388857.11 1408076.247 1220885.092 1139685.274 1231190.532 1455748.647 1544585.806 1294299.107 1439809.857 1195868.808 1216038.799 1422483.377 1461592.023 1506057.8 1436718.685 1226599.554 1265404.744 1244543.473 1248269.433 1263284.768 1253542.976 1277535.09 1278779.454 1304543.417 191.1296652 195.2836867 191.6847555 185.6548403 187.3304837 188.8595659 PC(40:5)>PC(18:0_22:5) _M+H2CO2_feature4 50362.53679 61074.50116 67905.45107 63345.34325 54393.6543 62292.82856 72236.91746 58141.7353 63339.27145 54769.05183 45464.06256 51462.13456 51746.34449 45319.26935 50292.29549 50731.19538 54267.30316 41896.48538 51709.8365 61468.83147 64251.74824 63139.4706 42803.9604 57285.62986 48776.29624 49670.58219 50689.26423 59885.92235 39317.6506 60162.30584 57750.52215 49973.82059 51273.61406 41757.34041 30847.23039 55771.42017 46222.2663 59150.26147 53503.85859 56613.86786 43363.91559 47363.71695 51574.1561 72666.44701 62699.41099 53524.98998 63536.65016 53081.84389 56106.04125 77527.97519 77439.93891 68381.68813 66020.05644 52418.57505 50977.19515 52871.93404 55371.12346 56369.77283 58011.94519 52902.69757 56100.29944 59120.35215 244.5168938 305.5480815 311.0223442 222.1338175 318.5846012 305.2331241 PC(40:4)>PC(18:0_22:4)_M+H2CO2_feature2 329627.8185 394254.8245 329928.4186 376834.113 313482.9102 349326.252 475476.6212 385776.2701 456390.8631 348067.8138 352379.8253 419201.7529 335228.9304 411872.918 359149.1941 331245.5792 392814.8265 321195.322 418411.9475 395182.4378 444975.9556 406771.3424 327460.1489 437258.3262 388404.0015 394785.6979 351199.422 504498.2387 324027.9294 410562.2091 409637.1795 343875.2443 389631.1445 332660.3791 273250.2986 439616.1809 371831.6123 450006.4084 421342.0313 431017.1139 362188.8596 316079.8116 375152.5547 457122.9871 436047.5769 384238.16 462444.9002 365960.3957 379516.0561 453298.6257 469193.2516 427179.5026 399983.3432 369903.4762 384981.4769 369323.217 376550.6141 391392.9877 393917.1392 384793.4783 403771.8893 394813.1572 240.0869097 250.1999467 238.3197584 239.5655859 234.0307951 237.527304 PC(38:6)>PC(18:2_20:4)_M+H2CO2_feature1 34378.16893 43405.6098 39535.12037 44011.23925 37628.26021 35367.80676 56769.3698 39376.52254 43459.78399 39125.79489 41553.22062 47127.32903 36750.31669 47453.31829 40225.00061 39990.14686 52331.62435 34769.02517 51380.18055 41927.61579 60101.03358 53991.55001 41038.30759 53230.54846 41340.89924 45183.74641 48559.28782 62430.57206 42432.5278 50228.13853 56217.39148 39482.41685 43192.57712 36737.88111 30715.51192 50057.75867 43247.65326 57530.56644 47101.44689 48191.1402 51646.33644 39591.62493 38384.3356 65177.79957 59897.72699 42412.06259 53797.06131 40604.93052 47893.60885 50028.58123 57345.73619 42898.71168 46044.27854 40938.15578 42529.84137 44451.21247 43943.00305 44598.46084 44671.14533 47810.54786 47055.72699 47528.1918 175.1258138 180.4743293 168.9588174 166.2891331 159.8210152 157.8123191 PC(38:6)>PC(16:0_22:6)_and_PC(18:0_20:6)_M+H2CO2_feature2 3364620.258 3362758.586 3167726.327 3258109.826 2905492.05 3149711.098 4433187.773 3653192.511 4283871.712 3395189.397 3476230.229 3996424.801 3294540.998 3921126.33 3337771.304 3534805.705 3817660.859 3325374.185 4154224.313 3619595.412 4112420.133 4058892.479 3474268.653 3885797.313 3471266.767 4070305.672 3783273.258 4825090.532 3284658.023 3991224.697 4167863.497 3379549.348 3549693.358 3236884.514 2511698.963 3957102.359 3932788.566 3967990 3513893.893 3799136.443 3648550.413 3335165.355 3626353.717 4904511.23 4563254.105 3873112.359 3893953.447 3828672.594 3767049.998 4230359.022 4225222.922 4123267.945 4099769.245 3673565.669 3614693.725 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423198.8975 336179.0868 395275.5041 295345.6218 317745.6895 356941.9717 355568.0247 370735.5376 328667.8731 329979.147 352379.9026 319174.0992 402566.1675 374003.5689 417976.8649 380063.1519 325098.5035 400236.506 301289.7272 385982.0905 354925.4865 477687.2962 319555.3155 371598.0999 373138.2882 313353.6264 375418.1438 299158.9612 237032.0226 364507.7117 353878.6677 355545.9074 316047.8049 380842.0095 343249.5787 317617.4015 336748.0862 456268.2879 423401.0478 351935.7453 407130.6919 344715.0363 372773.1054 466824.6605 475078.3025 406890.4705 387744.1928 343039.0386 340444.7844 346296.4538 346673.9465 356530.8959 351440.9146 361934.0683 375100.8165 356984.5157 206.3147548 213.4107226 197.961607 197.9744892 187.7819684 196.3758709 PA(38:4)>PA(18:0_22:4)_feature1 136675.6598 167733.8936 155661.2048 147160.4726 98215.6415 173439.0962 205908.998 232069.074 196791.7591 117797.2804 134062.1377 123417.9292 129645.4921 137419.9112 182213.8072 97331.5403 147673.0225 162126.1904 190904.7796 188617.6327 146355.5754 144692.6161 123165.1426 169325.6315 153577.3948 143637.4277 153511.1286 212545.3545 153324.045 147888.0833 144784.221 123181.1978 202623.4935 118783.5091 146873.0511 157696.9123 120648.2765 141577.8425 167252.2594 163060.3981 123018.877 128315.367 81822.27927 140839.6177 162467.3589 129129.7292 146655.6744 73851.15 112905.6451 331610.6273 324324.8251 236370.0573 214002.5234 142189.3807 154755.114 158904.4732 146967.9566 137740.2966 168619.7848 147165.8327 173999.2308 145367.9801 385.3794804 367.3887858 390.964756 621.1909967 390.1087365 359.7690493 PA(36:1)>PA(18:0_18:1)_feature1 275976.1093 267469.3176 276526.6279 259491.2358 221731.2509 274583.8842 294114.2226 391096.2797 347617.6785 231746.9967 190633.1985 205824.8259 262560.0095 219985.0157 285798.7523 211867.6048 240607.932 263747.5529 251986.6322 405519.6928 216131.6604 280565.1118 238857.9744 156188.9621 244961.3109 251555.1908 254278.1509 316510.4197 281092.9653 171823.0599 174682.2679 208300.4548 377537.6007 198137.8931 223986.0585 295240.5214 168341.0971 236132.9981 265009.4128 298601.8367 217011.0833 248349.2876 174753.0568 206043.5323 245464.506 226836.4145 208905.5043 151181.3911 176483.7152 532996.4232 792450.6 661502.8163 532235.6159 270332.7317 232773.7788 276655.9143 224618.6141 263400.9222 216701.1893 277417.8447 253127.1938 270082.8045 623.8114095 1755.690667 522.7816332 1465.338104 1598.279968 1855.552144 PA(34:1)>PA(16:0_18:1)_feature1 215545.2427 224439.4515 254468.4777 199331.9743 163279.959 218330.9872 253097.767 290941.2344 238623.1511 181655.3635 152692.3123 149545.9412 221832.3206 172607.0569 243032.2183 127244.8099 225726.0693 191536.3933 189830.8677 229725.0857 209043.106 208273.1879 139651.9385 175096.9616 202781.3743 192606.3867 184535.2097 276189.3902 208561.4881 170975.2024 188114.4934 172733.0775 244047.7179 131397.6216 156628.0733 189450.6975 141428.753 187048.8754 228512.0687 201629.9871 138326.626 173879.1041 111461.9276 186111.1727 211898.6594 161322.087 178314.6453 103506.7967 135719.2839 450398.434 402331.9732 432595.1517 362105.3247 204897.7904 208898.0195 193151.2846 208650.5296 198379.2004 185064.0194 191146.6532 197406.6264 180355.9685 386.5159707 397.5420094 397.8846808 1701.342288 390.3497482 372.5828861 MGDG(34:1)>MGDG(16:0_18:1)_feature1 41278.44633 46360.41102 52028.35556 47188.23869 69804.64489 58861.12685 106013.4609 76295.72076 51801.20811 77545.99524 41800.06377 38991.43038 85117.28331 44051.05167 46335.67821 50930.85682 51837.56371 45033.63402 60376.23496 112440.2548 93844.43918 111328.2526 38039.21973 49430.78428 83409.03284 60418.84733 47672.72313 62273.50788 45767.81396 110167.1117 57460.36778 52465.64553 125009.5889 46919.67723 41644.59687 65731.13475 49876.35302 84058.29533 54406.32004 98455.23293 31663.55424 70623.62809 41108.61137 81182.88171 61344.17976 94368.47387 54363.93664 42552.32933 68408.72016 94373.56876 57773.54622 86888.08621 50072.42375 51790.07371 51315.12725 81754.26827 51356.72795 78973.57838 51437.66468 54732.73545 52347.43739 51629.99634 274.6072701 260.7326463 270.4496886 256.076151 248.1471884 268.0687991 LPE(O-18:2)_feature1 117152.7632 122719.5652 123550.2819 114385.2818 104730.1849 148601.3489 202063.3845 223829.4886 151851.3446 127311.8842 103477.8072 112423.5953 143245.4949 123026.3775 121276.7938 122130.581 132612.9172 126895.357 178891.7184 195101.5628 135362.4917 168687.4178 90719.69068 127246.2972 142386.3419 144345.1378 119496.8382 154153.8214 111610.0918 165282.1664 124672.2026 119400.6074 206985.2967 100569.0267 90792.46177 176576.8363 116663.7497 137441.4377 139532.9648 156563.2743 81712.52485 108523.6267 89483.07892 118971.4801 156749.494 153819.3125 146318.4141 97742.4958 102296.2517 254832.5644 255007.2811 239428.7756 232722.5537 127162.9995 129425.3564 137848.4607 133483.0655 129242.4196 135865.6287 133603.1605 131578.6663 134048.0014 127.1648679 125.5519833 136.0489744 114.4549987 122.4338916 122.5485309 LPE(O-15:0)_feature1 33811.74785 33589.18056 33767.9206 33465.72085 33491.57161 33173.36618 32546.97257 33386.71595 35052.25598 33609.36858 33496.88063 33172.52564 31928.60611 34111.04439 33534.94483 33123.16263 34909.36367 33957.79942 33022.24196 32927.39923 35931.70194 35847.41921 32256.11422 33228.5693 33031.13049 33805.9548 32365.94719 35429.64808 33302.68024 32959.25998 33234.97995 32280.56886 31300.07428 34275.63912 33257.91756 32524.59829 33890.72109 33174.33169 33002.18137 32311.254 34146.92942 32712.00334 31330.53231 32510.77992 31428.884 31298.14095 33696.1414 33458.86449 32707.03009 32663.66051 33180.40503 34709.77916 32205.15615 32055.56565 32714.6937 32667.68769 33042.82812 33311.47431 32199.92909 32742.86625 34995.64191 33892.2651 130.7883124 138.7186216 145.2448987 123.3849551 135.7972095 132.2910311 LPE(22:6)>LPE(22:6/0:0)_and_LPE(0:0/22:6)_feature1and2 212407.0372 95134.43963 85436.26034 78295.33156 74304.96706 98217.64249 133181.3549 96726.75636 89175.65362 89601.74475 97735.58371 75639.93442 92157.08603 116985.765 92180.67509 65427.7125 93468.98451 83305.23561 86659.42103 86946.17657 79365.74519 92050.09749 75082.86094 93834.36798 63040.91467 109736.8917 82281.84308 116596.0298 52363.98694 102268.074 122832.802 92191.13845 71717.01936 66015.32244 31324.09449 93354.48748 74767.60814 91411.59533 61596.65478 122673.4904 61991.74933 60483.12599 51755.89492 117693.3962 133431.4149 56447.84149 91409.58754 95115.41701 94928.81553 162757.4917 159240.0099 111878.1805 126879.7761 80396.86959 90922.10551 86791.92135 89078.42721 87632.53279 88925.75064 81802.32729 94046.70551 93853.86875 188.6243383 245.17606 265.2372376 176.3781613 237.4626947 237.9095026 LPE(20:4)>LPE(20:4/0:0)_and_LPE(0:0/20:4)_feature1and2 115132.982 50954.84105 45927.45137 50903.52309 40423.64899 52122.25515 67083.70948 48854.62092 45488.44389 54556.05542 52022.9062 35790.70674 46175.99546 61379.89695 44169.85291 33128.00825 44546.73599 38091.88708 38529.7531 45450.39269 39592.0406 46621.67635 35743.15231 47980.21398 30743.42972 52223.07011 38157.38869 62478.66192 25324.05581 56087.11364 63679.5795 44154.5578 36338.93909 34054.46338 16515.97512 48321.32533 34503.14854 49676.7695 28804.29124 62717.16586 29583.6956 27596.59509 27076.6014 56531.80587 67149.77439 32749.61255 41921.16166 46039.52372 43313.49305 91540.95931 93502.98895 64436.9135 66703.08467 44859.20271 41415.68494 45242.73971 48255.19236 45103.50149 48317.95571 47219.55017 47690.78205 48739.80224 189.151936 804.3181861 269.044394 178.1505452 1331.701876 613.9188417 LPE(18:0)>LPE(18:0/0:0)_and_LPE(0:0/18:0)_feature1and2 139533.5027 147308.875 122347.9905 139516.6814 115620.1237 149313.0314 183762.8649 150767.3173 170418.7777 125912.9058 137790.5372 144195.3608 137865.4415 169307.5541 145985.1852 121343.3287 165379.8497 127305.177 170239.7383 165426.7204 175961.7213 166467.1306 123629.3992 156818.782 140552.5134 152107.3313 143977.9218 207995.1379 131045.3719 145099.6527 154845.1647 119538.3159 159770.0719 107785.3119 91776.03757 156573.9244 130045.2418 156514.6627 151836.1271 159362.2673 124058.4102 130893.203 126498.967 176884.3152 187046.3514 138535.3735 162417.5664 126323.421 145621.3403 227689.8415 236985.3191 223753.9973 194689.862 152759.5536 145289.9804 144102.6551 145663.1598 156962.9454 149625.3716 156758.9637 149485.8627 156789.6762 114.926855 312.9414819 116.2368082 108.1056478 928.8714636 403.7316976 LPE(16:0)_feature1and2 51079.81124 48840.89631 44588.28918 51186.48601 40519.91963 53242.48697 65232.00788 49915.84186 59905.65251 43379.12522 47148.49293 49785.3168 47558.69877 56887.32751 48622.22568 45548.23041 58332.54181 42791.57131 58058.99415 60426.9156 63179.31147 61516.53995 44683.2634 54464.89811 47967.55097 54242.38585 51066.87595 71384.26296 43894.45216 51633.20732 54868.29925 46057.81082 58126.67425 37712.61406 31522.94591 53489.79896 45276.55304 54679.17298 50234.9118 55120.44887 44210.5244 43395.09696 45465.49295 65746.41984 65996.75689 47386.03686 54569.60464 42483.03349 50065.69418 80902.05448 75130.32256 74507.60692 63644.76502 52488.19442 54215.21841 50467.48474 48809.37265 52346.91698 53585.66919 53474.62809 52248.91722 55197.53659 155.0090443 163.0565569 155.7571888 136.6798286 260.3739097 152.882266 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_M+H2CO2_feature1and2 98341.63142 59545.81136 67086.59727 65731.95549 54271.53045 68526.80216 87969.38836 70367.54428 65095.29077 68835.77997 69127.13445 51204.08225 63679.6224 71835.32547 61989.92389 52789.7094 68415.9833 61613.40778 58507.76595 63813.46774 61624.62491 73872.85091 49442.96106 69601.94682 46829.85503 73992.68724 57499.59649 82086.17633 39966.37391 79421.26251 81417.92562 58105.52854 57415.1692 50339.4074 25765.78324 70666.01613 54204.24689 65304.74027 47379.02704 84209.83675 45959.85258 43720.41871 39682.87434 86047.87504 94889.16373 52581.94001 67635.99192 68152.00807 74951.63171 100175.9672 98623.44168 75623.04365 72793.84137 63419.0152 63314.51873 63250.91185 55635.60542 63822.4864 63107.15566 66560.56284 64870.5065 65210.2278 191.9062511 1285.60859 461.3185805 185.7281748 2185.546073 1295.849486 LPC(18:1)>LPC(18:1/0:0)_and_LPC(0:0/18:1)_M+H2CO2_feature1 175180.1713 135904.701 143428.6044 135886.5547 124223.1337 154903.3962 200327.5295 252143.9108 144905.3207 138271.2177 130823.0922 135337.1605 157220.7095 159698.4999 133110.3731 138438.5371 143802.2471 144893.0949 150650.3269 177001.564 137818.3391 165822.5022 113569.5628 141347.4781 127626.2063 183364.9918 144498.7143 170497.0391 111872.0879 176411.3953 161282.059 142124.8415 168212.2721 111306.5636 72804.00286 180474.1052 129650.197 149135.618 125351.1598 193979.6693 97006.67954 116055.9683 106497.3705 157636.0424 185302.7583 143679.4674 158290.2176 137046.5582 144696.4325 222661.8273 227878.6568 192706.7218 189437.5777 155528.7247 147717.0216 143834.1423 144576.1031 153312.1759 147809.7825 149108.7772 152505.3909 152268.6553 194.7867586 1040.717602 620.1369887 173.29944 1633.640874 893.6322776 LPC(18:0)>LPC(18:0/0:0)_and_LPC(0:0/18:0)_M+H2CO2_feature2 226148.5483 221529.865 225698.8957 230434.6704 184943.6401 264997.4015 346230.2 318252.4632 268508.3971 212614.2064 247447.8857 251067.6739 258922.8827 289227.0339 237203.1397 243217.3107 287393.4019 251937.2339 334114.5314 352725.4713 268585.6719 316261.4771 179682.1554 274564.1419 269305.7498 298145.2169 243682.2451 339742.4881 222505.9589 267566.8505 241947.9143 202347.0421 314382.6522 206666.3435 175459.5984 280632.6895 205567.2224 275815.4841 263158.1454 305485.8135 211288.964 209050.4213 197792.6919 264473.6705 362801.5567 268583.3977 310196.3013 206258.0624 278562.5888 365686.5865 380768.6144 353760.3641 333840.6109 265133.2431 256460.349 251336.6155 252617.4417 259615.9575 262283.8552 266973.5884 265232.4701 262811.5697 127.918381 1310.509468 855.4190145 208.7234795 1838.589288 1287.648968 LPC(16:0)>LPC(16:0/0:0)_and_LPC(0:0/16:0) 2M + H2CO2_feature2 491418.1545 471997.0596 469417.474 476564.7305 406154.1762 516326.9172 657479.2835 556513.8135 574066.8494 455537.836 485337.2831 484249.2655 488493.1837 534838.9805 478959.9215 466763.2662 577647.1534 466763.6564 575334.6798 603379.5131 571670.1266 619983.5977 420258.9808 559885.757 507643.2278 599192.3232 511313.839 679757.8715 422920.1082 565258.9789 528952.6657 456135.4825 584114.4674 422457.36 334612.0649 571866.2338 453544.0943 562260.668 486980.6391 592735.3673 420762.3421 449510.0908 433990.2901 617584.7388 668328.5856 527220.6498 570011.1174 460982.7642 518519.9546 728190.4596 744753.0436 667684.3189 612337.9705 518257.4728 509242.1766 509865.4647 493663.3072 511078.0649 514652.4802 514789.3318 527802.2132 533233.2081 312.4170494 2523.622052 1694.142617 973.035973 3812.851048 1962.389264 HexCer(d44:2)_M+H2CO2_feature1 151872.0376 167294.5612 163168.1095 154722.6507 150462.9636 220949.8892 248296.7045 277147.4181 205993.4544 161387.9112 163712.2126 138958.5763 202807.3546 186578.8543 171125.4274 168816.838 181217.3505 170709.3977 256777.1989 237772.0498 218127.2441 242988.8516 124008.2199 178599.2363 186931.3806 190805.2371 176064.3518 228699.8844 178692.0996 233760.4462 212029.6582 184744.4467 290556.7582 150675.2252 154901.2023 233851.371 168665.101 187291.8105 197523.1213 226134.3159 137886.7812 201793.0009 146601.4949 186838.0552 236936.6425 252853.1489 202550.9875 141295.031 162109.0712 229552.4514 239076.1532 220095.5423 212888.6955 187440.8888 191900.0923 179866.5612 189231.9105 176451.4713 172314.2471 184434.326 189360.6634 184238.9068 180.2989075 180.3866041 185.8360137 175.2017036 170.4078462 179.5009237 HexCer(d44:1)_M+H2CO2_feature1 99326.59145 103052.3981 92226.7225 93157.39075 85598.41019 138786.253 168094.2768 152070.0036 118269.4019 104677.056 102031.0195 93834.66994 139278.7018 116907.7766 111355.5174 115129.2752 106301.8927 104677.4146 155885.3749 159844.8139 125022.1669 141797.718 78732.28776 119569.2926 107171.3473 125467.1731 111837.9303 139741.7508 109865.5166 160288.5232 135941.9096 96260.5043 204534.2094 101134.7231 79444.13409 133159.0883 105560.7793 125417.1399 132605.7129 142588.8899 92187.75392 133590.2466 89006.9481 124127.6195 155914.3809 142061.7661 121050.3916 85226.56057 110545.3562 133783.5629 148154.2036 146115.0725 132966.7462 121302.1928 126271.1818 124762.6549 131643.4447 143356.6901 148449.2344 147270.7754 154550.1569 163847.6579 182.3920785 190.8305071 196.0350384 186.7429404 189.2627125 194.8909238 HexCer(d43:2-OH)>HexCer(d18:1/25:1-OH)_feature1 645026.52 656162.513 600335.7186 642406.1558 542714.3497 827742.9463 861836.0302 1015043.876 850361.7706 643508.0799 599699.4583 578058.2135 756009.077 698874.9179 671990.8315 612073.606 694869.2278 665840.4288 867472.1026 888374.865 752602.3555 868687.2798 517963.2911 635974.524 614438.8167 704641.8656 602829.2718 778874.9982 622418.3403 781327.4836 612251.2838 549578.5312 933900.5371 510445.8242 486956.3708 681120.6581 564116.2085 685015.4574 637987.9842 763217.837 486028.5682 695833.9611 518148.0224 596032.141 780508.4147 710435.0469 696744.8537 469037.4307 598266.3762 1194610.832 1210346.321 1265079.731 1118996.968 702183.6446 659544.7936 661220.8235 688852.304 702641.7842 674659.8322 722150.2691 729147.7029 723373.8573 144.3459678 201.2710028 170.6736219 168.935349 179.2703955 187.4092782 HexCer(d43:2)_M+H2CO2_feature1 374181.4927 403996.9536 364872.2821 383696.3394 304334.818 504450.9939 563806.3057 649542.6074 482566.1945 346690.502 367050.0673 350108.7001 473248.9807 421898.7715 433445.0881 393063.9298 417092.4241 396386.1392 586196.0817 584024.3449 421443.0417 519073.652 277394.8755 393591.4796 389898.2882 410798.7752 390380.3728 481282.2515 357985.1254 502579.2776 407767.7266 340863.5787 620754.2295 317812.0899 297910.9147 454295.3781 355932.3667 400611.6326 391478.8109 488801.5621 292984.7452 438581.7096 312036.2744 363195.2171 480478.4212 484132.6017 430499.5752 305701.4996 357789.2981 596038.4191 588499.5563 571622.4573 505480.6153 417141.3011 425963.1822 403921.5013 422867.5657 421010.7936 418629.2293 422816.5942 425952.8777 438783.8012 166.8789813 186.4418537 162.4020531 152.3088588 203.9670001 229.0918745 HexCer(d43:1-OH)_feature1 931357.3624 1056679.949 906575.7844 1066552.918 901514.1515 1405567.862 1345118.103 1336365.59 1314003.394 1100671 1029952.919 1057139.028 1226277.118 1228997.806 1138999.67 1057205.957 1166426.976 1085568.519 1350917.199 1405057.741 1156738.913 1293434.722 893519.6723 1125881.195 1008091.143 1053807.952 994412.1741 1254037.62 1068480.472 1234427.022 1091512.427 901854.3793 1475322.471 888211.4435 751797.5316 999559.1775 1016443.587 1062420.659 1096325.098 1184886.312 929201.3109 1136097.989 905813.368 1046019.801 1205742.019 1115086.472 1155950.858 861497.95 1032206.22 1549773.72 1654749.206 1836207.142 1622785.437 1126482.714 1095249.827 1092896.302 1131990.757 1124563.117 1141202.485 1130651.076 1192562.558 1159001.454 536.03212 608.3157554 613.0612419 538.6390574 583.1037519 596.0284783 HexCer(d42:3)_M+H2CO2_feature3 390839.1495 404797.0218 435591.5532 394695.5564 385454.499 514791.1368 607614.2705 648394.1581 529980.7845 472505.5873 370191.7798 408457.7864 455498.5299 442452.2592 407627.344 438324.3821 455633.5556 442315.1423 581406.5233 643203.1952 515051.7713 555989.9251 347142.9378 470251.2497 446081.1858 524113.9611 441073.828 541590.1962 389906.4697 587495.4105 461384.8049 435877.5336 604394.1863 380736.6835 280724.828 539089.1122 429262.1496 477650.4755 484908.9059 530918.6372 335724.3149 434221.6603 342142.4515 462732.2072 504000.1348 520601.5139 530707.3746 422153.9473 388584.5922 575268.2519 586796.4703 509685.1662 495391.8069 414251.7066 449148.3527 446419.9472 461206.7931 461035.595 469366.7303 462661.3711 459680.9179 453711.6523 227.0322531 214.727109 277.9036664 219.2912671 200.9382974 229.4755196 HexCer(d42:2-OH)>HexCer(d18:1/24:1-OH)_feature3 6623873.566 6433972.493 6762718.109 6034306.193 5335487.113 8906183.118 8385240.9 10746047.24 3635597.059 6326389.922 6889591.578 6065531.257 8426751.065 6862498.953 6416297.164 6268896.715 6593957.652 6516438.482 9519593.722 9360602.158 7166186.52 9412045.66 5222472.585 6460087.198 7099973.364 6928941.671 4288032.708 8445199.218 6896630.794 8414156.897 7181470.348 6156315.29 10256444.94 5916290.739 6226809.542 8281904.124 6001969.953 6662239.879 7017070.695 7634484.453 5449498.411 7800089.776 5332191.432 6198460.392 8406160.448 8031124.166 7905466.367 5328952.844 6304260.271 10722272.51 12217278.61 11835054.72 11092977.83 7051067.046 6649901.316 6719402.249 6834344.535 6845076.215 6652643.237 6786414.363 6932416.165 7075135.187 835.3803912 940.0074843 914.0554483 846.3896481 837.7546432 884.6822938 HexCer(d42:2)_feature3 5236931.909 5263025.066 5329992.329 5047724.395 4379255.091 7011505.919 8373179.058 9276369.061 6265970.991 5660235.818 5203493.142 4685260.868 6587570.803 5914584.482 5437813.539 5780003.77 5242582.033 5566983.743 7912160.262 8024415.901 6296469.945 7739493.939 4262708.504 5702365.553 5663155.405 5886247.745 5426546.229 6861997.416 5313184.594 7440698.431 6189666.392 5289312.027 8832974.77 4858031.535 4250815.52 7185977.309 4984920.301 5624228.518 6115840.239 7278395.73 4290411.029 5822398.529 4160585.118 5050635.711 7422760.257 7317122.455 6276423.816 4567485.281 5193140.779 7833580.115 8288869.342 7982834.798 7325338.16 6114216.661 5996794.475 6317966.213 5985769.07 6091245.358 5979384.774 6095663.024 6082066.642 6107664.466 520.5990499 602.6145712 896.8782172 521.2762276 587.4297908 1179.525095 HexCer(d42:1-OH)>HexCer(d18:1/24:0-OH)_feature3 12889340.57 12164060.34 11803314.88 13095322.41 10517828.21 16298666.74 16304014.61 17120051.6 14145124.25 12300381.11 12363957.48 11400848.41 14510223.31 13715816.66 13216050.93 12265867.57 13119990.01 12104429.39 16143429.34 16397666.82 13088990.42 15297555.07 10875311.3 13027902.33 12778242.12 13289680.46 12353016.21 14178254.01 12842945.48 15192568 14352475.34 10805665.03 18295632.86 10916161.19 10323540.32 13804872.93 11838779.22 13063864.2 13068676.66 14642668.9 10855978.94 14748687.35 10952372.83 11923224.09 14992857.84 14999377.38 13147459.77 10285441.43 12017456.58 18276070.35 19359215.97 20707494.4 19394228.09 13777410.6 14131915.12 13266412.21 13569291.91 12750059.39 11953603.13 12894229.53 12665794.7 12350005.78 847.5457472 874.4630029 900.8801922 837.1848571 827.2297995 1328.308452 HexCer(d42:1) M+ H2CO2_feature2 43871.56479 44229.96923 47630.2642 41989.22999 36236.66178 61464.96476 67653.17305 83220.93921 52222.31244 40592.18464 52724.00777 32224.27888 54862.23636 47219.34805 51446.35517 45029.74557 42258.17706 42743.23275 66430.65054 64201.19308 49285.59025 73406.89026 33546.2328 47800.16891 48820.0429 53912.07269 42364.61506 68899.4588 46679.39867 68268.29638 52495.97254 44237.24169 85710.8816 44535.06205 47488.84726 69556.13321 41729.19013 51788.31878 55237.33444 70577.72008 37902.74087 54169.09115 36719.71874 40467.98022 66298.6244 57076.49034 61009.25029 36717.25074 43064.47824 80126.85321 79050.05556 82208.60754 78617.26258 52400.74505 51645.53464 47705.05287 50840.34162 52645.50821 51664.25928 52310.34579 53515.02532 52759.33009 213.9822847 230.6457213 168.2186774 227.4571022 196.3475993 220.5339077 HexCer(d42:1)_feature2 2751424.925 2904478.744 2578192.675 2793144.49 2107529.716 3858682.919 4146296.156 4272653.956 3457106.433 2847097.398 2803475.637 2446295.413 3413404.731 3326816.471 2916336.121 2781585.894 3084788.76 2887278.031 4159369.62 4440543.801 3157720.229 3848487.755 2103618.163 3212554.55 2942178.056 2825440.451 2913040.811 3559811.581 3006416.316 3833315.29 3549453.439 2474285.346 4466723.603 2605916.457 2247034.816 3508376.687 2666925.742 3142461.858 3085494.615 3585977.954 2327881.195 3206758.867 2275595.915 2870490.8 3701157.157 3349116.109 3348834.07 2289696.625 2755836.845 4015266.956 4225293.699 4024783.24 3646473.3 3221936.21 2868282.711 2818028.25 3120556.803 3208937.431 3293413.085 3478222.452 3398196.19 3438993.572 619.7393417 645.6325958 665.1771367 628.4136962 3782.191785 2950.442999 HexCer(d42:0-OH)_feature1 361078.51 366978.8476 377411.108 349573.1035 306073.3301 530519.3441 403128.2218 544927.9262 381999.6314 338843.8266 418812.521 296003.9808 443306.424 386002.2508 373714.2492 344344.4486 348054.5179 376945.4699 443217.2457 437861.528 377506.6764 502720.0535 285899.5243 360510.5083 392593.1402 369263.8887 356819.0362 483363.7265 418009.2152 440640.6616 407225.0142 337838.9777 597913.7765 326949.8939 392847.187 453589.9003 372822.2483 405920.0008 439490.6832 479316.0538 363689.2854 481906.4162 324740.7372 313023.7198 462959.8873 442218.7576 441206.2364 291733.9944 395352.3989 553809.7381 550694.7368 724231.8868 656022.1868 409926.3342 408690.3785 402710.1844 432231.6455 423398.329 429211.7303 433705.9333 442926.3132 439519.0699 545.0961329 618.6846602 622.2166945 535.1633773 561.2052502 549.6680434 HexCer(d42:0)_M+H2CO2_feature1 88967.48685 85752.71959 81985.6836 78102.64068 60564.19462 113633.8183 131454.5563 155303.2206 103722.07 81019.6439 102539.83 66546.2053 102639.5569 100735.964 99265.83475 86277.27595 82524.22433 90163.62342 127721.8649 116647.2624 94582.69922 135075.6689 59360.17265 97000.57856 94006.35131 95982.19892 83042.5109 137919.4392 100350.6721 128432.7942 114602.0287 78394.11117 163567.89 73912.82251 79411.22959 124178.5245 80459.46097 100060.195 112962.3251 125291.0667 86066.64028 111105.2084 71029.12066 85949.54185 131155.8328 121879.0141 109980.8318 65540.61719 85624.65955 140228.2112 156632.0531 157521.533 142714.2415 103572.6476 104643.6287 102096.0102 106130.3599 113767.5716 113416.7206 116701.8483 126184.6918 126685.2106 154.453031 160.6028323 168.4576589 164.2846682 174.1819584 178.0427708 HexCer(d41:2-OH)_feature1 198268.0484 209139.1773 208628.0425 189340.05 147298.7831 307354.7207 313119.9335 421897.871 260099.7361 190644.2671 196882.525 161983.5287 268540.8407 224853.2196 206322.6113 204135.1877 204774.9766 219174.8195 325493.2373 328770.6076 235054.5424 311154.6151 143164.8556 215050.7061 211804.7543 222054.7317 189158.8527 286897.6962 211998.3036 267848.5951 204474.3029 174331.5731 349651.3181 160543.7792 163587.9063 251440.5772 184141.6459 213087.6282 212556.754 290689.889 159378.7355 237913.1005 151574.1489 180359.3552 287479.9733 263762.1309 259589.5295 147527.0451 196222.1637 410327.8397 431509.2447 409988.5105 401667.6139 206370.665 215173.2721 218546.3654 226117.2826 232013.7007 222638.9816 237560.6784 233622.4876 226580.1409 376.8647423 376.2063891 672.4161348 413.3485823 377.8371727 417.060325 HexCer(d41:2-OH)_feature2 304299.9713 296881.3384 286381.4406 327516.347 308253.5383 349145.7186 418137.5391 361322.0347 422781.9901 356481.9665 277384.0233 351933.1349 320765.7342 357553.6094 321523.8012 301005.1179 378131.4131 309031.5042 382771.2311 395050.3342 364619.9836 382484.7002 299520.2147 353601.781 311820.4477 330035.957 317511.3609 340603.0048 282601.9996 373099.4055 307652.0655 294362.6495 351438.9202 270661.538 200755.0313 309837.8838 313238.519 324944.0387 295610.4288 331367.9029 249593.1218 321034.5422 292246.8677 354181.3586 302416.9319 336388.5422 347353.9004 295275.8653 296368.0536 572371.6737 536706.4783 534688.471 458220.8747 311238.517 327573.8434 332982.6633 326412.7804 326540.1211 319452.1039 331437.0075 316678.8112 326097.8487 177.5606107 178.097199 194.2563222 171.0641151 167.8581556 178.6386076 HexCer(d41:2)_M+H2CO2_feature2 110177.5031 116413.8657 122608.1265 113189.5864 99814.44936 148288.8182 176021.3573 206227.0651 128373.3083 114906.7144 98525.47142 88201.33987 137967.7855 122873.7607 120765.6746 117801.2695 121591.8634 114358.7115 163092.7937 162037.231 120373.77 174259.6 83028.44088 105317.1218 127977.6472 115975.6887 107556.5256 129481.267 112894.9205 144625.845 121254.5641 111044.5335 185099.8352 101078.1077 98319.1572 147858.4065 102820.8925 116549.0035 116811.0891 146601.3746 77148.00388 115329.8749 89645.9473 91034.85654 166733.4893 151101.8622 141861.1996 91522.06462 110331.7338 153018.9042 155911.0072 158757.1818 151878.0075 116258.9648 130953.3923 112579.3921 117797.4786 119078.5466 118147.7707 136647.9842 123468.7947 117615.2439 166.9757769 164.8462488 164.6144301 161.1028416 178.2981813 165.4615781 HexCer(d41:2)_M+H2CO2_feature3 65959.83077 66922.36512 67008.18584 69669.82421 62552.74563 75221.77455 101246.3714 87524.6217 90667.6341 84399.86441 64169.05847 74829.87358 74969.52845 78746.70506 66060.24566 75083.41503 83946.69535 73672.31312 97539.61233 106039.603 82255.22033 88871.97998 63134.71959 77987.07777 69401.69281 79274.91417 81589.35757 85029.43099 61414.8913 93368.315 72431.47423 65068.66162 83352.66112 67857.20854 42621.93147 80183.41932 68561.77287 73284.08914 74056.58401 81255.26303 55882.33222 69671.8131 61277.22611 84853.05693 77287.85055 76400.03459 76045.42474 67423.3986 70668.63997 103129.3501 104961.9879 86283.94541 76008.4847 79331.07628 74134.93551 69620.93845 74824.1496 54156.55377 76313.50054 75902.62127 73606.37261 72606.32251 166.1801221 198.7970149 196.7640751 184.6122215 185.6953087 190.6336894 HexCer(d41:1-OH)_feature2 4762317.374 4966355.341 4571960.077 5119495.862 4220610.275 6616148.859 6361846.319 6748865.246 6134710.514 4949329.052 4715411.826 4454868.66 5755903.317 5322988.824 5386675.728 4757974.322 5235941.868 5006209.359 6278156.81 6494976.731 4893095.304 5854155.401 4096504.68 5092308.939 4618427.996 4904850.974 4510579.974 5418384.861 4659238.827 5744485.388 4853939.415 4089725.621 6392516.512 4083703.715 3855280.477 4875439.482 4455468.894 4824433.123 4761537.486 5793790.153 4068866.887 5383316.536 4084511.836 4531390.962 5337688.2 4950859.826 5029952.869 3745082.289 4625980.96 7491410.791 7989577.794 8712405.647 7704732.935 5114964.091 5072271.728 4931722.914 5128126.861 4963414.741 5120450.365 5048494.296 5137016.283 4985740.171 746.0763052 1102.135016 777.1552425 723.4927054 976.0592334 1273.142489 HexCer(d41:1)_feature1 709520.0673 723436.3467 671887.891 699612.2234 581691.9599 937588.0006 1011670.781 1055453.436 909046.3817 713098.6634 648952.428 617136.4787 865218.2 900524.8245 854203.7054 729092.765 839813.1765 787693.0624 1075724.873 1014097.433 721508.2376 935643.1509 575593.3272 741849.9631 681576.191 696995.1861 695090.4665 834377.0699 716139.3593 940350.4427 844426.4846 668547.7378 1103083.574 592618.7396 554685.9476 786325.4615 692572.2674 787679.728 672507.1413 873447.9883 689924.9828 829631.8731 542743.6903 676534.7399 850472.3703 820928.9828 751875.4787 649897.1889 703433.2469 990843.6222 987883.0559 945912.7511 1008139.758 807067.3059 725873.254 741303.7375 809688.9929 754445.2549 831436.7444 804388.0336 873469.3746 852669.2 414.1581337 450.3900238 459.7711176 458.1372001 526.9801969 499.6440675 HexCer(d40:2-OH)_M+H2CO2_feature1 104178.0037 102399.6819 118766.8894 100496.1365 93861.60928 157148.9728 128738.3557 200719.429 126228.7885 107295.9717 112293.664 83584.36265 131291.9454 102099.5859 113896.5534 100490.245 97790.62426 113360.1412 147900.4894 145725.3987 110388.6687 161291.4979 82386.63107 103238.4635 117815.5475 112276.8359 99353.49318 130427.5196 122141.9588 138640.2156 103891.3282 100629.7673 169622.7609 99672.01788 111080.6369 132140.2555 95148.52779 102849.7898 121105.9986 136969.3891 83162.16808 131409.1796 91723.46029 88284.74971 138431.937 150503.2886 122329.6112 79342.95958 99084.4293 182239.9057 183711.0215 180272.8373 168622.0511 123373.5154 116108.0423 118927.6726 120255.5579 126326.9093 117137.9014 125480.6282 119506.8135 122379.2288 210.0904026 206.1393004 210.1769854 194.2646474 200.6073805 199.4467413 HexCer(d40:2-OH)_feature2 224972.1635 242712.9708 245402.0891 239041.7005 218238.4491 301327.8467 373342.7895 363908.5137 337725.4285 281561.8307 232388.2453 256745.35 276885.0297 280020.0956 253887.03 223605.8084 293391.0441 248901.154 342788.1092 352421.7102 326164.648 324619.8574 210062.395 304091.7477 271398.8586 292060.7793 257661.1708 325730.9303 234738.392 341457.8496 270973.5921 233117.1774 328588.7329 200821.8887 156595.7921 299559.4612 256509.0241 296302.8646 276187.7509 315288.9135 206188.6137 274504.0384 227014.4797 305181.3808 300214.0354 289661.3548 312241.4077 242665.5749 260863.7858 531618.5807 569859.6407 485000.6667 468414.9362 253220.2271 266595.375 262906.4547 275482.0809 272847.7319 284215.4862 287249.6983 284669.7072 292287.8692 414.6385599 438.39445 435.2629739 428.6059049 426.9224458 441.33805 HexCer(d40:2)_M+H2CO2_feature2 65029.37326 67944.27681 71762.07433 66226.21828 61764.63402 88706.94904 112822.5665 110606.1776 95051.53102 82867.31696 61791.64182 66354.98139 81627.15948 77035.61728 68894.02162 70245.64387 78077.69482 74586.23435 105047.6103 106923.4202 88936.89054 90991.41186 56508.42017 83659.13016 72679.22838 83005.332 75437.33133 94058.90716 65601.09509 102200.2499 83559.728 66758.99919 100714.7972 60469.52478 43819.72758 93958.48548 66493.38068 80381.48444 79062.81679 94978.91631 55515.66362 74648.80826 58943.67427 83007.5505 85125.57281 91925.53866 87465.69174 73613.66657 66559.29232 119699.8911 125827.7175 108464.5691 108643.049 72833.70906 72156.03994 73602.07373 77726.93903 82568.88666 76573.57652 83895.6671 78898.34006 78042.80384 179.8498234 273.744135 272.6409597 195.1482075 245.4591535 252.9626904 HexCer(d40:2)_M+H2CO2_feature3 29749.3463 27473.53353 27670.53857 28525.72502 32273.96863 40233.45418 27657.83912 36528.685 29300.03527 30555.88827 29803.88363 25007.92596 34299.49384 33190.7612 34868.17698 28628.59295 30707.97134 37101.56149 32610.27712 38301.49757 25263.15538 30537.88457 30864.94409 30766.43376 23934.67783 29750.02304 27652.58895 27267.54282 29874.58 32855.44306 29236.99215 24985.53481 40106.27936 32589.07577 27797.61711 29566.91055 27000.90829 24961.50601 26775.17589 32389.50591 27963.49112 28771.49134 23264.09163 27774.4274 33159.69731 28860.96446 27988.04993 23937.94419 31865.93661 31497.46392 45781.22678 34194.30319 35765.51948 26691.27055 28337.05778 31983.62263 32037.42325 30668.56724 30062.54355 28274.10846 33480.88014 27832.26919 273.4690551 321.0498853 323.3984786 294.3150781 298.8101992 312.69179 HexCer(d40:2)_M+H2CO2_feature1 140537.3209 162534.6364 187208.5862 148401.4757 122995.6949 237002.9436 265535.2329 352544.0496 191934.7393 153253.7954 166967.5541 149635.144 211817.5014 174479.8347 169860.3482 163728.0067 152509.6694 171623.5461 260204.7912 335727.5128 195128.6225 279630.933 106742.5494 177695.7798 190542.2284 187070.0177 150691.7345 235057.2137 190832.966 247723.0418 183598.278 155238.9002 322056.5826 149804.1832 157759.0748 281651.9253 146478.6538 218155.7913 193358.8258 235183.3533 131064.6327 192613.1835 118600.5893 147569.2974 296554.2789 251404.251 209293.4851 133472.1477 166748.4694 252340.706 295146.015 227962.2104 221552.8798 171507.2024 209484.39 177357.6247 193562.928 192177.2369 201374.8032 231812.3928 211499.998 202012.2354 212.3110383 545.087785 221.999495 218.6041546 217.745531 225.0979984 HexCer(d40:1-OH)>HexCer(d18:1/22:0-OH)_feature2 4877417.195 4588526.883 4423540.552 4577716.876 3569076.453 4005908.728 5626503.889 6508376.667 5192297.593 4412124.865 4595534.199 3928896.917 5363718.332 4927325.017 4770994.691 4209887.463 4399355.709 4614261.79 5824547.026 5750609.502 4770056.564 5857286.097 2442356.388 4841489.154 4405961.141 4570688.43 4407040.822 5272795.736 4625908.716 5437362.189 4936163.969 4024235.809 4318633.23 4176060.27 4044685.248 4697759.582 4111449.835 4414260.419 4647950.617 5322668.325 4069459.651 5517822.267 3598705.964 4101420.057 5344365.755 5364993.744 4827125.478 2388218.09 4687220.677 7062724.448 7200731.392 8116747.522 7278343.705 4932746.658 4758151.658 4679640.157 5038223.155 4973824.357 5058260.431 4975067.405 5015982.899 4905288.381 694.7552956 866.0357241 821.9181697 758.8302353 768.5630826 958.875002 HexCer(d40:1)_feature2 865564.9675 888819.9065 856522.5629 882401.7146 724225.0591 1226771.908 1321208.734 1435517.232 1046853.976 897685.9926 871127.5268 700132.2164 689656.1866 1019355.505 915641.8593 914868.6323 872541.232 896445.1858 1303876.376 1244740.251 969880.6495 1242045.146 685405.1979 976596.4151 908448.5999 976283.6191 888397.8744 745581.7804 929980.5701 1175205.165 1043586.916 833482.7399 984476.2201 819821.6367 796253.6821 1134799.111 517120.9296 945555.5122 984404.4741 1216122.092 789891.3573 1093131.726 714705.0132 862474.8254 1197077.54 740315.7196 968845.2021 719486.1032 889046.1795 1224728.069 1454672.224 1377892.868 1230366.143 924968.6115 616557.5549 998028.8501 947722.2022 660231.4153 955526.8883 1045178.089 1009744.872 995752.8412 442.382808 557.1395538 679.971122 449.2560071 1185.288097 773.0217819 HexCer(d39:2-OH)_feature1 153505.5221 160004.1307 154791.9443 151756.0571 120665.9671 231315.2776 196138.0756 239341.9244 192592.1299 148755.7073 144726.2863 126450.48 168595.3009 161875.6457 158590.2649 137107.4319 146734.2175 149869.8665 201334.8546 188008.4599 152649.5693 185120.5913 114678.1 150405.4011 137207.8279 143624.9848 124144.3239 174225.2078 155996.7729 170102.4802 145883.7753 114095.0781 194759.3912 122892.9788 129018.5728 158978.5583 127081.801 153828.5045 135398.5047 179510.6217 115964.636 172042.3616 117551.2569 123650.6363 168405.7027 166216.5851 159740.7646 115648.7368 142615.6588 301942.3364 293994.2523 336114.1996 333512.1039 142403.6414 158464.1323 166531.3034 161469.9624 172595.4416 150348.1514 162865.2448 159315.0366 155649.9667 549.8477209 838.3703431 848.2482389 631.2176141 910.2960966 1007.207751 HexCer(d38:1-OH)_feature1 322856.9884 313405.7174 323910.0718 322395.1288 277876.3158 481987.2781 372532.4029 502501.0296 376920.8089 306060.9345 313891.8188 252495.1704 349938.9122 318647.9564 328929.75 261534.3861 280728.5786 294297.8211 392158.2805 357445.2633 318505.4063 431873.8198 258921.1168 328614.5928 321601.1973 291951.2066 262561.4008 360599.0019 338774.1615 380594.6868 343380.3415 271966.4439 433387.4285 278839.1423 323059.451 374810.7257 280618.4815 311326.5189 309228.3264 364380.701 256562.6245 380139.2144 252868.571 253624.1444 353800.1865 362546.2373 318822.16 225966.7816 297913.2865 656960.2527 653716.5562 735412.8415 677992.8221 329994.6726 340225.8544 330183.3197 327360.7663 334969.7074 338892.0577 341728.0755 342895.0109 343677.0161 463.1285603 454.4186513 463.3194257 437.4196849 435.668791 448.2335347 HexCer(d38:1)_feature1 818822.2538 856826.7822 910821.7175 840025.4317 695639.1224 1233840.281 1216854.165 1447311.479 1030811.716 850420.5952 834216.5626 657453.2459 948910.9991 945037.2614 896165.2107 777444.0777 835432.6232 838900.3591 1253729.459 1165484.972 957287.9021 1211682.963 636864.0151 942142.8372 956834.3386 869320.6213 769113.5308 1111846.595 914617.7179 1212054.792 1080681.43 767491.3213 1293509.134 726892.469 755238.1401 1148482.41 831729.4288 910213.2325 969781.1612 1132246.475 701963.0358 1000353.599 664843.5528 802403.9149 1040110.778 1096870.192 1017833.89 640675.2091 846998.6175 1570577.178 1639697.435 1589027.915 1455704.548 857252.4582 876514.6559 911544.0253 973058.6745 986809.6908 976625.2923 968428.7327 952588.5459 974939.4681 583.2215738 614.3670498 599.6960353 599.6734102 600.8396723 620.7764955 HexCer(d36:1)_feature1 646074.2142 688190.5709 705600.6742 651733.6256 574757.5837 915376.184 930295.2345 1109753.247 792616.9702 639890.0658 681096.6988 549189.3205 816198.8734 756327.2202 723093.2111 690613.7436 693072.6182 712364.7548 953389.2244 950630.5913 714297.5002 917948.162 539416.7002 743696.2189 738442.4907 764696.8544 635341.5145 808153.2136 727727.9375 929445.5719 804260.9266 648267.4053 1210805.653 661145.4445 650797.0104 907916.1396 677772.6257 728002.3285 760791.071 947116.8398 605239.8879 820307.6801 609721.3118 648863.6586 863495.2013 910572.3337 805274.8589 572922.2421 710759.2398 883198.0797 898459.1407 879507.5753 827493.8206 687061.4052 719038.9305 791684.0944 755911.2875 752926.7794 753206.9478 773865.548 769051.1474 754682.9418 646.1568374 629.1566344 659.9110642 612.97675 611.2315957 596.2173827 Hex2Cer(d42:3)_feature1 56590.34092 59673.70945 51091.94966 53470.66673 51339.07107 77642.05873 73681.58961 79141.21928 62599.07059 56601.96231 61500.83263 53922.81108 70936.15449 68563.1638 60044.48369 63651.48093 61788.83659 60341.69602 74570.38122 81327.6876 65309.5983 71911.04223 46843.8648 65314.68107 55058.01475 56194.91654 57847.12717 74146.05188 59709.52496 78017.85587 75460.13362 51720.20851 83623.86556 52978.79177 44817.48503 60677.82568 63503.42581 64813.2713 68740.57867 66017.60539 52876.55913 75730.23672 52124.7728 62808.37771 74859.79711 65750.847 66854.10395 50605.13119 63060.89801 72789.17296 82618.8529 90522.80573 88281.16773 59790.68284 62386.64789 61110.90195 66078.77721 67035.43009 73247.7301 71970.02809 69979.83731 66568.76978 179.837183 208.0736677 200.1623039 185.6643764 183.1539672 185.2648444 Hex2Cer(d41:3)_feature1 144985.5491 163231.7988 128618.7133 149412.7541 131255.1119 200354.3352 186224.3036 190920.524 189306.8257 152305.5707 157224.8624 154689.4529 182737.8391 184334.7817 161761.1816 165793.8215 176673.7218 178284.0694 193577.037 196530.5593 170838.7411 170767.4848 131618.5263 168269.5306 139420.6995 145380.7343 145365.3616 187768.1012 162458.5902 178890.5722 162829.9782 134129.8035 186725.2002 132407.3677 114959.1716 148139.0631 165811.0487 157257.756 162091.5982 170839.6672 145808.4177 177084.1423 130924.5749 161973.2408 173363.724 156194.2284 176039.5143 137088.2907 157696.5732 191693.3622 209093.4058 213001.774 215017.5523 163958.2283 157094.9161 153879.4364 163798.1619 161608.2975 174024.8272 165096.955 174390.974 159187.3479 173.2745278 196.6405022 198.1744997 174.1172308 188.4906212 192.6685907 Hex2Cer(d40:3)_feature1 688293.6792 738464.8048 667614.0627 720531.8311 640921.2362 767330.639 756088.3862 748109.3988 692287.3643 441686.5212 726375.6626 678599.8364 473381.5265 753817.2655 761318.2252 726748.4959 791494.0506 702691.6281 744305.7502 722803.6597 734958.7638 685353.8991 679720.8865 722453.2329 672133.1426 689662.6557 723803.1985 715714.9937 715271.3202 719515.8069 749199.7427 424412.1063 694595.2726 678214.2789 747609.3776 695951.6215 734731.0373 726432.6483 704825.979 723526.8365 706547.6959 755767.9152 682697.3866 464279.3783 462463.2173 696443.0881 729844.2178 715426.5288 711151.4766 447747.9701 731010.6584 699952.5132 765256.6885 716790.925 720956.0764 679569.5359 781923.685 688336.8493 675826.3429 700219.3775 677203.864 678185.417 279.7152211 279.8512733 288.3054721 274.1255508 264.7353998 303.5183748 Hex2Cer(d38:3)_feature1 229417.7573 228519.3443 134763.0194 132691.6803 187420.9406 249278.1628 215973.9042 226758.4299 226741.629 206917.435 235853.7337 198507.3867 229728.7247 140178.8663 220646.6187 201884.5348 200862.5177 220812.2499 133904.0491 131204.1547 214536.9987 214853.3281 209887.0684 231273.1141 208535.7498 198906.7276 222315.9456 209609.6801 225128.2914 131448.0402 239339.276 123815.5348 133062.5862 226309.6358 219263.3849 201676.7777 131862.4626 134474.043 216883.4611 218619.7007 242000.5312 248911.8222 196798.6205 209188.4347 223397.2628 208883.0263 215890.5736 211296.5723 236202.7746 204141.0111 219537.5771 228805.827 252920.6876 221703.8121 210404.8248 215796.0163 219082.121 220131.1744 223311.4764 228198.7676 229343.7333 198532.3009 154.6847749 181.5983502 182.9268062 168.6407357 171.1972397 176.8706851 FA(22:6)_feature1 89820.89104 43537.12215 43200.608 82101.94531 50002.48351 46906.82662 84056.87395 46284.0554 47411.76256 50246.92052 46552.85248 39151.81314 50593.11449 99511.82816 47692.06399 42018.04305 47438.16892 46987.99909 47443.66988 46294.70955 39454.07722 42491.10033 37380.31445 51142.3599 33179.54691 54878.91965 52991.85842 85557.85505 33518.38142 52265.40746 69479.17468 45624.80944 40395.67574 32621.6094 22737.50208 51622.19558 32934.04813 52959.94009 79638.45732 61718.30706 43638.08575 28550.29657 33045.96433 65325.7947 63037.75411 38427.05501 52001.82149 47292.70588 47779.07367 229681.064 260265.6293 351941.746 364516.705 50861.47982 52856.0108 47682.57419 54945.63893 47983.94035 45231.17835 48811.92825 48140.2006 48162.65875 143.5606182 150.4775079 144.5324966 137.9770401 253.3674057 163.7236921 FA(20:4)_feature1 209544.5551 191448.2693 178226.5112 176465.4528 148107.3295 202303.7003 240913.7095 163904.6851 210594.6231 188569.0082 177057.147 170706.3363 188584.9588 211348.852 193852.2138 187960.5332 207993.5666 163456.3806 226129.5179 173240.2283 186840.7511 196708.0818 171022.4094 207467.72 171922.428 213682.9118 197339.1374 318782.9735 147735.1822 205320.4415 230490.2133 187686.6811 156704.9639 142706.1729 102310.8679 218287.1564 179058.0879 188930.1682 170449.4165 205096.8882 175736.4108 127188.3343 180217.7624 238404.2593 218415.1397 169022.8721 201811.5964 181315.7346 196273.1977 365126.8197 359412.4863 294410.4882 287237.6897 190138.2943 189772.7693 177995.1666 185595.6901 171070.8136 195644.5881 186060.7682 185901.1235 186124.182 109.8292809 112.8317972 121.8090841 103.4365541 105.0252367 105.3324521 CL(76:10)_feature1 34771.35043 38913.58282 34484.36601 21720.31109 26241.31549 22244.91757 29973.08897 31013.06243 44374.19213 29177.21285 27420.09665 35206.05864 22398.4007 30812.36455 33017.16067 24108.60797 38008.83488 26409.87754 39061.88087 22047.24073 38768.40715 28265.61663 23798.10437 40560.80642 32596.27538 37451.52546 32942.07135 49288.27563 22738.77983 31673.18112 39559.04074 31380.91736 29124.21735 25711.40702 18062.58574 28888.734 22523.04353 37006.90019 31390.24465 29177.06627 34762.9261 27326.3275 32411.34374 46275.85728 36206.67735 25307.82169 32246.20158 28836.11446 36774.95135 55809.16659 56408.6095 34543.76005 36387.77473 20396.51632 25898.32096 26630.71743 34413.42441 34304.04686 44775.93403 46550.94618 46090.36474 47206.95719 244.9466878 240.680134 284.0257385 244.456169 276.9793937 262.1988822 Cer(d42:2)_M+H2CO2_feature4 302181.3968 319748.0477 317393.6052 319062.1107 252253.7883 387776.8263 495856.8331 534067.1706 403886.2946 333456.8592 328610.2837 301810.5096 365519.3437 378762.8798 337845.8373 328466.6087 340717.6979 334412.5956 476727.4031 500165.1386 402591.3372 464501.3685 251045.9356 364569.0946 346720.963 376972.2355 314089.0042 455095.9636 307535.4143 441173.8632 386223.3544 302840.311 498687.7459 296824.4512 240481.2073 457180.9589 295057.7376 381257.7962 314986.9785 436705.4825 279213.174 324545.9815 284640.2451 355011.8715 457645.7888 409343.28 449377.7069 277453.4253 323833.9705 531349.3769 563920.9409 474214.5579 434956.1416 358327.7052 337827.426 314607.9058 324137.3866 274415.556 253389.1062 227200.2074 224684.3585 202944.2658 164.1767308 164.2565857 156.633183 159.5353146 201.0054194 300.0875751 Cer(d42:1)_M+H2CO2_feature3 49965.24287 50974.51715 45936.06173 62004.3115 45948.47791 55042.67404 86837.23137 71214.94467 71585.21971 54940.49137 55447.50944 51118.39167 55954.77716 61903.70088 51656.35882 52694.18301 68276.36367 52818.95354 73531.15886 85993.27808 75217.48596 66906.29959 36594.35193 70932.13423 54411.54215 60100.18739 53222.15637 73366.8215 53605.15771 67281.40809 71345.67787 46029.53674 72467.71207 52578.64911 45585.93133 72394.59051 50000.19273 82182.94637 62047.63611 64960.38775 59464.75526 49712.85459 44211.70064 65435.62274 86231.5285 58843.27537 78012.11946 47142.25446 59688.73087 88789.51861 85437.90932 76439.81102 66016.32616 63393.40918 56951.47471 56448.71441 56093.95112 57615.83879 54335.28292 53837.27846 57407.56064 54508.8024 177.1806888 181.7793842 207.6317043 186.7790868 300.8886578 200.1130017 Cer(d41:2)_M+H2CO2_feature2 30790.68788 36344.563 29706.70436 31716.43823 30517.289 29282.59041 44251.79196 36405.54179 48175.20955 34724.67629 31831.40988 40541.3773 29704.16671 42098.43599 41174.64666 29593.94619 42611.16383 31676.91056 45583.46207 42591.87407 42362.4004 38219.29222 31752.70526 45764.73475 37564.08991 41423.68249 33822.26948 49829.21465 30246.9777 37501.50685 43300.45984 31539.78883 37507.54045 28992.23948 21860.39554 44061.04468 34522.87294 39126.00211 38144.10902 43433.21521 34536.90765 30376.27045 34136.49113 41251.42497 42199.96112 33425.78301 48897.98026 36432.66837 36371.0863 45338.85292 53155.59338 42099.14934 39232.61326 37858.94806 36557.90308 36044.74764 34919.64114 30768.16494 27410.85253 28445.57439 27333.5918 26029.22882 165.9789623 176.7707446 180.6545298 171.769277 171.0712992 190.1870572 Cer(d41:1)_M+H2CO2_feature1 64996.74423 74555.79542 54909.54745 70724.42559 59110.51099 80308.42515 107614.8143 96400.51997 100471.3747 69140.44948 69224.22469 82890.18847 73797.47711 87504.9445 73280.29168 66005.78246 73467.37331 67625.5761 100196.2917 92877.06114 87507.992 86192.30835 55816.69219 81027.17184 66352.62184 79240.99315 65609.15454 102281.2916 56257.01573 90769.43968 86511.2897 59172.38842 97150.68845 60432.9418 43227.17645 89306.79356 72551.11545 81981.93795 72147.92471 90161.61172 67101.4199 69554.23778 66021.25481 89274.39997 92876.05783 75224.21597 104258.5581 64018.01951 74025.95282 117551.3606 118802.6729 111262.1422 93994.08476 74602.05008 70745.4781 67339.27811 67997.74006 67113.71672 66772.26133 65197.03639 64903.91268 64713.59954 179.6621969 200.6339313 186.7013933 171.9987463 170.9934828 195.8301244 Cer(d38:1)_feature1 907264.7007 970495.9467 802779.4157 981135.8399 721731.0883 962677.6603 1175227.549 889137.9703 1156218.562 904603.4015 851830.4725 1071716.439 866137.8442 998685.3717 881118.6232 874262.1053 1021692.455 853483.1028 1082048.727 1012907.203 1258528.625 1152909.835 959040.528 1110789.3 864196.5514 1025236.989 941959.8828 1232144.372 797750.2479 1097565.438 1170699.321 928815.9612 1004557.186 894144.2761 602253.4453 1017545.206 1029681.759 1107016.796 859076.6927 1017011.219 852836.8429 857314.0961 1021815.9 1280078.473 1197371.245 999990.3249 1257036.035 932357.0116 1102424.256 1372633.51 1408700.279 1299608.872 1169067.607 1001955.856 948761.3659 1009619.217 955019.0323 933741.9178 848305.0127 830704.1885 823192.2997 777081.8786 329.9099401 380.5103214 566.3179003 329.7097691 374.9452186 384.9370498 Cer(d36:2) M + HCO2_feature1 560176.0065 677101.6759 643262.7042 604406.9818 516844.7082 526758.9695 716922.7829 551454.1046 803314.7507 584141.6429 622613.0693 699089.0539 595383.55 777424.5744 672705.838 572314.1424 678826.5332 554296.9268 694534.8324 615209.2423 738678.9303 680136.834 610901.5401 777488.3197 605841.803 682729.9824 643768.8124 980859.1576 508958.9132 679061.7451 690471.3346 578985.7921 653746.7292 580061.2587 398819.0964 718348.8343 639280.9951 622705.6169 575887.3862 688188.4733 649751.8543 558558.5226 665997.1356 829957.2836 714089.6739 619861.6996 748498.6567 652211.9373 715872.6029 947403.7745 912933.3073 787701.7542 745367.3132 619668.4782 631742.2317 653919.6923 623138.6327 587399.1961 577805.3322 572664.0591 571577.285 530398.84 213.2979618 207.686153 217.8382659 204.9731145 201.7690536 198.2305443 Cer(d36:1)_feature1 3181920.037 3703627.973 3282622.568 3417857.727 2909382.165 3619848.007 4058706.83 3235051.617 4366167.261 3321123.817 3674952.604 3879203.75 3392458.195 3983982.073 3458720.767 3307842.688 3904435.569 3128894.491 3964450.214 3593042.951 4739787.552 4250411.791 3398447.58 4462687.482 3192259.461 4090955.254 3610546.729 5158755.157 3081217.205 4216377.7 4211918.796 3343533.146 3825386.757 3297696.639 2270516.055 3890858.234 3731422.744 3718813.735 3172160.867 3885702.458 3677655.044 3436541.265 3688699.26 4971027.116 4424526.333 3635619.121 4609767.212 3896092.592 4369057.127 5053381.389 5219929.855 4510236.507 4267778.958 3427577.088 3665963.133 3706648.193 3692025.288 3703565.495 3604127.971 3584912.229 3588842.214 3636340.536 669.9054198 673.6405714 670.258752 661.7534983 647.8165958 672.4787855 Cer(d34:1)_M+H2CO2_feature1 59191.62946 57507.98255 52065.77904 60410.40937 51855.01176 50382.16667 65465.97301 53746.53492 63726.25215 54457.68787 58330.49593 64204.53157 38981.27603 65662.9729 54919.85473 55604.62821 73798.42432 48975.87025 61430.77028 60777.55614 71719.40701 63505.88538 54901.52741 71085.86201 55498.81822 66601.19348 48473.87012 78590.24632 53908.58946 58076.06748 64526.56539 53055.15915 54800.8014 58637.92157 46293.91226 67533.37842 53484.39015 71280.61986 56247.85844 60968.02255 63196.16763 49829.04321 53387.3476 69362.11672 74600.74468 56748.0344 77762.72058 58530.64636 66789.33255 72735.27297 69607.12324 67209.23153 62792.95912 58596.19421 55544.11605 57274.85519 54056.34919 58908.34964 63009.08797 63463.45083 62308.5649 59463.50414 191.7941869 187.5275843 191.3704206 191.5208894 404.4231081 183.3958023 New_Sulfatide(d42:2-OH) 78036.08109 81829.89654 76446.17423 76581.30523 62869.46495 84448.71291 81009.9057 75399.09725 92631.76339 81063.06844 60111.30493 74227.23417 65488.00092 68782.6825 83782.74303 56734.15924 92346.62615 68570.72628 73686.16001 81664.02822 82455.7095 75414.36924 61574.78907 74051.45569 73222.95396 72545.35737 67224.07245 86690.69021 68757.84003 70118.13565 68320.08003 62646.59833 76678.35703 60162.58833 50442.25091 63427.55254 59412.41089 70069.22006 71033.11606 64771.34712 53283.44264 73283.53892 56537.27802 75647.37045 62403.44967 61588.96941 60991.46329 54692.87099 54154.42443 183338.8724 184774.8302 169457.9331 148741.8222 75334.44658 75795.58634 76309.3728 75956.44762 72265.98005 70678.98831 72552.78102 71007.96449 72381.74447 234.4261795 233.7413168 234.5498242 244.3817464 230.0234928 240.5642291 New_Sulfatide(d42:1) 1035155.155 980145.8334 988616.2533 1041104.201 1012533.319 1325663.5 719244.0641 947776.7277 747517.5253 1089503.404 1001583.322 764917.1592 1179778.062 995707.4375 1139387.319 1105714.055 1031575.929 928487.1966 791731.8273 1151328.989 748280.9038 924336.5855 775070.7987 697112.9301 1029350.973 823758.8013 909084.0545 981592.0749 1087921.511 961353.9383 791044.3742 876022.6922 1332693.111 1003848.514 1007545.606 782179.1727 805942.1218 709300.3123 951372.0748 915581.5868 798636.578 1269641.612 688989.5353 644198.1177 935952.6224 1107328.753 669155.2626 717487.8878 781473.4284 1630942.53 1590793.907 2408866.67 2008895.719 1065193.888 1080506.28 1116644.443 1127684.524 942970.9758 992520.9661 880959.5204 912482.5822 974439.6606 146.9004561 175.7332453 173.9361604 163.1941245 164.1515556 168.5170017 New_Sulfatide(d40:2) 66705.86891 62830.02486 62719.87365 63325.83212 51127.55829 76216.65693 92603.35322 88623.22698 80501.091 65848.97901 56691.15511 55326.65297 61926.50639 68904.31019 72013.22849 55514.5281 71668.95859 62926.81444 74309.89218 78257.39976 72637.26744 70955.23716 52354.83375 70812.76699 66325.15129 77293.70763 62250.42731 85884.98976 60354.60469 72816.84017 74472.57612 58024.42382 89739.62604 53466.94867 42117.43133 72293.71715 57016.02084 65744.05405 68573.06479 73728.77744 52938.57414 70999.53262 53359.91902 68314.07776 70678.70003 67985.35264 64610.51878 51544.96156 57671.35382 99198.93276 117384.8911 86972.2681 82014.44857 59376.75817 64825.23105 65498.44609 69728.40068 65480.49518 67531.47268 67174.3656 72340.1547 61894.50037 208.5444512 220.4657896 213.9953191 200.8929767 193.0344676 196.6034564 New_PE(O-38:4)>PE(O-18:1/20:3) 79330.26922 81547.93166 117921.128 84965.11118 72593.1507 97960.077 128897.8307 113910.2418 113750.8577 91448.90796 83256.17834 94400.27437 117842.8447 85234.09856 95118.56306 99200.38261 104602.3349 102851.0232 112763.8102 144304.3731 117625.4291 132571.973 77711.74758 113691.6203 83548.36703 118510.7126 115318.3644 140321.2434 108680.9272 126069.0206 108694.9875 93834.80606 111816.4765 73363.54142 54395.10823 107838.4819 81211.73328 96606.48323 86948.60348 129744.1822 84627.20921 108723.0947 86057.06545 167402.4504 123295.0812 118966.5325 107308.6494 98328.12828 113558.9147 140709.2182 152440.9165 117105.6029 113013.2033 97690.94599 95947.90676 99413.87363 103014.3263 105936.5268 106814.9792 109213.995 103495.5241 108482.0829 185.9161059 259.8554038 201.7941283 191.3344989 285.9264 294.4554261 New_PE(38:6)>PE(18:0_22:6) M + HCO2 + Na 384274.4449 353623.5561 339101.3039 369077.083 367271.177 358489.6557 399700.0213 373333.45 392314.0036 364457.351 390617.7712 399491.306 396765.2537 420911.4745 390490.5522 393986.4781 399249.6024 384722.4994 418919.7379 374712.7107 415345.4777 342925.4654 394489.9533 408971.0113 358949.6199 387627.5799 401619.6179 417213.7158 412097.9407 382977.3898 423737.4737 404454.3571 346001.1366 366108.6947 375013.8274 385691.1299 432849.3671 400866.8439 407480.2077 404015.715 399156.1061 368184.0621 386084.6337 404161.4241 414196.7352 377293.0867 405127.0681 414985.6529 399418.3593 381125.7112 402676.3717 373953.3452 412589.215 374995.9406 371109.1504 371563.1549 381118.9589 387296.5907 399187.2099 405869.3921 402467.1437 400023.1293 312.8797211 302.7247213 322.1510872 304.5239841 291.9268242 290.7014709 New_PE(38:1)>PE(18:1_20:0)_and_PE(18:0_20:1) 19633.30861 24729.16965 24192.48047 16511.3932 19678.16027 15679.1144 36110.88772 34667.13299 28087.09655 26492.15015 21288.9931 18679.22693 29084.27962 25630.92868 22922.29807 19503.93816 30832.63825 26910.93921 26865.31176 26073.91117 30943.26442 27751.56409 21762.73094 23442.14556 21985.81549 25033.93463 27432.48441 32894.60656 25113.97676 33333.77268 27363.38264 25879.70176 35373.38502 20608.75831 19327.70751 25409.25276 28224.86453 10364.46816 20936.22034 19681.66151 26759.46102 22652.6766 22803.29914 26227.1747 33834.69482 30090.78767 29186.26084 18688.65943 15757.81605 33585.75079 32247.81139 32364.82374 30672.37875 23972.59436 23702.97965 23416.70949 18089.47984 26803.7363 31244.62777 27375.44491 29175.51084 28721.85177 253.3390417 264.8652777 269.0333704 253.9942976 252.9776149 262.2412724 New_MGDG(34:1)>MGDG(16:0_18:1) 52895.84875 45400.49115 44437.90831 38184.43846 36723.41575 43878.14278 52408.87653 51004.8748 46047.30175 43679.65384 36520.07146 46265.58216 41769.57714 51949.75662 41325.4643 45321.44142 45423.76014 45641.90077 53360.65072 49617.13154 46230.91711 53302.61534 36614.94495 47371.55679 42464.2184 52135.08225 48050.57205 47247.66252 45009.77287 53147.07274 41175.41146 43668.98766 49019.57492 47573.24999 28724.03456 50193.19675 49834.22316 47222.6384 46406.14819 51042.23884 41662.10964 34072.70591 50337.36225 51610.65157 59520.48964 54330.76214 41918.59295 30026.55249 45243.98878 55215.92072 39410.94089 43460.7195 42052.49496 49303.54986 40191.00389 47462.01657 44715.38764 46227.14836 39311.38933 50439.5483 50860.67854 44087.30802 302.9222822 308.8170073 309.0831999 277.6505996 280.2288539 298.7077373 New_HexCer(d44:2-OH)>HexCer(d18:1/26:1-OH) 849227.6277 972162.0708 952134.5254 983332.8324 839765.8041 1202466.371 1295750.645 1417236.819 1141101.355 969697.0872 976580.7139 943530.7217 1161398.798 1098184.959 1029903.576 979250.5768 1036540.613 1028498.53 1239981.429 1294805.251 968815.5521 1231642.474 889478.9945 1049696.953 377224.5093 1064422.002 1033262.413 1161579.191 994276.2469 1217578.641 948473.5733 933152.2717 1387795.75 904867.2566 871864.755 1154560.17 989073.2868 1064876.473 1077554.402 1207667.163 860418.3245 1105767.278 913569.1222 997329.7312 1212493.168 1181706.388 923877.0898 848905.9912 918735.8721 549864.4394 1536634.889 1555695.933 1455111.318 1101813.557 1071287.902 1039715.272 1011353.592 996625.5748 932138.996 983218.95 953745.9149 459997.0544 496.0936799 542.1922138 535.1481387 526.8516844 539.2074959 566.4209178 New_HexCer(d44:1-OH)>HexCer(d18:1/26:0) 367804.5592 381916.2474 348422.0147 359990.7885 327142.1769 497300.127 492911.6979 520643.2153 435932.232 367692.1537 392396.5279 366466.467 466527.8923 421393.598 407514.2396 383162.4427 395912.9961 384235.7486 498678.8982 521222.0267 428349.2317 483210.7696 313635.502 399556.659 371618.6079 383835.0822 374925.9336 465185.5079 386807.2281 514383.0354 463186.2669 335272.6423 610229.9497 347745.0877 302305.9659 407921.3803 390942.7287 409225.4518 426310.7726 439273.075 337595.216 472698.9868 333199.8242 410759.5527 460028.4645 440105.4249 426011.1357 313566.9176 383345.0629 520496.8623 536779.6963 625173.0703 569726.2572 412158.3915 419322.6771 424489.7741 435055.1014 436750.4452 468116.1446 469836.9129 461763.8918 476751.0074 547.2090065 643.2903497 609.0543326 564.9400043 557.3013253 563.7243074 New_HexCer(d42:0-OH)_M+H2CO2 9350.596741 9722.433218 9179.430726 9085.989043 9962.849253 11845.74327 12481.02912 18048.07571 12627.9312 10186.31061 10207.70609 9590.360504 9952.074966 10321.45153 11710.3397 10681.0958 9545.137115 8284.00835 12978.78781 14648.17644 12361.8893 13550.65244 6951.645133 12332.50585 11719.70105 10172.44338 8950.94104 13788.9561 11420.58607 13200.85482 12711.95922 8290.646013 16281.3612 8845.783683 9794.410285 12012.86277 8852.770186 10989.14009 10659.69114 13224.39528 8895.072527 10830.21032 8969.489285 10071.07863 11200.49575 11174.89453 11128.04183 7216.083089 10489.8371 11534.70971 13038.5396 12126.10259 12601.78848 10537.0154 12264.09706 10161.98185 13269.35928 10729.00488 13468.40917 15389.64219 15857.5003 15880.58786 95.32457191 103.1851652 105.3343907 101.869317 108.3259189 109.6768558 New_HexCer(d40:2)_M+H2CO2 22216.48507 20585.10361 24165.50566 21106.08347 19717.51186 26963.01086 40248.02895 43709.2391 30738.48928 26479.51181 24071.81386 21956.73157 27236.09403 24620.8293 25997.53948 21349.72842 26105.41148 24378.59584 34426.7164 32344.25679 26865.53065 32739.79781 18171.96429 24832.3864 26610.56746 26754.68879 25579.16662 31441.61698 23430.56113 33616.58479 25815.74715 22150.59635 36984.20286 21145.77207 17007.20231 34571.72662 23493.19884 26281.70343 28789.79675 31700.80863 17829.51505 23007.47082 18644.29122 23731.38226 32951.68089 30777.32117 27872.72654 17215.32781 20478.20759 53231.7664 50610.01976 49658.16938 45622.25364 24566.78335 26479.56879 25619.96148 25817.82672 24945.65229 27988.32764 28631.98698 30686.85445 30775.23718 195.3298748 195.4248824 201.3285925 189.8077326 184.614226 194.4653655 New_HexCer(d40:1-OH)>HexCer(d18:1/22:0-OH)_M+H2CO2_feature1 530268.8146 569737.8416 561031.0697 560857.4276 476537.1226 699362.5424 662513.2845 673133.1288 668614.8466 584910.1134 562060.6175 586046.3952 655423.8531 599378.1025 584356.5117 574978.6343 597688.1093 592295.037 627086.2444 682179.382 553377.517 606167.971 502827.5211 576548.6005 547728.4544 572002.1939 542033.9524 588251.6672 559495.5209 593022.2314 570589.2684 522413.1393 660325.232 467778.6967 502438.1691 567046.3253 551756.782 552203.8333 557257.4841 610138.9157 495431.798 735647.8212 31320.83615 550314.7575 575903.253 552527.4951 546965.8834 473061.5194 523237.6693 607739.0395 771115.079 935051.9813 779849.2515 559516.8673 557531.1247 556332.1379 563292.0391 518954.6132 485601.6236 427801.9506 447168.8153 418608.149 232.6201802 333.9838471 226.3795869 210.7480859 284.3188516 319.3415534 New_HexCer(d40:1-OH)>HexCer(d18:1/22:0-OH)_M+H2CO2_feature2 301914.3771 275309.7079 326038.08 276166.709 284884.7336 237381.8191 274721.9473 262143.5136 340510.109 345837.7335 310188.7928 159613.1538 333337.2535 210783.6745 313591.3229 362868.6527 341368.2537 227815.2365 322933.6329 388420.1068 221058.6038 228156.6626 274013.1365 217286.2487 351107.4229 238496.7614 354732.4405 272207.3067 297597.1663 336382.3526 362359.1324 365290.4927 239624.5605 292506.1066 292814.0063 311360.3218 324332.0407 337291.0952 224617.0336 251910.4026 171802.9954 324360.609 145785.3073 293777.7364 236297.6961 247566.9997 319643.1579 215401.1019 294253.6781 265465.1221 238480.2574 285488.2463 148724.3609 310104.1692 294134.6009 269697.1858 271841.4314 198189.6304 223862.2542 168025.0308 149264.2339 134425.1745 172.9407418 453.8310032 296.8671927 172.835811 523.653381 201.7862782 New_HexCer(d40:1-OH) 160288.8043 158470.1428 252004.91 156219.4462 185473.3564 210385.3159 240581.9033 259927.5536 245124.5813 153071.5912 273490.6899 173443.8506 194118.0066 234991.4758 254341.8448 197645.3133 218925.1538 230198.3958 280324.2539 258834.9557 237236.4061 354773.1497 176147.5372 244064.5808 159362.0658 260961.0705 146520.275 306737.9875 280068.7072 306591.7249 169917.0939 208169.9433 366524.5033 214397.4603 267854.1476 195773.4335 217760.1965 257606.1397 268955.4555 209376.0422 229184.2845 331335.7287 197902.5092 127281.0791 308275.397 197279.1891 265575.4551 179541.8991 249471.2728 229852.7402 231043.4433 425860.9994 385623.2525 279940.7919 168325.6075 174405.0926 269984.8822 261415.6478 255986.1033 266692.1862 274881.6943 275651.7426 390.0158504 616.7351602 461.1519032 456.4551737 486.1732979 506.3708403 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))_M+H2CO2_feature1 C42 H74 D9 N2 O8 P 782.6376966 783.6461 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_[iSTD] 4.31 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_feature1 C39 H68 D7 O10 P 740.5464966 741.5549 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[iSTD] 4.31 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(18:1(d7))>PE(0:0/18:1(9z,d7))_feature1 C23 H39 D7 N O7 P 485.3369966 486.3454 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(18:1(d7))>PE(0:0/18:1(9z,d7))_[iSTD] 2.16 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_M+H2CO2_feature1 C42 H75 D7 N O10 P 797.6044066 798.6128 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[iSTD] 4.68 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_and_PC(18:1(d7))>PC(0:0/18:1(9z,d7))_M+H2CO2_feature1 C27 H47 D7 N O9 P 573.3897366 574.3981 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_and_PC(18:1(d7))>PC(0:0/18:1(9z,d7))_[iSTD] 2.12 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_feature1 C38 H67 D7 N O8 P 709.5515566 710.5599 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[iSTD] 4.93 Sulfatide(d44:2)_feature1 C50 H95 N O11 S 916.6547266 917.6631 Sulfatide(d44:2) 6.65 Sulfatide(d44:1)_feature1 C50 H97 N O11 S 918.6710366 919.6794 Sulfatide(d44:1) 6.93 Sulfatide(d43:2)_feature1 C49 H93 N O11 S 902.6402666 903.6486 Sulfatide(d43:2) 6.43 Sulfatide(d43:1)_feature1 C49 H95 N O11 S 904.6553466 905.6637 Sulfatide(d43:1) 6.82 Sulfatide(d42:2-OH)_feature1 C48 H91 N O12 S 904.6191766 905.6276 Sulfatide(d42:2-OH) 5.89 Sulfatide(d42:2)_feature1 C48 H91 N O11 S 888.6242266 889.6326 Sulfatide(d42:2) 6.06 Sulfatide(d42:1-OH)_feature1 C48 H93 N O12 S 906.6348266 907.6432 Sulfatide(d42:1-OH) 6.63 Sulfatide(d42:1)_feature1 C48 H93 N O11 S 890.6399066 891.6483 Sulfatide(d42:1) 6.34 Sulfatide(d41:1-OH)_feature1 C47 H91 N O12 S 892.6191966 893.6276 Sulfatide(d41:1-OH) 6.39 Sulfatide(d41:1)_feature1 C47 H91 N O11 S 876.6236766 877.6321 Sulfatide(d41:1) 6.51 Sulfatide(d40:2)_feature1 C46 H87 N O11 S 860.5923266 861.6007 Sulfatide(d40:2) 5.22 Sulfatide(d40:1-OH)_feature1 C46 H89 N O12 S 878.6025066 879.6109 Sulfatide(d40:1-OH) 5.97 Sulfatide(d38:1)_feature1 C44 H85 N O11 S 834.5760866 835.5845 Sulfatide(d38:1) 5.27 Sulfatide(d36:1)_feature1 C42 H81 N O11 S 806.5450266 807.5534 Sulfatide(d36:1) 4.41 Sulfatide(d34:1)_feature1 C40 H77 N O11 S 778.5145466 779.5229 Sulfatide(d34:1) 3.72 SM(d44:2)_feature1 C50 H99 N2 O8 P 885.7067866 886.7152 SM(d44:2)_ln_a 6.95 SM(d43:1)_feature1and2 C49 H99 N2 O8 P 873.7075466 874.7159 SM(d43:1)_ln_ab 7.15 SM(d42:3)_feature1 C48 H93 N2 O8 P 855.6591166 856.6675 SM(d42:3)_ln_a 6.15 SM(d42:2)_M+H2CO2_feature1and2 C48 H95 N2 O8 P 857.6760866 858.6845 SM(d42:2)_ln_ab 6.67 SM(d42:1)_M+H2CO2_feature2 C48 H97 N2 O8 P 859.6911466 860.6995 SM(d42:1)_ln_b 7.01 SM(d40:2)_M+H2CO2_feature1 C46 H91 N2 O8 P 829.6436366 830.652 SM(d40:2)_ln_a 6 SM(d40:2)_M+H2CO2_feature2 C46 H91 N2 O8 P 829.6439866 830.6524 SM(d40:2)_ln_b 6.26 SM(d40:1)_M+H2CO2_feature2 C46 H93 N2 O8 P 831.6600766 832.6685 SM(d40:1)_ln_b 6.71 SM(d40:0-OH)_M+H2CO2_feature1 C46 H95 N2 O9 P 849.6701366 850.6785 SM(d40:0-OH) 6.48 SM(d38:1)_M+H2CO2_feature2 C44 H89 N2 O8 P 803.6287166 804.6371 SM(d38:1)_ln_b 6.04 SM(d36:2)_M+H2CO2_feature1 C42 H83 N2 O8 P 773.5809466 774.5893 SM(d36:2) 4.38 SM(d36:1)_M+H2CO2_feature1 C42 H85 N2 O8 P 775.5973166 776.6057 SM(d36:1) 5.08 SM(d36:0)_M+H2CO2_feature1 C42 H87 N2 O8 P 777.6123466 778.6207 SM(d36:0) 5.44 SM(d34:1)_M+H2CO2_feature1 C40 H81 N2 O8 P 747.5659366 748.5743 SM(d34:1) 4.24 PS(O-42:7)>PS(O-20:3/22:4)_feature1 C48 H82 N O9 P 846.5629366 847.5713 PS(O-20:3/22:4) 6.5 PS(O-40:7)>PS(O-20:3/20:4)_feature2 C46 H78 N O9 P 818.5313766 819.5398 PS(O-20:3/20:4)_ln_b 5.97 PS(O-40:7)>PS(O-18:3/22:4)_feature1 C46 H78 N O9 P 818.5313966 819.5398 PS(O-18:3/22:4) 5.65 PS(O-40:6)>PS(O-18:2/22:4)_feature1 C46 H80 N O9 P 820.5474566 821.5558 PS(O-18:2/22:4) 5.82 PS(O-40:5)>PS(O-20:4/20:1)_feature1 C46 H82 N O9 P 822.5628866 823.5713 PS(O-20:4/20:1) 6.6 PS(O-40:4)>PS(O-20:3/20:1)_feature1 C46 H84 N O9 P 824.5790466 825.5874 PS(O-20:3/20:1) 6.91 PS(44:12)>PS(22:6/22:6)_feature1 C50 H74 N O10 P 878.4981066 879.5065 PS(22:6/22:6) 3.21 PS(44:10)>PS(22:4_22:6)_feature1 C50 H78 N O10 P 882.5296866 883.5381 PS(22:4_22:6) 3.72 PS(40:6)>PS(18:0_22:6)_feature3 C46 H78 N O10 P 834.5304866 835.5389 PS(18:0_22:6)_ln_c 4.55 PS(40:5)>PS(18:0_22:5)_feature5 C46 H80 N O10 P 836.5434966 837.5519 PS(18:0_22:5)_ln_e 5.11 PS(40:4)>PS(18:0_22:4)_feature1 C46 H82 N O10 P 838.5604666 839.5688 PS(18:0_22:4) 5.36 PS(38:5)>PS(18:1_20:4)_feature1 C44 H76 N O10 P 808.5137066 809.5221 PS(18:1_20:4) 4.03 PS(38:4)>PS(18:0_20:4)_feature2 C44 H78 N O10 P 810.5283666 811.5367 PS(18:0_20:4)_ln_b 4.77 PS(38:4)>PS(18:0_20:4)_feature6 C44 H78 N O10 P 810.5261066 811.5345 PS(18:0_20:4)_ln_f 5.58 PS(38:2)>PS(20:1_18:1)_feature1 C44 H82 N O10 P 814.5593766 815.5678 PS(38:2) 5.54 PS(36:2)>PS(18:1_18:1)_feature2 C42 H78 N O10 P 786.5281866 787.5366 PS(36:2)_ln_b 4.75 PS(36:1)>PS(18:0_18:1)_feature1 C42 H80 N O10 P 788.5446666 789.553 PS(18:0_18:1) 5.56 PS(34:1)>PS(16:0_18:1)_feature1 C40 H76 N O10 P 760.5129466 761.5213 PS(34:1)>PS(16:0_18:1) 4.65 PS(34:0)>PS(16:0_18:0) 2M -2H + 2Na_feature1 C80 H154 N2 Na2 O20 P2 784.5107666 785.5191 PS(34:0)>PS(16:0_18:0) 5.41 PI(38:5)>PI(18:1_20:4)_feature1 C47 H81 O13 P 883.5348066 884.5432 PI(18:1_20:4)_ln_a 3.95 PI(38:4)>PI(18:0_20:4)_feature3 C47 H83 O13 P 885.5505366 886.5589 PI(18:0_20:4)_ln_c 4.75 PI(38:4)>PI(18:0_20:4)_feature2 C47 H83 O13 P 885.5503866 886.5588 PI(18:0_20:4)_ln_b 4.66 PI(36:4)>PI(16:0_20:4)_feature1 C45 H79 O13 P 857.5192866 858.5277 PI(16:0_20:4) 3.9 PG(44:12)>PG(22:6/22:6)_feature1 C50 H75 O10 P 865.5035266 866.5119 PG(22:6/22:6) 3.01 PG(42:10)>PG(20:4_22:6)_feature1 C48 H75 O10 P 841.5030966 842.5115 PG(42:10)>PG(20:4_22:6) 3.1 PG(38:4)>PG(18:0_20:4)_feature1 C44 H79 O10 P 797.5332766 798.5417 PG(38:4)>PG(18:0_20:4) 4.82 PG(36:4)>PG(16:0_20:4)_feature3 C42 H75 O10 P 769.5026266 770.511 PG(36:4)>PG(16:0_20:4) 4.05 PG(32:0)>PG(16:0/16:0)_feature1 C38 H75 O10 P 721.5019066 722.5103 PG(32:0)>PG(16:0/16:0) 4.65 PE(O-44:6)>PE(O-18:2/24:4)_feature1 C47 H84 N O7 P 804.5914166 805.5998 PE(O-44:6)>PE(O-18:2/24:4) 6.38 PE(O-42:7)>PE(O-18:1/24:6)_feature2 C47 H82 N O7 P 802.5759166 803.5843 PE(O-42:7)_ln_b 6.25 PE(O-42:6)>PE(O-18:1/24:5)_feature2 C47 H84 N O7 P 804.5915166 805.5999 PE(O-42:6)_ln_b 6.64 PE(O-42:5)>PE(O-20:1/22:4)_feature2 C47 H86 N O7 P 806.6075466 807.6159 PE(O-20:1/22:4)_ln_b 6.79 PE(O-42:3)>PE(O-18:2/24:1)_feature1 C47 H90 N O7 P 810.6388766 811.6473 PE(O-42:3)>PE(O-18:2/24:1) 7.16 PE(O-41:3)>PE(O-18:2/23:1)_feature1 C46 H88 N O7 P 796.6224666 797.6308 PE(O-41:3)>PE(O-18:2/23:1) 7.03 PE(O-40:8)>PE(O-22:8/18:0)_and_PE(O-18:2/22:6)_feature2 C45 H76 N O7 P 772.5286766 773.5371 PE(O-40:8)_ln_b 4.81 PE(O-40:7)>PE(O-18:2/22:5)_feature4 C45 H78 N O7 P 774.5454366 775.5538 PE(O-40:7)_ln_d 5.12 PE(O-40:7)>PE(O-18:1/22:6)_and_PE(O-22:7/18:0)_feature3 C45 H78 N O7 P 774.5455666 775.5539 PE(O-40:7)_ln_c 4.96 PE(O-40:7)>PE(O-18:1/22:6)_and_PE(O-22:7/18:0)_feature10 C45 H78 N O7 P 774.5455166 775.5539 PE(O-40:7)_ln_j 5.72 PE(O-40:6)>PE(O-18:2/22:4)_feature2 C45 H80 N O7 P 776.5586266 777.567 PE(O-40:6)_ln_b 5.67 PE(O-40:6)>PE(O-18:2/22:4)_feature3 C45 H80 N O7 P 776.5593266 777.5677 PE(O-40:6)_ln_c 5.9 PE(O-40:6)>PE(O-18:1/22:5)_feature5 C45 H80 N O7 P 776.5582866 777.5667 PE(O-18:1/22:5)_ln_e 6.29 PE(O-40:5)>PE(O-18:1/22:4)_feature1 C45 H82 N O7 P 778.5761366 779.5845 PE(O-18:1/22:4)_ln_a 5.84 PE(O-40:5)>PE(O-18:1/22:4)_feature4 C45 H82 N O7 P 778.5769566 779.5853 PE(O-18:1/22:4)_ln_d 6.5 PE(O-40:4)>PE(O-18:0/22:4)_feature4 C45 H84 N O7 P 780.5913866 781.5998 PE(O-18:0/22:4)_ln_d 6.59 PE(O-40:2)>PE(O-18:1/22:1)_feature2 C45 H88 N O7 P 784.6228566 785.6312 PE(O-18:1/22:1)_ln_b 6.94 PE(O-40:2)>PE(O-18:1/22:1)_feature1 C45 H88 N O7 P 784.6231766 785.6316 PE(O-40:2)>PE(O-18:1/22:1) 7.17 PE(O-39:7)>PE(O-21:7/18:0)_and_PE(O-17:1/22:6)_feature2 C44 H76 N O7 P 760.5281266 761.5365 PE(O-39:7)_ln_b 5.23 PE(O-39:5)_feature3 C44 H80 N O7 P 764.5595066 765.5679 PE(O-39:5)_ln_c 6.13 PE(O-39:3)>PE(O-18:2/21:1)_and_PE(O-19:2/20:1)_feature2 C44 H84 N O7 P 768.5910666 769.5994 PE(O-39:3)_ln_b 6.77 PE(O-38:7)>PE(O-18:3/20:4)_feature1 C43 H74 N O7 P 746.5137466 747.5221 PE(O-38:7)_ln_a 4.42 PE(O-38:7)>PE(O-16:1/22:6)_and_PE(O-20:7/18:0)_feature2 C43 H74 N O7 P 746.5137066 747.5221 PE(O-38:7)_ln_b 4.78 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature2 C43 H76 N O7 P 748.5286666 749.537 PE(O-38:6)_ln_b 5.07 PE(O-38:6)>PE(O-16:1/22:5)_feature3 C43 H76 N O7 P 748.5286666 749.537 PE(O-16:1/22:5)_ln_c 5.36 PE(O-38:5)>PE(O-18:2/20:3)_feature4 C43 H78 N O7 P 750.5448066 751.5532 PE(O-38:5)_ln_d 5.44 PE(O-38:5)>PE(O-18:1/20:4)_feature3 C43 H78 N O7 P 750.5447866 751.5532 PE(O-18:1/20:4)_ln_c 5.2 PE(O-38:5)>PE(O-18:1/20:4)_feature6 C43 H78 N O7 P 750.5447766 751.5532 PE(O-18:1/20:4)_ln_f 5.97 PE(O-38:5)>PE(O-16:1/22:4)_feature5 C43 H78 N O7 P 750.5447766 751.5532 PE(O-16:1/22:4)_ln_e 5.66 PE(O-38:4)_feature5 C43 H80 N O7 P 752.5596866 753.5681 PE(O-38:4)_ln_e 6.33 PE(O-38:4)>PE(O-18:0/20:4)_and_PE(O-18:2/20:2)_feature4 C43 H80 N O7 P 752.5596866 753.5681 PE(O-38:4)_ln_d 6.14 PE(O-38:4)>PE(O-16:0/22:4)_feature1 C43 H80 N O7 P 752.5603366 753.5687 PE(O-16:0/22:4)_ln_a 5.82 PE(O-38:3)>PE(O-18:2/20:1)_feature2 C43 H82 N O7 P 754.5762066 755.5846 PE(O-18:2/20:1)_ln_b 6.61 PE(O-38:2)>PE(O-18:1/20:1)_feature4 C43 H84 N O7 P 756.5922166 757.6006 PE(O-38:2)_ln_d 6.91 PE(O-38:2)>PE(O-18:1/20:1)_feature2 C43 H84 N O7 P 756.5922266 757.6006 PE(O-38:2)_ln_b 6.66 PE(O-37:3)>PE(O-18:2/19:1)_and_PE(O-19:2/18:1)_feature1 C42 H80 N O7 P 740.5600466 741.5684 PE(O-37:3) 6.34 PE(O-37:2)>PE(O-18:1/19:1)_and_PE(O-17:1/20:1)_feature1 C42 H82 N O7 P 742.5755266 743.5839 PE(O-37:2) 6.78 PE(O-36:5)>PE(O-16:1/20:4)_feature3 C41 H74 N O7 P 722.5133866 723.5218 PE(O-16:1/20:4)_ln_c 5.02 PE(O-36:4)>PE(O-18:3/18:1)_feature6 C41 H80 N O7 P 728.5608966 729.5693 PE(O-18:3/18:1)_ln_f 6.63 PE(O-36:4)>PE(O-16:1/20:3)_feature3 C41 H76 N O7 P 724.5281666 725.5365 PE(O-36:4)_ln_c 5.69 PE(O-36:4)>PE(O-16:1/20:3)_feature2 C41 H76 N O7 P 724.5281266 725.5365 PE(O-36:4)_ln_b 5.4 PE(O-36:4)>PE(O-16:0/20:4)_feature1 C41 H76 N O7 P 724.5281366 725.5365 PE(O-36:4)_ln_a 5.18 PE(O-36:3)>PE(O-18:2/18:1)_feature4 C41 H82 N O7 P 726.5449766 727.5534 PE(O-18:2/18:1)_ln_d 5.94 PE(O-35:3)>PE(O-18:2/17:1)_and_PE(O-17:2/18:1)_feature1 C40 H76 N O7 P 712.5277166 713.5361 PE(O-35:3) 5.51 PE(O-35:2)>PE(O-16:1/19:1)_and_PE(O-17:1/18:1)_feature3 C40 H78 N O7 P 714.5443066 715.5527 PE(O-35:2)_ln_c 6.35 PE(O-34:5)>PE(O-17:1/20:4)_feature2 C42 H76 N O7 P 736.5281766 737.5366 PE(O-34:5)_ln_b 5.48 PE(O-34:3)>PE(O-16:1/18:2)_feature1 C39 H74 N O7 P 698.5119966 699.5204 PE(O-34:3) 5.06 PE(O-34:2)>PE(O-16:2/18:0)_and_PE(O-18:2/16:0)_feature1 C39 H76 N O7 P 700.5291466 701.5375 PE(O-34:2)_ln_b 5.9 PE(O-34:2)>PE(O-16:2/18:0)_and_PE(O-34:2)>PE(O-18:2/16:0)_feature1 C39 H76 N O7 P 700.5285666 701.5369 PE(O-34:2)_ln_a 5.82 PE(O-34:1)>PE(O-18:1/16:0)_feature2 C39 H78 N O7 P 702.5441466 703.5525 PE(O-18:1/16:0)_ln_b 6.61 PE(O-34:1)>PE(O-18:1_16:0)_feature1 C39 H78 N O7 P 702.5439266 703.5523 PE(O-34:1)_ln_a 6.05 PE(O-32:2)>PE(O-16:1/16:1)_feature1 C37 H72 N O7 P 672.4966766 673.5051 PE(O-16:1/16:1) 5 PE(O-32:1)>PE(O-16:1/16:0)_feature1 C37 H74 N O7 P 674.5125666 675.5209 PE(O-16:1/16:0) 5.84 PE(44:12)>PE(22:6/22:6)_feature1 C49 H74 N O8 P 834.5084866 835.5169 PE(22:6/22:6) 3.6 PE(44:10)>PE(22:4_22:6)_feature2 C49 H78 N O8 P 838.5392566 839.5476 PE(22:4_22:6)_ln_b 4.25 PE(42:8)>PE(20:4_22:4)_feature2 C47 H78 N O8 P 814.5386566 815.547 PE(20:4_22:4)_ln_b 4.44 PE(42:5)>PE(22:1_20:4)_feature1 C47 H84 N O8 P 820.5861166 821.5945 PE(20:4_22:4) 6.37 PE(42:10)>PE(20:4_22:6)_feature1 C47 H74 N O8 P 810.5082866 811.5167 PE(20:4_22:6) 3.75 PE(40:8)>PE(18:2_22:6)_feature1 C45 H74 N O8 P 786.5081066 787.5165 PE(18:2_22:6) 3.9 PE(40:7)>PE(18:1_22:6)_and_PE(18:0_22:7)_feature3 C45 H76 N O8 P 788.5236166 789.532 PE(40:7)_ln_c 4.44 PE(40:6)>PE(18:0_22:6)_feature2 C45 H78 N O8 P 790.5402766 791.5487 PE(18:0_22:6)_ln_b 5.28 PE(40:5)>PE(18:0_22:5)_feature4 C45 H80 N O8 P 792.5551766 793.5636 PE(18:0_22:5)_ln_d 5.86 PE(40:4)>PE(18:0_22:4)_feature4 C45 H82 N O8 P 794.5715266 795.5799 PE(18:0_22:4)_ln_d 6.41 PE(40:4)>PE(18:0_22:4)_feature2 C45 H82 N O8 P 794.5715266 795.5799 PE(18:0_22:4)_ln_b 6.13 PE(40:2)>PE(18:1_22:1)_feature1 C45 H86 N O8 P 798.6017666 799.6101 PE(18:1_22:1) 6.76 PE(40:1)>PE(18:1_22:0)_feature1 C45 H88 N O8 P 800.6175266 801.6259 PE(18:1_22:0) 7.05 PE(39:6)>PE(17:0_22:6)_feature2 C44 H76 N O8 P 776.5223566 777.5307 PE(17:0_22:6)_ln_b 4.81 PE(38:7)>PE(16:1_22:6)_feature1 C43 H72 N O8 P 760.4923566 761.5007 PE(16:1_22:6) 3.76 PE(38:6)>PE(18:2_20:4)_feature2 C43 H74 N O8 P 762.5084566 763.5168 PE(18:2_20:4)_ln_b 4.06 PE(38:6)>PE(16:0_22:6)_feature3 C43 H74 N O8 P 762.5084266 763.5168 PE(16:0_22:6)_ln_c 4.39 PE(38:5)>PE(16:0_22:5)_and_PE(18:1_20:4)_feature5 C43 H76 N O8 P 764.5241666 765.5325 PE(38:5)_ln_f 4.92 PE(38:4)>PE(18:0_20:4)_feature5 C43 H78 N O8 P 766.5401866 767.5486 PE(18:0_20:4)_ln_e 5.51 PE(38:4)>PE(16:0_22:4)_feature4 C43 H78 N O8 P 766.5402366 767.5486 PE(16:0_22:4)_ln_d 5.2 PE(38:3)>PE(18:0_20:3)_feature4 C43 H80 N O8 P 768.5543166 769.5627 PE(18:0_20:3)_ln_d 6.17 PE(38:1)>PE(18:1_20:0)_and_PE(18:0_20:1)_feature2 C43 H84 N O8 P 772.5861866 773.5946 PE(38:1) 6.76 PE(37:4)>PE(17:0_20:4)_feature2 C42 H76 N O8 P 752.5227766 753.5312 PE(17:0_20:4)_ln_b 5.05 PE(36:5)>PE(16:1_20:4)_feature2 C41 H72 N O8 P 736.4923366 737.5007 PE(16:1_20:4)_ln_b 3.92 PE(36:4)>(16:0_20:4)_feature3 C41 H74 N O8 P 738.5084966 739.5169 PE(16:0_20:4)_ln_c 4.6 PE(36:3)>PE(18:1_18:2)_feature1 C41 H76 N O8 P 740.5229966 741.5314 PE(18:1_18:2)_ln_a 4.78 PE(36:3)>PE(16:0_20:3)_and_PE(36:3)>PE(18:1_18:2)_feature2 C41 H76 N O8 P 1482.054027 1483.0624 PE(36:3)_ln_b 4.94 PE(36:2)>PE(18:1/18:1)_feature2 C41 H78 N O8 P 742.5398566 743.5482 PE(18:1/18:1)_ln_b 5.46 PE(36:1)>PE(18:0_18:1)_feature1 C41 H80 N O8 P 744.5541366 745.5625 PE(18:0_18:1)_ln_a 5.14 PE(36:1)>PE(18:0_18:1)_feature3 C41 H80 N O8 P 744.5561266 745.5645 PE(18:0_18:1)_ln_c 6.33 PE(35:1)>PE(17:0_18:1)_feature1 C40 H78 N O8 P 730.5384566 731.5468 PE(17:0_18:1) 5.89 PE(34:2)>PE(16:0_18:2)_feature2 C39 H74 N O8 P 714.5070266 715.5154 PE(16:0_18:2)_ln_b 4.76 PE(34:1)>PE(16:0_18:1)_feature1 C39 H76 N O8 P 716.5242866 717.5327 PE(16:0_18:1)_ln_a 5.41 PE(34:0)>PE(16:0_18:0)_feature2 C39 H78 N O8 P 718.5394066 719.5478 PE(34:0)_ln_b 6.27 PE(34:0)>PE(16:0_18:0)_feature1 C39 H78 N O8 P 718.5383766 719.5468 PE(34:0)_ln_a 5.06 PE(32:1)>PE(16:0_16:1)_feature1 C37 H72 N O8 P 688.4913966 689.4998 PE(16:0_16:1) 4.56 PE(32:0)>PE(16:0/16:0)_feature1 C37 H74 N O8 P 690.5071566 691.5155 PE(16:0_16:0) 5.34 PC(O-36:5)>PC(O-16:1/20:4)_M+H2CO2_feature5 C45 H82 N O9 P 810.5642166 811.5726 PC(O-36:5)_ln_e 4.75 PC(O-36:1)>PC(O-18:1/18:0)_and_PC(O-16:0/20:1)_M+H2CO2_feature3 C45 H90 N O9 P 818.6283766 819.6368 PC(O-36:1)_ln_c 6.57 PC(O-36:2)_M+H2CO2_feature3 C45 H88 N O9 P 816.6126266 817.621 PC(O-36:2)_ln_c 6.47 PC(O-36:2))_M+H2CO2_feature2 C45 H88 N O9 P 816.6121466 817.6205 PC(O-36:2)_ln_b 5.78 PC(O-34:1)>PC(O-18:1/16:0)_M+H2CO2_feature2 C43 H86 N O9 P 790.5965866 791.605 PC(O-18:1/16:0)_ln_b 5.76 PC(O-34:1)>PC(O-18:1/16:0)_M+H2CO2_feature4 C43 H86 N O9 P 790.5965266 791.6049 PC(O-34:1)_ln_d 6.45 PC(O-32:1)>PC(O-16:1/16:0)_M+H2CO2_feature2 C41 H82 N O9 P 762.5653666 763.5737 PC(O-32:1)_ln_b 5.55 PC(44:2)>PC(18:1_26:1)_M+H2CO2_feature1 C53 H102 N O10 P 942.7176066 943.726 PC(44:2) 7.23 PC(43:1)>PC(18:1_25:0)_M+H2CO2_feature1 C52 H102 N O10 P 930.7179466 931.7263 PC(43:1) 7.44 PC(42:4)>PC(18:0_22:4)_M+H2CO2_feature2 C51 H94 N O10 P 910.6539766 911.6624 PC(42:4)_ln_b 6.5 PC(42:10)>PC(20:4_22:6) _M+H2CO2_feature1 C51 H82 N O10 P 898.5609066 899.5693 PC(20:4_22:6) 3.6 PC(42:1)>PC(18:1/24:0)_M+H2CO2_feature2 C51 H100 N O10 P 916.7026366 917.711 PC(42:1)_ln_b 7.28 PC(41:2)>PC(18:1_23:1)_M+H2CO2_feature2 C50 H96 N O10 P 900.6699766 901.6784 PC(41:2)_ln_b 6.82 PC(41:1)>PC(18:1_23:0)_M+H2CO2_feature1 C50 H98 N O10 P 902.6862566 903.6946 PC(18:1_23:0) 7.14 PC(40:6)>PC(18:0_22:6) _M+H2CO2_feature3 C49 H86 N O10 P 878.5920466 879.6004 PC(18:0_22:6)_ln_c 5.01 PC(40:5)>PC(18:0_22:5) _M+H2CO2_feature4 C49 H88 N O10 P 880.6071366 881.6155 PC(18:0_22:5)_ln_d 5.6 PC(40:4)>PC(18:0_22:4)_M+H2CO2_feature2 C49 H90 N O10 P 882.6229066 883.6313 PC(18:0_22:4)_ln_b 5.88 PC(38:6)>PC(18:2_20:4)_M+H2CO2_feature1 C47 H82 N O10 P 850.5617266 851.5701 PC(18:2_20:4)_ln_a 3.89 PC(38:6)>PC(16:0_22:6)_and_PC(18:0_20:6)_M+H2CO2_feature2 C47 H82 N O10 P 850.5617166 851.5701 PC(38:6)_ln_b 4.19 PC(38:5)>PC(16:0_22:5)_and_PC(18:1_20:4)_M+H2CO2_feature4 C47 H84 N O10 P 852.5759566 853.5843 PC(38:5)_ln_d 4.43 PC(38:4)>PC(18:0_20:4)_M+H2CO2_feature4 C47 H86 N O10 P 854.5922266 855.6006 PC(18:0_20:4)_ln_d 5.24 PC(38:3)>PC(18:0_20:3)_M+H2CO2_feature3 C47 H88 N O10 P 856.6071466 857.6155 PC(18:0_20:3)_ln_c 5.62 PC(38:2)>PC(18:1_20:1)_M+H2CO2_feature2 C47 H90 N O10 P 858.6223466 859.6307 PC(38:2)_ln_b 6.05 PC(36:5)>PC(16:1_20:4)_M+H2CO2_feature2 C45 H80 N O10 P 824.5451166 825.5535 PC(16:1_20:4)_ln_b 3.76 PC(36:4)>PC(16:0_20:4)_M+H2CO2_feature3 C45 H82 N O10 P 826.5612666 827.5696 PC(16:0_20:4)_ln_c 4.37 PC(36:3)>PC(16:0_20:3)_M+H2CO2_feature5 C45 H84 N O10 P 828.5759166 829.5843 PC(16:0_20:3)_ln_e 4.97 PC(36:2)>PC(18:1/18:1)_M+H2CO2_feature2 C45 H86 N O10 P 830.5917966 831.6002 PC(18:1/18:1)_ln_b 5.2 PC(36:1)>PC(16:0_20:1)_and_PC(18:0_18:1)_M+H2CO2_feature1 C45 H88 N O10 P 832.6088366 833.6172 PC(36:1)_ln_a 6.09 PC(36:0)>PC(18:0/18:0)_M+H2CO2_feature3 C45 H90 N O10 P 834.6235966 835.632 PC(18:0/18:0)_ln_c 6.71 PC(35:1)>PC(17:0_18:1) M+ H2CO2_feature1 C44 H86 N O10 P 818.5916566 819.6 PC(17:0_18:1)_ln_a 5.62 PC(34:2)>PC(16:0_18:2)_M+H2CO2_feature1 C43 H82 N O10 P 802.5607466 803.5691 PC(16:0_18:2)_ln_a 4.5 PC(34:1)>PC(16:0_18:1)_M+H2CO2_feature2 C43 H84 N O10 P 804.5770466 805.5854 PC(16:0_18:1)_ln_b 5.14 PC(34:0)>PC(16:0_18:0) M+ H2CO2_feature3 C43 H86 N O10 P 806.5924366 807.6008 PC(16:0/18:0)_ln_c 6.01 PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1) M+ H2CO2_feature1 C41 H80 N O10 P 776.5449666 777.5533 PC(32:1)_ln_a 4.33 PC(32:0)>PC(16:0_16:0)_M+H2CO2_feature2 C41 H82 N O10 P 778.5610266 779.5694 PC(32:0)_ln_b 5.06 PC(30:0)>PC(14:0_16:0)_M+H2CO2_feature1 C39 H78 N O10 P 750.5289866 751.5374 PC(30:0)_ln_a 4.25 PA(38:4)>PA(18:0_22:4)_feature1 C41 H73 O8 P 723.4962666 724.5046 PA(38:4) 5.25 PA(36:1)>PA(18:0_18:1)_feature1 C39 H75 O8 P 701.5119966 702.5204 PA(18:0_18:1) 6.12 PA(34:1)>PA(16:0_18:1)_feature1 C37 H71 O8 P 673.4802366 674.4886 PA(16:0_18:1) 5.17 MGDG(34:1)>MGDG(16:0_18:1)_feature1 C44 H82 O12 801.5730366 802.5814 MGDG(16:0_18:1) 5.79 LPE(O-18:2)_feature1 C23 H46 N O6 P 462.2983366 463.3067 LPE(O-18:2) 2.27 LPE(O-15:0)_feature1 C20 H44 N O6 P 424.2842866 425.2927 LPE(O-15:0) 2.16 LPE(22:6)>LPE(22:6/0:0)_and_LPE(0:0/22:6)_feature1and2 C27 H44 N O7 P 524.2773866 525.2858 LPE(22:6)_ln_ab 1.73 LPE(20:4)>LPE(20:4/0:0)_and_LPE(0:0/20:4)_feature1and2 C25 H44 N O7 P 500.2774666 501.2858 LPE(20:4)_ln_ab 1.78 LPE(18:0)>LPE(18:0/0:0)_and_LPE(0:0/18:0)_feature1and2 C23 H48 N O7 P 480.3085266 481.3169 LPE(18:0)_ln_ab 2.42 LPE(16:0)_feature1and2 C21 H44 N O7 P 452.2773766 453.2858 LPE(16:0)_ln_ab 2.11 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_M+H2CO2_feature1and2 C29 H52 N O9 P 588.3301566 589.3385 LPC(20:4)_ln_ab 1.74 LPC(18:1)>LPC(18:1/0:0)_and_LPC(0:0/18:1)_M+H2CO2_feature1 C27 H54 N O9 P 566.3456966 567.3541 LPC(18:1) 2.06 LPC(18:0)>LPC(18:0/0:0)_and_LPC(0:0/18:0)_M+H2CO2_feature2 C27 H56 N O9 P 568.3615266 569.3699 LPC(18:0/0:0)_ln_b 2.38 LPC(16:0)>LPC(16:0/0:0)_and_LPC(0:0/16:0) 2M + H2CO2_feature2 C49 H102 N2 O16 P2 540.3302966 541.3387 LPC(16:0/0:0)_ln_b 2.06 HexCer(d44:2)_M+H2CO2_feature1 C51 H97 N O10 882.7033866 883.7118 HexCer(d44:2) 7.01 HexCer(d44:1)_M+H2CO2_feature1 C51 H99 N O10 884.7206666 885.729 HexCer(d44:1) 7.34 HexCer(d43:2-OH)>HexCer(d18:1/25:1-OH)_feature1 C49 H93 N O9 884.6842066 885.6926 HexCer(d18:1/25:1-OH) 6.81 HexCer(d43:2)_M+H2CO2_feature1 C50 H95 N O10 868.6887266 869.6971 HexCer(d18:1/25:1) 6.88 HexCer(d43:1-OH)_feature1 C49 H95 N O9 840.6949566 841.7033 HexCer(d18:1/25:0-OH) 7.12 HexCer(d42:3)_M+H2CO2_feature3 C49 H91 N O10 852.6576166 853.666 HexCer(d18:2/24:1)_ln_c 6.38 HexCer(d42:2-OH)>HexCer(d18:1/24:1-OH)_feature3 C48 H91 N O9 824.6633666 825.6717 HexCer(d18:1/24:1-OH)_ln_c 6.67 HexCer(d42:2)_feature3 C48 H91 N O8 808.6687966 809.6772 HexCer(d42:2)_ln_c 6.75 HexCer(d42:1-OH)>HexCer(d18:1/24:0-OH)_feature3 C48 H93 N O9 826.6795466 827.6879 HexCer(d18:1/24:0-OH) 6.98 HexCer(d42:1) M+ H2CO2_feature2 C49 H95 N O10 856.6901466 857.6985 HexCer(d42:1)_ln_a 6.85 HexCer(d42:1)_feature2 C48 H93 N O8 810.6846366 811.693 HexCer(d42:1)_ln_b 7.05 HexCer(d42:0-OH)_feature1 C48 H95 N O9 828.6942266 829.7026 HexCer(d42:0-OH) 7.09 HexCer(d42:0)_M+H2CO2_feature1 C49 H97 N O10 858.7049566 859.7133 HexCer(d42:0) 7.15 HexCer(d41:2-OH)_feature1 C46 H87 N O7 810.6467466 811.6551 HexCer(d41:2-OH)_ln_a 6.43 HexCer(d41:2-OH)_feature2 C47 H89 N O9 856.6522966 857.6607 HexCer(d41:2-OH)_ln_b 6.59 HexCer(d41:2)_M+H2CO2_feature2 C48 H91 N O10 840.6572266 841.6656 HexCer(d41:2)_ln_b 6.57 HexCer(d41:2)_M+H2CO2_feature3 C48 H91 N O10 840.6572166 841.6656 HexCer(d41:2)_ln_c 6.69 HexCer(d41:1-OH)_feature2 C47 H91 N O9 812.6637966 813.6722 HexCer(d41:1-OH_ln_b 6.85 HexCer(d41:1)_feature1 C47 H91 N O8 796.6680466 797.6764 HexCer(d41:1) 6.92 HexCer(d40:2-OH)_M+H2CO2_feature1 C47 H89 N O11 842.6368466 843.6452 HexCer(d40:2-OH)_ln_a 6.03 HexCer(d40:2-OH)_feature2 C46 H87 N O9 796.6314266 797.6398 HexCer(d40:2-OH)_ln_b 6.27 HexCer(d40:2)_M+H2CO2_feature2 C47 H89 N O10 826.6420066 827.6504 HexCer(d40:2)_ln_b 6.45 HexCer(d40:2)_M+H2CO2_feature3 C47 H89 N O10 826.6407166 827.6491 HexCer(d40:2)_ln_c 6.71 HexCer(d40:2)_M+H2CO2_feature1 C47 H89 N O10 826.6420166 827.6504 HexCer(d40:2)_ln_a 6.26 HexCer(d40:1-OH)>HexCer(d18:1/22:0-OH)_feature2 C46 H89 N O9 798.6476966 799.6561 HexCer(d18:1/22:0-OH)_ln_b 6.71 HexCer(d40:1)_feature2 C46 H89 N O8 782.6525366 783.6609 HexCer(d40:1)_ln_b 6.79 HexCer(d39:2-OH)_feature1 C45 H87 N O9 784.6310166 785.6394 HexCer(d39:2-OH)_M+H2CO2 6.47 HexCer(d38:1-OH)_feature1 C44 H85 N O9 770.6152966 771.6237 HexCer(d18:1/20:0-OH) 6.07 HexCer(d38:1)_feature1 C43 H83 N O6 754.6207666 755.6291 HexCer(d38:1) 6.3 HexCer(d36:1)_feature1 C42 H81 N O8 726.5891566 727.5975 HexCer(d36:1) 5.36 Hex2Cer(d42:3)_feature1 C54 H99 N O13 968.7026866 969.7111 Hex2Cer(d42:3) 7.26 Hex2Cer(d41:3)_feature1 C53 H97 N O13 954.6869166 955.6953 Hex2Cer(d41:3) 7.12 Hex2Cer(d40:3)_feature1 C52 H95 N O13 940.6703966 941.6788 Hex2Cer(d40:3) 6.99 Hex2Cer(d38:3)_feature1 C50 H91 N O13 912.6391766 913.6476 Hex2Cer(d38:3) 6.71 FA(22:6)_feature1 C22 H32 O2 327.2317966 328.2402 Docosahexaenoic acid 2.35 FA(20:4)_feature1 C20 H32 O2 303.2317466 304.2401 Eicosatetraenoic acid 2.43 CL(76:10)_feature1 C85 H146 O17 P2 1499.996297 1501.0047 CL(76:10) 7.75 Cer(d42:2)_M+H2CO2_feature4 C43 H83 N O5 692.6196866 693.6281 Cer(d42:2)_ln_d 7.02 Cer(d42:1)_M+H2CO2_feature3 C43 H85 N O5 694.6358166 695.6442 Cer(d18:1/24:0)_ln_c 7.37 Cer(d41:2)_M+H2CO2_feature2 C42 H81 N O5 678.6034266 679.6118 TG(50:2)_ln_b 6.97 Cer(d41:1)_M+H2CO2_feature1 C42 H83 N O5 680.6200066 681.6284 Cer(d41:1) 7.21 Cer(d38:1)_feature1 C38 H75 N O3 592.5670166 593.5754 Cer(d38:1) 6.75 Cer(d36:2) M + HCO2_feature1 C37 H71 N O5 608.5253866 609.5338 Cer(d36:2) 5.36 Cer(d36:1)_feature1 C36 H71 N O3 564.5359466 565.5443 Cer(d18:1/18:0) 6.17 Cer(d34:1)_M+H2CO2_feature1 C35 H69 N O5 582.5090366 583.5174 Cer(d34:1) 5.2 New_Sulfatide(d42:2-OH) - 904.6190266 905.6274 - 6.18 New_Sulfatide(d42:1) - 890.6399066 891.6483 - 6.7 New_Sulfatide(d40:2) - 860.5923066 861.6007 - 5.45 New_PE(O-38:4)>PE(O-18:1/20:3) - 752.5596766 753.5681 - 6.53 New_PE(38:6)>PE(18:0_22:6) M + HCO2 + Na - 858.5259266 859.5343 - 5.3 New_PE(38:1)>PE(18:1_20:0)_and_PE(18:0_20:1) - 772.5858866 773.5943 - 6.09 New_MGDG(34:1)>MGDG(16:0_18:1) - 801.5760966 802.5845 - 5.13 New_HexCer(d44:2-OH)>HexCer(d18:1/26:1-OH) - 852.6942066 853.7026 - 6.94 New_HexCer(d44:1-OH)>HexCer(d18:1/26:0) - 854.7104766 855.7189 - 7.26 New_HexCer(d42:0-OH)_M+H2CO2 - 874.6992466 875.7076 - 6.93 New_HexCer(d40:2)_M+H2CO2 - 826.6335766 827.642 - 7.02 New_HexCer(d40:1-OH)>HexCer(d18:1/22:0-OH)_M+H2CO2_feature1 - 844.6436766 845.6521 - 6.86 New_HexCer(d40:1-OH)>HexCer(d18:1/22:0-OH)_M+H2CO2_feature2 - 844.6450666 845.6534 - 6.78 New_HexCer(d40:1-OH) - 800.6627366 801.6711 - 6.82 METABOLITES_END #END