#METABOLOMICS WORKBENCH araskind_20170605_120150 DATATRACK_ID:938 STUDY_ID:ST000781 ANALYSIS_ID:AN001236 PROJECT_ID:PR000567 VERSION 1 CREATED_ON July 5, 2017, 3:14 pm #PROJECT PR:PROJECT_TITLE Rabbit Plasma Lipidomics Studies PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY Plasma lipidomics PR:INSTITUTE University of Michigan PR:DEPARTMENT UMich Internal Medicine PR:LABORATORY Pennathur Lab PR:LAST_NAME Pennathur PR:FIRST_NAME Subramaniam PR:ADDRESS University Michigan, 2900 Huron Parkway, Ann Arbor, MI 48105 PR:EMAIL spennath@umich.edu PR:PHONE 734 615 5757 #STUDY ST:STUDY_TITLE Rabbit Plasma Lipidomics with high fat diet and treatment ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Plasma of rabbits fed high fat diet with and with out lipitor over 20 weeks ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Kachman ST:FIRST_NAME Maureen ST:ADDRESS 6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714 ST:EMAIL mkachman@med.umich.edu ST:PHONE (734) 232-8175 ST:NUM_GROUPS 4 ST:TOTAL_SUBJECTS 59 #SUBJECT SU:SUBJECT_TYPE Animal SU:SUBJECT_SPECIES Oryctolagus cuniculus SU:TAXONOMY_ID 9986 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0004599 S00015612 lipitor:NO | visit:1 week SUBJECT_SAMPLE_FACTORS SU0004600 S00015613 lipitor:NO | visit:1 week SUBJECT_SAMPLE_FACTORS SU0004601 S00015614 lipitor:NO | visit:1 week SUBJECT_SAMPLE_FACTORS SU0004602 S00015615 lipitor:NO | visit:1 week SUBJECT_SAMPLE_FACTORS SU0004603 S00015616 lipitor:NO | visit:1 week SUBJECT_SAMPLE_FACTORS SU0004604 S00015617 lipitor:NO | visit:1 week SUBJECT_SAMPLE_FACTORS SU0004605 S00015618 lipitor:NO | visit:1 week SUBJECT_SAMPLE_FACTORS SU0004606 S00015619 lipitor:NO | visit:1 week SUBJECT_SAMPLE_FACTORS SU0004607 S00015620 lipitor:NO | visit:1 week SUBJECT_SAMPLE_FACTORS SU0004608 S00015621 lipitor:YES | visit:1 week SUBJECT_SAMPLE_FACTORS SU0004609 S00015622 lipitor:YES | visit:1 week SUBJECT_SAMPLE_FACTORS SU0004610 S00015623 lipitor:YES | visit:1 week SUBJECT_SAMPLE_FACTORS SU0004611 S00015624 lipitor:YES | visit:1 week SUBJECT_SAMPLE_FACTORS SU0004612 S00015625 lipitor:YES | visit:1 week SUBJECT_SAMPLE_FACTORS SU0004613 S00015626 lipitor:YES | visit:1 week SUBJECT_SAMPLE_FACTORS SU0004614 S00015627 lipitor:YES | visit:1 week SUBJECT_SAMPLE_FACTORS SU0004615 S00015628 lipitor:YES | visit:1 week SUBJECT_SAMPLE_FACTORS SU0004616 S00015629 lipitor:YES | visit:1 week SUBJECT_SAMPLE_FACTORS SU0004617 S00015630 lipitor:YES | visit:1 week SUBJECT_SAMPLE_FACTORS SU0004618 S00015631 lipitor:NO | visit:1 week SUBJECT_SAMPLE_FACTORS SU0004619 S00015632 lipitor:NO | visit:8 weeks SUBJECT_SAMPLE_FACTORS SU0004620 S00015633 lipitor:NO | visit:8 weeks SUBJECT_SAMPLE_FACTORS SU0004621 S00015634 lipitor:NO | visit:8 weeks SUBJECT_SAMPLE_FACTORS SU0004622 S00015635 lipitor:NO | visit:8 weeks SUBJECT_SAMPLE_FACTORS SU0004623 S00015636 lipitor:NO | visit:8 weeks SUBJECT_SAMPLE_FACTORS SU0004624 S00015637 lipitor:NO | visit:8 weeks SUBJECT_SAMPLE_FACTORS SU0004625 S00015638 lipitor:NO | visit:8 weeks SUBJECT_SAMPLE_FACTORS SU0004626 S00015639 lipitor:NO | visit:8 weeks SUBJECT_SAMPLE_FACTORS SU0004627 S00015640 lipitor:YES | visit:8 weeks SUBJECT_SAMPLE_FACTORS SU0004628 S00015641 lipitor:YES | visit:8 weeks SUBJECT_SAMPLE_FACTORS SU0004629 S00015642 lipitor:YES | visit:8 weeks SUBJECT_SAMPLE_FACTORS SU0004630 S00015643 lipitor:YES | visit:8 weeks SUBJECT_SAMPLE_FACTORS SU0004631 S00015644 lipitor:YES | visit:8 weeks SUBJECT_SAMPLE_FACTORS SU0004632 S00015645 lipitor:YES | visit:8 weeks SUBJECT_SAMPLE_FACTORS SU0004633 S00015646 lipitor:YES | visit:8 weeks SUBJECT_SAMPLE_FACTORS SU0004634 S00015647 lipitor:YES | visit:8 weeks SUBJECT_SAMPLE_FACTORS SU0004635 S00015648 lipitor:YES | visit:8 weeks SUBJECT_SAMPLE_FACTORS SU0004636 S00015649 lipitor:YES | visit:8 weeks SUBJECT_SAMPLE_FACTORS SU0004637 S00015650 lipitor:NO | visit:20 weeks SUBJECT_SAMPLE_FACTORS SU0004638 S00015651 lipitor:NO | visit:20 weeks SUBJECT_SAMPLE_FACTORS SU0004639 S00015652 lipitor:NO | visit:20 weeks SUBJECT_SAMPLE_FACTORS SU0004640 S00015653 lipitor:NO | visit:20 weeks SUBJECT_SAMPLE_FACTORS SU0004641 S00015654 lipitor:NO | visit:20 weeks SUBJECT_SAMPLE_FACTORS SU0004642 S00015655 lipitor:NO | visit:20 weeks SUBJECT_SAMPLE_FACTORS SU0004643 S00015656 lipitor:NO | visit:20 weeks SUBJECT_SAMPLE_FACTORS SU0004644 S00015657 lipitor:NO | visit:20 weeks SUBJECT_SAMPLE_FACTORS SU0004645 S00015658 lipitor:NO | visit:20 weeks SUBJECT_SAMPLE_FACTORS SU0004646 S00015659 lipitor:YES | visit:20 weeks SUBJECT_SAMPLE_FACTORS SU0004647 S00015660 lipitor:YES | visit:20 weeks SUBJECT_SAMPLE_FACTORS SU0004648 S00015661 lipitor:YES | visit:20 weeks SUBJECT_SAMPLE_FACTORS SU0004649 S00015662 lipitor:YES | visit:20 weeks SUBJECT_SAMPLE_FACTORS SU0004650 S00015663 lipitor:YES | visit:20 weeks SUBJECT_SAMPLE_FACTORS SU0004651 S00015664 lipitor:YES | visit:20 weeks SUBJECT_SAMPLE_FACTORS SU0004652 S00015665 lipitor:YES | visit:20 weeks SUBJECT_SAMPLE_FACTORS SU0004653 S00015666 lipitor:YES | visit:20 weeks SUBJECT_SAMPLE_FACTORS SU0004654 S00015667 lipitor:YES | visit:20 weeks SUBJECT_SAMPLE_FACTORS SU0004655 S00015668 lipitor:YES | visit:20 weeks SUBJECT_SAMPLE_FACTORS SU0004656 S00015669 lipitor:NO | visit:1 week SUBJECT_SAMPLE_FACTORS SU0004657 S00015670 lipitor:NO | visit:20 weeks #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A004 - Shotgun Lipidomics.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF CH:COLUMN_NAME Waters Acquity HSS T3 (50 x 2.1mm, 1.8um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A004 - Shotgun Lipidomics.pdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF MS:INSTRUMENT_TYPE Triple TOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area normalized MS_METABOLITE_DATA_START Samples S00015612 S00015613 S00015614 S00015615 S00015616 S00015617 S00015618 S00015619 S00015620 S00015621 S00015622 S00015623 S00015624 S00015625 S00015626 S00015627 S00015628 S00015629 S00015630 S00015631 S00015632 S00015633 S00015634 S00015635 S00015636 S00015637 S00015638 S00015639 S00015640 S00015641 S00015642 S00015643 S00015644 S00015645 S00015646 S00015647 S00015648 S00015649 S00015650 S00015651 S00015652 S00015653 S00015654 S00015655 S00015656 S00015657 S00015658 S00015659 S00015660 S00015661 S00015662 S00015663 S00015664 S00015665 S00015666 S00015667 S00015668 S00015669 S00015670 Factors lipitor:NO | visit:1 week lipitor:NO | visit:1 week lipitor:NO | visit:1 week lipitor:NO | visit:1 week lipitor:NO | visit:1 week lipitor:NO | visit:1 week lipitor:NO | visit:1 week lipitor:NO | visit:1 week lipitor:NO | visit:1 week lipitor:YES | visit:1 week lipitor:YES | visit:1 week lipitor:YES | visit:1 week lipitor:YES | visit:1 week lipitor:YES | visit:1 week lipitor:YES | visit:1 week lipitor:YES | visit:1 week lipitor:YES | visit:1 week lipitor:YES | visit:1 week lipitor:YES | visit:1 week lipitor:NO | visit:1 week lipitor:NO | visit:8 weeks lipitor:NO | visit:8 weeks lipitor:NO | visit:8 weeks lipitor:NO | visit:8 weeks lipitor:NO | visit:8 weeks lipitor:NO | visit:8 weeks lipitor:NO | visit:8 weeks lipitor:NO | visit:8 weeks lipitor:YES | visit:8 weeks lipitor:YES | visit:8 weeks lipitor:YES | visit:8 weeks lipitor:YES | visit:8 weeks lipitor:YES | visit:8 weeks lipitor:YES | visit:8 weeks lipitor:YES | visit:8 weeks lipitor:YES | visit:8 weeks lipitor:YES | visit:8 weeks lipitor:YES | visit:8 weeks lipitor:NO | visit:20 weeks lipitor:NO | visit:20 weeks lipitor:NO | visit:20 weeks lipitor:NO | visit:20 weeks lipitor:NO | visit:20 weeks lipitor:NO | visit:20 weeks lipitor:NO | visit:20 weeks lipitor:NO | visit:20 weeks lipitor:NO | visit:20 weeks lipitor:YES | visit:20 weeks lipitor:YES | visit:20 weeks lipitor:YES | visit:20 weeks lipitor:YES | visit:20 weeks lipitor:YES | visit:20 weeks lipitor:YES | visit:20 weeks lipitor:YES | visit:20 weeks lipitor:YES | visit:20 weeks lipitor:YES | visit:20 weeks lipitor:YES | visit:20 weeks lipitor:NO | visit:1 week lipitor:NO | visit:20 weeks Arachidonic acid 464673.5727 638773.2562 382422.8689 671549.3365 441365.8472 479748.9179 318452.5098 341830.6163 1018894.186 391359.4414 694778.9255 558713.9488 412083.4872 825665.9928 584606.6636 683300.4586 535391.3979 633451.7016 653244.478 362531.1387 535323.6673 534636.6834 507515.5339 896975.6546 756343.0215 1432374.581 1008441.267 803127.1148 474699.3244 518721.6386 700922.3414 670455.9879 784048.6958 755213.4617 1298900.389 891197.123 845721.8182 826465.9516 582889.191 863383.9037 644308.1593 1013411.296 794303.5328 1207631.382 795906.442 678417.0894 883013.8855 691371.7997 376221.4967 449336.5767 460401.3813 405833.3817 407887.3425 611206.9921 999100.6804 1346383.883 702748.4539 356863.9248 1049936.158 CL 66:1; [M-2H](2-)@6.27 10960.7373 5357.100005 1226.497486 3212.607551 5173.332843 3022.083532 1147.276292 764.9311893 5015.810774 8150.424515 5680.740948 2991.212196 4761.904136 6284.918129 9824.71005 3999.009062 4576.58729 2309.725509 3252.690487 13933.07961 19516.7304 13379.95988 8722.096775 7443.725621 30901.15118 10364.6241 13440.06731 15336.83135 4156.944089 20907.91834 28685.46812 15035.38653 17447.48877 16349.79584 10177.99332 16540.31519 6868.244983 14482.45869 19964.88663 10070.20778 27836.29723 7487.083799 10537.57067 6798.835578 38035.24413 6582.664978 4137.78433 132182.412 16167.15779 50733.63322 33628.58925 69691.04541 14794.84703 9426.519745 31425.74503 68237.62889 80489.98783 505.9427002 6027.215714 CL 70:1; [M-2H](2-)@6.86 69432.18777 135630.7843 95046.09341 113629.028 101408.9252 78920.55208 67627.72664 76964.16492 218789.5719 96691.4244 244051.3837 117984.9512 85798.2643 235240.9652 185288.5867 131008.6656 186520.6533 215798.2613 126106.5508 116048.9711 92211.36666 79604.29663 61540.47578 144303.8397 92368.63251 55803.33643 96935.99605 98965.85581 176082.3458 110056.607 149970.4482 195224.4129 129214.8916 109433.5178 103363.5666 148250.9771 269335.3099 172602.3167 175427.838 80314.21217 129338.8235 152550.4531 209854.4978 129768.8539 223420.6731 49996.78305 72723.17585 498890.7513 61800.29874 147267.5312 187704.6565 192613.7211 158057.8544 179952.7259 237622.0758 305121.6447 293058.117 85210.41496 183155.3076 CL 70:5; [M-2H](2-)@5.92 69084.25568 88952.8742 28410.18806 36634.9851 38658.47319 63828.46544 17591.43964 20089.15479 111039.7939 52016.9535 110614.6473 55428.71207 91401.87856 63252.57588 105207.4989 61662.34545 47718.15456 99646.57086 70934.0874 116992.8024 50799.56132 74959.50562 77033.59781 150861.7034 271943.0881 103785.003 218142.2433 260179.1738 153095.429 151986.1723 256725.9433 169013.6474 323534.1477 138670.2451 128780.1373 303813.7989 127224.5591 392023.3336 198072.4682 111441.0075 96637.97307 120908.8852 253963.1302 110783.4669 171430.0051 57985.437 32040.61295 340831.4254 167211.2013 235033.3683 208064.281 372974.8317 149054.9894 173907.4225 275283.9965 154630.6469 989572.5153 43982.65581 92073.97784 CL 72:5; [M-2H](2-)@6.39 11815.05411 10811.79475 7252.536566 5355.80675 11336.43096 14053.88079 7144.559022 7248.308786 23871.60423 16199.49346 12052.85994 10935.43879 12573.75171 13960.1312 24579.62186 19340.5955 7185.483165 22720.96316 20680.80417 9861.769083 11626.64388 12426.66906 9317.025394 9988.916662 12967.74397 10858.03786 11616.09429 14187.18215 11246.07547 10163.3961 22816.81951 14662.7297 23096.62782 18788.84374 11932.20006 16541.39103 18674.72342 27155.00349 13193.22018 2667.108569 15114.96235 13022.76953 20754.86653 12650.31865 28730.07616 3009.554368 3188.143923 38434.17967 6747.499493 17903.19694 21712.51464 20145.13896 17154.43637 11980.7227 28012.39483 26466.19011 23675.96039 5177.882649 18421.08198 CL 74:1; [M-2H](2-)@7.45 371411.4868 444346.5402 91526.35503 178513.0914 177818.2644 305689.2341 72844.12997 22218.23947 291735.2155 325295.2657 218275.5049 198724.4999 148524.881 309381.3626 335095.6909 486762.1136 264668.6378 181093.4299 146106.521 167835.2687 171827.2739 273087.431 163455.021 359109.5654 572066.329 136742.8772 294486.4824 283046.2679 264601.924 350457.0368 384421.3552 254694.5629 307578.7686 256579.5855 572247.9614 480461.0729 301755.2389 258076.4341 207478.8915 156128.9548 291373.749 217660.8174 310461.473 152878.2409 465330.7666 75121.10418 62831.57638 990029.5714 243374.2467 672196.6622 228033.5009 800444.1535 207050.6896 153708.4058 647240.3128 1012715.523 642686.9038 137593.4178 128415.6446 CL 74:3; [M-2H](2-)@7.07 1268274.208 1366673.115 289743.7658 515747.7994 565573.9363 945238.7272 217241.5667 118752.4034 815285.2208 651707.4055 848608.3541 505953.4007 486727.6422 1032036.937 1142372.203 1405000.009 694841.3741 567847.9576 535323.6844 850599.2136 781626.7988 1003549.577 522948.171 1166790.597 1977772.786 437564.4382 1079945.859 1216250.675 1051524.265 1309739.095 1951104.979 1097914.333 1617107.337 977406.8409 1571855.958 1445213.965 1067748.562 1096427.033 1070376.289 649541.3822 1401101.506 753205.6371 1978362.47 900261.7451 4840961.787 802093.0237 331643.7411 4964639.589 639640.4965 2723952.896 1620036.66 3410674.431 1275493.221 931583.8246 2431715.196 3528299.525 2792513.765 432502.7259 435445.5696 CL 74:5; [M-2H](2-)@6.75 300257.3927 389533.5969 191505.6735 237991.1122 298050.8425 438099.4813 135030.9899 144272.2902 602303.1417 294085.3756 465099.8903 320903.3225 244730.1696 412291.2592 561078.5278 357346.6464 212997.7284 378419.9236 391826.1078 284812.3532 357042.8862 346595.2844 335410.2172 663117.4817 684483.714 289217.7954 497620.014 748442.4646 446523.5198 993149.2429 1126987.344 609445.1908 1151353.346 701195.9666 413015.4709 1604069.686 701929.2167 1106251.828 414642.0626 320816.6856 721177.1135 493336.6175 1590339.059 443545.0539 1418943.717 176182.6035 166479.7777 1446139.893 375521.0541 1028152.319 1163055.13 1290167.506 829112.1791 672509.9686 1546872.169 1054787.048 2088961.691 287785.2262 702536.6714 CL 78:3; [M-2H](2-)@7.55 5365.892129 11436.95692 4594.67268 15671.21666 8735.046338 12661.07437 20446.21348 6031.812097 24198.6025 31214.13359 28877.34409 12009.45864 14715.60314 30227.98127 22035.98742 18239.39136 12476.13752 45743.57135 23087.28157 17146.94801 11917.53201 15847.03424 8198.480212 12775.61137 30970.38643 13854.53043 20365.19621 13436.10566 20173.24997 18025.93733 20912.35619 15876.81215 16925.72 9849.741955 52723.94904 10390.95247 23240.9104 20180.4023 25116.39099 11562.35045 36651.10085 31967.26486 19350.79981 21334.44007 23051.89869 10146.39264 6822.156342 50041.97088 27946.53045 12694.23997 26869.45932 15474.5024 21921.4663 17101.03465 36432.3134 35891.78628 28249.92406 13231.72974 20478.28795 CL 78:9; [M-2H](2-)@6.49 294665.0654 461176.0452 192275.1921 285171.9628 181282.0323 360229.8942 151140.4127 110346.9422 525868.8745 230764.3132 518042.7376 357901.8666 342409.2902 450547.0162 524435.8611 364113.245 256887.2296 370520.2382 468767.0644 105200.7997 118024.4783 135460.6521 121857.255 191198.7991 276208.1246 126033.1721 170010.6989 169855.2273 174066.9709 349349.7274 329798.7999 147714.1063 313897.0788 165952.7998 147605.1874 446921.542 204179.5923 315190.4177 164141.9951 110589.7151 205403.2317 160560.3393 521812.3474 187384.2676 651122.7374 84333.5669 72760.34919 565973.6652 128354.9559 336498.5557 456043.1978 506652.8099 334372.531 232047.8382 522765.4341 426884.6803 784487.0402 256760.5354 310710.3484 CerP 34:1; [M-H]-@5.83 1354.981016 981.5619955 4538.223569 4107.399086 3672.8067 240.3857906 91.77532111 1425.471124 5088.561288 4125.866533 4325.203749 2129.081582 1452.893785 3260.497714 3079.107037 3202.355968 795.3930326 5451.408794 2220.374108 4975.558436 9756.941495 4158.557809 5667.330186 12031.44206 1789.450811 7513.827552 2156.824952 1983.441165 5488.167456 13110.44532 10412.91505 8083.455081 12582.71645 7792.907127 5050.526434 1883.470521 12362.98573 9194.808096 11139.74504 6265.596065 5135.535102 11337.28839 10368.95078 7540.386862 14862.97913 1385.628504 8819.379615 11514.32206 2771.181365 8826.801007 7200.198116 8784.323433 14283.55419 13961.36602 8003.989954 8799.962903 2500.208322 1036.080302 11381.76404 FFA(16:0) 33128652.62 39045044.32 35745115.88 36016193.64 34470644.21 34853262.72 25918642.02 24839202.12 60504486.18 41862809.32 44310119.28 41836837.03 31564020.68 39350209.79 51072402.09 44212790.28 31590686.7 52568604.71 49946850.36 25692646.67 33587825.98 34240220.73 36060236.05 33658254.13 44101131.49 41693529.45 34913336.28 32279999.34 38253697.59 30569907.61 38071312.07 37860088.44 37248451.81 37926905.94 37961196.28 35096248.06 28641514.19 34181933.1 42907258.51 48415184.41 40340343.44 30923128.85 35954003.72 55737618.93 22423505.75 34845297.36 36320320.98 36587291.14 35351063.58 28764957.06 37288343.81 31450540.01 21661206.58 21367520.26 32559471.01 50596126.7 35887965.61 30337240.86 37819831.45 FFA(18:0) 44679762.7 38645429.47 25399485.16 22674706.61 24076286.95 30639481.32 13909579.86 11955903.49 39629222.5 30103766.4 36816418.89 32532138.71 37021822.02 30402651.13 53188305.21 28315209.43 29511172.7 43452553.68 35067025.09 19889923.75 26836584.92 21720116.2 32284372.02 26585523.75 50545004.06 31005444.45 40545036.46 34187154.15 25810361.15 58683159.83 48841130.17 37068617.75 53230497.11 43883675.91 30347753.74 53648574.37 39470643.32 38536904.25 26057440.33 31694649.96 31937327.44 19550561.64 69344646.71 32408860.2 46973706.13 17251156.59 22445030.84 37993487.34 36387327.43 52257327.93 41502353.67 48050951.95 29580704.14 18301659.54 33715839.1 31529817.09 57852071.04 34699199.32 42770030.85 FFA(18:1) 14887267.1 11074765.09 10291625.87 19463272.91 10790921.09 12505941.42 13016294.85 13155630.81 29425107.68 14367867.8 15995868.03 14641153.19 13901637.84 17559924.28 16816996.68 21768668.55 13452320.71 24795939.03 19413514.53 10174305.71 14267425.55 18150781.75 16934193.97 16150077.02 30633360.44 25417635.94 13911940.99 16067918.8 14591333.32 14684426.79 18989890.1 18974739.82 18449320.09 19920256.64 23344915.84 16155948.42 14603975.55 22280135.19 15045633.81 28094790.32 11935021.51 19153179.27 13703489.79 32755218.31 8702327.663 13618729.82 15289706.74 15744942.55 12716044.34 9506850.065 15208740.73 9453138.135 6707271.405 11190967.04 14608112.1 26733145.02 15114778.95 11278224.85 14882631.97 FFA(18:2) 13995997.42 10699784.36 12612587.68 17342662.13 11621672.87 13467744.75 11761930.56 11347312.42 31344902.28 10988332.86 16772551.99 14242795.16 11296913.92 16190175.3 18000388.95 21526923.43 13983105.94 24310116.82 18151588.77 10390509.52 18001769.19 23300384.18 21381098.71 20243647.47 36181296.03 27929942.31 14551675.81 16453601.9 17558296.58 17538319.66 20122709.31 20753201.49 23151721.33 22425941.54 26338155.32 18333125 17611948.64 26109029.48 17197794.49 32565925.23 13348775.01 25175352.42 22741595.11 43123979.98 12014811.28 14615419.03 17328761.73 18572446.91 15277256.89 10195220.59 14964598.09 10574351.64 6913914.443 15664829.31 18373126.88 31526023.95 15606232.93 11460171.07 21543226.37 FFA(20:0) 904897.0339 1340663.396 1306522.653 957549.847 1107133.019 877740.8237 588833.4039 653508.7449 1732436.993 1452519.727 1224991.727 1337878.96 853431.4868 1290089.135 1334823.817 1273103.782 1188877.732 1770332.321 1657683.159 933046.6942 1173224.789 1077930.535 1161464.112 1159102.219 1511507.945 1323945.912 1157790.416 972249.4325 1394862.476 1194224.7 1341983.848 1342227.77 1513695.728 1372264.044 1271683.735 1301160.544 1077153.917 951509.3913 1715512.355 1584041.268 1652570.573 992871.2038 1393814.399 1665667.708 1041018.614 1182838.032 1389042.84 1375145.948 1426271.016 1146253.635 1494204.19 1221017.136 832050.0152 700263.2769 1063954.602 1730688.791 1498920.963 993040.5872 1454900.987 FFA(20:1) 258732.6553 227083.2241 193478.8322 374371.4278 226642.9058 244301.2001 215822.5135 234408.3287 576702.773 277724.1451 330058.6317 296165.3453 223746.6436 296795.5134 343527.0954 491430.8618 222481.5706 443522.1986 379687.9378 263027.6452 371393.3147 467397.6516 431218.3619 411775.4385 704698.6597 657526.4982 310963.319 400052.9012 303355.7672 382072.272 587814.5217 403246.7353 471126.3169 469089.5934 671560.3341 358002.1993 402337.2193 587281.2499 459620.3456 499843.1317 330397.9058 541649.3387 343919.3488 658080.613 444267.3752 373915.9654 374817.3732 456077.0133 232208.5011 254949.4 405089.2276 221439.6663 182382.0263 323081.6995 280175.7679 710218.742 441006.7707 209513.5071 420586.7785 FFA(20:2) 156822.5341 170269.0837 187049.6596 334084.4591 165773.6558 192431.4546 154126.9013 250790.4677 453893.4219 167069.357 311325.1594 199987.0985 197457.2992 231129.6642 262965.9438 248988.6335 257508.1511 423303.2371 212701.3025 358831.8562 316613.6417 652997.3481 339478.3651 491343.4507 726753.7568 714120.852 364220.5353 415886.5629 350207.5678 561477.0122 1046013.596 531790.0982 709902.4559 581768.8738 926852.3305 360463.7278 641011.59 865532.5431 462596.2046 419105.5734 420710.4795 877655.9749 515960.7971 806899.6081 666899.216 471973.168 328222.941 831669.2264 247821.3174 345196.3226 497818.9091 235455.4145 364149.9573 586056.6162 323005.3867 836989.4486 592649.93 182428.2417 710563.5069 FFA(22:0) 203570.7741 248735.5632 216993.6625 194123.5816 233725.5108 158780.2904 124323.899 191428.4634 386232.2858 261772.2298 297511.7368 335051.3029 204276.9845 249020.1071 289836.6718 255683.2621 210681.9472 387358.1694 268824.7483 286531.4865 292367.2657 274949.5862 317838.1688 338810.3229 304940.1255 411130.9712 293251.8876 258541.2493 363891.7865 408166.0869 409237.8015 370525.6742 535336.1213 356543.3664 436864.431 360707.5223 328129.3768 338699.7693 658656.1071 372965.553 404534.915 368535.6779 536483.5316 511922.5916 401666.3365 473812.8492 360148.3246 392324.3289 278336.4788 400113.2617 430295.0183 349681.6355 261366.0646 296263.1087 308007.5602 444591.1633 377336.5236 198096.6095 442192.6689 FFA(22:1) 58346.97172 41651.11291 44094.73995 29340.73568 36675.75224 34628.04246 15662.7369 16246.4614 67505.719 19579.43224 44412.843 48582.03732 51402.98874 36493.1961 89163.92421 71095.54501 19826.27029 76641.70917 46582.51022 50215.4526 68620.66177 64331.03636 105941.0575 90323.83974 144066.4152 126303.5329 95348.31723 72447.54494 43533.21342 192964.8714 201126.3453 117116.8385 181269.5242 80349.52146 102560.4963 156879.9671 104722.4126 169240.7601 139139.5961 112524.0005 143404.7324 125570.079 314093.4702 122021.7393 464124.0413 55807.90501 67691.57524 160191.7297 36701.2159 227270.2316 168355.2072 134510.208 123668.1628 90929.91855 108352.4735 133571.967 144182.2339 35314.90725 215719.8979 FFA(22:2) 29292.74911 21593.95336 10270.90469 15954.9534 8089.6786 17876.57673 7364.919928 8247.876713 28334.2922 14449.75578 25668.84003 15505.92308 17972.54532 16747.40111 35445.18155 30955.79559 13698.73117 32828.27843 20806.69421 29153.14251 21393.06445 38619.3608 43825.75679 36895.87631 79163.83141 62358.3997 42220.59025 48404.8798 19889.21843 76741.18051 86165.25301 56144.259 120175.0933 60865.33177 62283.64617 69851.73786 72352.6803 70790.1929 66460.89492 52792.43194 64479.79817 68733.44216 127438.6203 60622.13436 213110.1096 44641.97077 36919.38432 66314.49296 21479.84118 105146.9792 48164.45375 66916.12885 56326.56339 49358.02 52451.17948 80715.37315 83131.14778 13470.37961 116643.7678 FFA(22:3) 27695.2855 21614.56109 7235.210256 14518.15114 7325.081601 22940.45891 6586.874902 1953.673038 18475.56731 11047.46986 21192.79071 15713.7373 6813.288324 10613.7457 14735.10951 29185.71069 16448.21333 10913.47874 13840.92102 27500.03474 24127.9598 42423.53595 27740.32347 35211.37902 94399.85081 38073.18528 39457.89259 22973.66674 7873.362686 37074.81745 42672.75639 22414.81892 72260.43722 47489.5605 70760.32396 45901.80711 37047.53234 32057.23956 25075.38167 32202.78682 33353.08732 25326.85471 71424.0493 49706.2688 129109.5452 25946.69154 19315.77547 114790.6567 20968.18592 94001.56662 57657.79877 82678.48602 28443.86719 19543.84936 58197.15084 116429.8066 57623.04505 12245.69729 28997.2425 FFA(24:0) 214880.9281 201137.243 127069.6099 142946.7128 200171.1652 144011.864 128515.1064 171468.8423 254515.8059 180620.1927 244617.0676 207145.975 138501.0119 258531.2274 236582.4614 270966.4691 115886.5209 240164.341 238271.8807 150493.7507 141421.9219 134211.3988 258780.383 168597.0049 187233.3633 218830.672 186398.518 126293.8777 233049.7037 172398.8418 244416.9549 259649.4808 309575.1105 164208.2673 195671.5115 127896.1993 158132.0705 232265.6709 284108.4174 206692.2123 200929.4635 236936.0324 326577.643 220966.7447 126311.0672 231759.1875 190683.056 173219.2524 142902.7024 200820.1428 115278.4235 154809.9558 87985.04488 119560.5454 120151.1453 236208.1952 176860.4968 155517.7373 190463.7874 FFA(24:1) 120394.3896 164463.0705 70732.48973 91329.42933 114633.3982 86227.39455 76022.41519 92864.5583 243271.8511 122681.4771 166472.3712 138659.3006 123657.4743 116940.267 194508.1099 190203.9686 99155.7963 191026.1796 159770.7757 252975.9232 188449.4125 257453.1239 235389.7693 236188.851 289574.376 389556.6593 290396.7556 195273.8622 206511.1472 243631.0649 369404.947 285030.615 391404.8675 245378.9792 251505.8205 217608.6491 268479.2159 313643.8477 1046841.568 478009.5247 561283.1098 498765.1844 600350.8081 472650.9842 547248.7453 636100.6416 396380.8971 418359.0082 125667.5709 369272.7404 421915.7264 298233.8156 324241.0779 345967.8396 205995.8805 487015.3945 331420.6901 94845.99519 698694.5193 FFA(24:2) 48351.83153 66752.11154 27221.3391 34184.3863 60602.7421 38239.31873 31195.30638 33786.2718 87255.23987 46750.2999 52058.91054 46432.42843 39458.37013 47576.25919 59202.57096 83602.21934 33795.1976 65616.15372 67748.32892 119386.1104 90669.865 104064.1778 77684.95085 82938.64948 106309.8249 163190.714 115985.0412 79443.77751 61092.29446 93689.58193 121814.9403 109900.5027 192081.9111 102039.1084 126171.9339 102618.7045 120911.09 127897.3344 430821.2428 200635.1805 228085.8059 243695.909 287720.7861 205797.6246 272149.9445 250465.8232 152083.0047 118080.5307 51569.60141 156452.7751 153779.2208 91752.06681 134288.2952 132108.2922 89169.78781 186305.8111 118952.0044 34628.8348 313787.3544 FFA(24:3) 2918.287602 4070.202398 2151.400443 2993.189477 3705.253111 5248.791835 2208.072994 3750.346583 6000.207737 4614.803445 5893.186871 5143.041285 4038.515581 3646.778693 4260.711776 4824.014214 2241.854203 8285.943587 7528.804939 8170.281052 8345.193473 7568.532488 5804.476351 3150.547294 5002.461509 9580.843296 5147.974727 8661.650352 3076.94464 11303.19048 13794.39479 8140.115492 14253.67825 7389.537886 4942.878301 6119.86707 8315.422751 6613.338843 16815.955 9693.355641 7520.944523 10342.57287 14289.8736 13176.08344 9995.226585 8636.597837 4195.547366 8404.516452 4171.723429 10258.78572 11681.66531 7255.826228 7987.773638 10515.5502 5207.073794 14378.90721 6094.33838 4432.161334 14787.31354 MGDG 22:1; [M-H]-@1.47 11240.09239 18551.52776 14042.37827 14730.53938 24808.59396 15837.08621 15961.23276 13982.72459 17327.21731 14111.60404 27224.75503 13203.30356 13363.25574 20775.99788 16361.69354 19100.13196 31667.19795 16958.57396 18073.76452 20897.75822 16634.31058 27146.22516 15420.53969 23112.03832 24382.20859 27671.57773 22271.41919 15123.00729 30543.07481 25673.71629 36147.91193 22402.75506 28380.69166 20304.01513 25495.23395 19947.65478 34793.94866 15048.84871 23289.7846 22414.80282 43006.93786 27460.26583 30538.04896 19270.44607 31757.4581 28849.4666 18630.18756 46694.21821 16720.16969 32951.04787 32861.69046 22667.83032 26856.00002 23248.99082 19884.61909 26057.22481 19764.16976 15830.27039 28311.25792 PA 34:0; [M-H]-@6.96 11179.65635 73361.59689 38981.67415 28809.13485 35077.38575 25182.20667 30033.92108 48616.6091 34364.19012 22447.46358 20496.68478 37921.3554 34050.08854 57336.83959 26739.95422 25223.10436 46366.96943 49030.68655 28097.03217 22865.32085 29826.88651 23511.62214 17391.76374 17220.58302 50623.7455 20591.65464 5750.146111 23458.44686 25038.55763 23076.8518 41494.93339 27074.71387 14200.49619 19572.75493 22435.57135 32896.98792 22528.45633 27944.60633 17813.17328 17474.12295 44302.73731 36200.75064 36566.25849 17880.4076 30881.9241 24800.89349 36668.79935 31618.71529 14540.28781 22801.43631 35462.10822 34738.68508 37466.41919 45435.12153 15675.16349 33522.22578 26569.23138 24312.92486 20141.34416 PA 34:0; [M-H]-@2.83 1711.512747 1640.832291 2945.956537 3320.595343 3012.066171 4094.738941 4272.207092 4818.259001 4527.280446 698.8271816 3935.850239 1769.922785 4380.93755 637.016531 5732.616653 2265.893428 2100.79855 2678.599122 3310.827148 2944.160901 1545.184126 681.6959064 1810.559547 4934.970259 1498.631208 4760.207729 6655.790603 6472.154769 2635.976075 4635.531864 6271.660259 3888.433112 3358.656915 2085.799282 1691.059578 3373.991004 1765.364453 1963.876699 2028.275863 679.1896171 1681.817823 2990.799374 8554.709495 2317.81465 4866.694728 2015.671519 4328.025327 17698.34495 1491.566455 3081.904559 2316.130988 1215.861274 1044.048412 1798.806228 1815.457378 1598.610009 3235.857705 4271.33513 5259.394709 PA 34:0; [M-H]-@7.97 41691.5026 160113.8017 29183.16198 23707.2184 105703.3934 83275.22923 19791.97967 20705.6509 16844.91893 23104.89708 55635.58384 50612.17168 50785.57466 89393.96105 54113.85583 26295.12426 24915.72144 12956.31726 25375.95857 16392.21369 11784.60506 28915.24741 34259.27238 38754.46799 75097.58155 PA 34:2; [M-H]-@6.28 4553.226361 2552.914416 1711.410021 3914.870321 3170.37053 3162.099561 1606.546866 947.2499788 10597.47242 1648.824316 10990.21764 4076.330797 2591.202666 4957.213453 6973.990037 5240.79721 7118.56086 4437.976569 3920.57741 2433.235299 2040.258491 9302.584387 1913.845807 4187.591635 3692.645167 4111.319318 4069.181367 1223.625599 9307.710731 1738.316511 5319.360305 5013.488955 2115.941703 3910.466948 6673.100904 2591.572708 7579.4251 10081.37074 4437.253915 1491.198334 10312.94932 12759.88672 8102.562763 6692.392358 5244.438275 15112.73925 5616.72083 14676.58638 3950.823972 3262.577125 2122.860223 3525.440159 5098.914124 2392.234862 5405.989533 5198.797764 3751.529039 3988.174869 7671.933291 PC 19:2; [M-Ac-H]-@1.38 5977.430825 4546.512778 5292.050604 4944.92205 6869.307215 4457.943846 4029.780464 6172.518254 6875.948362 10958.16831 7707.479496 3017.301804 7502.601175 7653.069511 3934.35373 6659.114562 6399.213117 10934.08714 7580.04026 11462.29029 11282.72141 10021.24861 6516.468204 9595.460879 7906.262323 13345.79031 9555.00806 9202.905597 15225.71373 6845.298212 6066.708204 11556.29063 5482.107906 5857.877785 8659.156357 11223.86163 11122.4651 10399.02012 16147.55053 9952.303729 12068.84412 16653.25908 4882.455293 15950.22393 4879.192837 23635.26913 20934.23677 17039.04279 4630.911595 12167.31357 9528.09128 12795.9688 9964.454602 5551.776756 8807.390372 6966.647422 8586.637211 4361.92488 18580.77845 PC 28:0; [M-Ac-H]-@5.24 1359.391926 2895.80783 545.3628893 503.1282558 743.4709084 2179.678193 418.713645 111.5889127 4768.752786 147.1757909 308.3126239 1644.244802 1894.196771 3144.825181 1321.642649 395.6878005 2189.513735 1702.118129 390.9858483 3780.084256 4630.290931 4560.255919 5264.565143 7155.141346 5303.004389 7583.574369 8194.341696 7629.994552 2936.674278 7349.053054 10775.33895 11253.76635 20410.1161 8865.353671 7726.91271 5235.368009 7603.008804 4205.447348 9871.459372 5382.383624 7348.287032 6896.149391 19189.61409 4994.266329 17683.67495 9209.863164 3059.261946 15643.95072 8548.05345 29443.20556 15036.96413 16982.6204 9384.840277 6265.5902 6893.8916 10315.44425 10972.66945 1378.668571 11554.94749 PC 29:0; [M-Ac-H]-@5.61 2030.973291 8077.373324 1556.407871 1913.971578 1903.08081 2287.226933 51.15858961 253.819183 4672.923476 557.8991839 3845.663313 1589.999377 2822.938492 3501.339636 5029.795715 11825.72597 2031.675798 2266.204959 3281.651057 5960.727382 2992.582712 12736.77525 1582.035679 11409.71988 13203.07104 5232.583175 3374.559664 15614.4045 7734.740603 7078.913687 11122.23636 10233.61721 13350.91853 11464.73758 14867.69778 10760.60546 11378.30451 3391.388109 11646.97179 9797.16666 11635.06371 6927.02502 24199.435 12335.17438 30224.4314 13386.71664 6075.224171 23580.42592 3544.555763 26569.26655 14647.27054 27713.70297 7565.438204 5518.527492 3455.668734 21650.87079 19034.21145 1663.450989 16095.23376 PC 30:0; [M-Ac-H]-@5.95 9592.886778 13719.8795 11020.9502 4793.295278 12137.70186 28307.13304 6355.814565 11633.24048 14186.40127 10236.22913 26302.94174 19566.52288 17281.46034 16429.1724 27509.57003 12140.12033 9386.349401 16546.31818 23180.34614 26701.21996 20861.88549 17171.27793 25960.09814 27346.89298 23419.86351 31663.83158 47318.89636 34026.27641 17727.40372 49697.01412 64065.99071 121231.4039 59269.14966 43242.22684 30620.04693 33105.47165 36639.02931 46481.22771 49760.58145 32221.89142 48346.18163 42051.23149 85679.18988 45498.31752 182465.0939 28825.95198 23053.92951 53677.1166 25851.51957 96231.65513 63436.0731 96114.06455 44143.30341 42679.5876 42778.80138 43565.88761 90213.72516 10346.92609 53784.16988 PC 30:1; [M-Ac-H]-@5.43 353.902241 1240.802191 814.177331 2434.41584 1248.257675 2863.111834 503.9049225 2130.455345 4857.55221 1655.139354 2974.312553 3062.13136 2509.648397 6020.735689 1940.272418 2447.841218 1787.83011 6427.523718 4271.529972 12220.32327 13763.49726 13248.33757 7133.567416 9266.701288 12395.40583 12813.47747 10656.50174 7680.121261 3118.185641 11174.37053 27831.29814 18925.21412 28845.97712 14201.77355 14146.72926 7411.49984 23737.99054 10877.26562 26957.22238 7765.296695 25680.11217 25714.99738 26511.77738 11321.5048 24169.0625 10945.85854 8684.367651 42858.46689 4236.106152 13156.01707 39037.68278 15587.38674 24195.93781 9475.327039 11639.45138 27274.15548 38041.91652 3600.964864 22480.65391 PC 31:0; [M-Ac-H]-@6.22 14257.33778 10223.35584 2819.487033 6861.121808 13133.55755 9416.904396 4444.261589 2345.57104 19500.89846 11704.39549 11045.68536 6337.155279 4296.207398 6643.300606 11311.22643 9954.341623 12219.53823 13317.07499 6865.393285 27035.29232 22331.07729 38842.55194 16640.76408 22004.64498 36298.77197 17809.51956 24018.12442 18912.85924 25427.57199 34239.03409 63064.80618 33373.12931 83139.03985 33178.46353 62345.32584 19785.49599 49745.13715 28166.4858 39497.88922 26498.83754 46850.52342 27857.51412 83089.56758 45424.9311 128197.6925 35555.57626 16783.64833 104253.1534 20264.62825 95053.6599 56753.45671 63766.56978 46879.03166 18873.39823 22528.53114 112131.9067 75741.52902 3393.835866 36233.19372 PC 31:1; [M-Ac-H]-@5.75 6273.099143 5775.150284 786.3303476 3786.846207 3986.537736 3392.798489 3768.067388 7994.544244 4526.697036 2100.30827 9916.408263 4007.833601 8336.086223 7170.835957 8632.181827 4448.362297 612.2427942 6787.45174 5992.3571 8884.096049 6776.90715 8502.490956 7307.090165 19786.6789 27738.52491 14729.29145 25895.90942 23768.20783 6067.264656 32270.72592 39535.3409 17495.03676 31846.83952 25991.82712 21592.92289 30735.05667 12411.93311 13801.93265 11350.63275 7709.652518 31537.43663 14422.84868 27277.81422 23608.56103 18902.0385 16321.32256 8135.769933 37414.5777 15015.85022 24520.48916 30557.79666 60857.08949 19243.70934 27534.24602 12576.45431 12547.02972 64108.8676 5542.868846 30536.72761 PC 32:0; [M-Ac-H]-@6.58 63109.01862 76006.89202 82906.92729 61908.05815 78518.85844 87120.85256 58083.91773 80424.31062 135593.5065 93062.27671 106394.0014 107395.3626 78245.24226 114639.5185 112250.5501 104197.0381 65027.7756 141657.5536 88897.73061 320269.4244 270608.1173 293061.5837 295154.0987 298708.8222 238492.7768 295116.5456 285642.3715 272862.7868 184621.9322 262302.7107 379060.7148 390687.7308 560254.1609 325473.47 262837.9396 226968.0052 314934.1659 326407.7287 809101.0548 692472.1161 885828.5085 714976.46 779258.4438 606417.1997 705791.512 714906.8931 405180.8823 550485.9922 244244.5541 625696.3385 565575.2956 527844.0799 564561.2882 496225.5703 407222.7839 624698.8984 472902.429 88426.34284 831749.9918 PC 32:1; [M-Ac-H]-@6.08 11097.82863 31295.35923 21748.28762 11988.98852 24866.87942 25944.39877 14060.32286 38051.49332 51403.9909 32833.70695 41069.95936 26096.27258 42863.46955 39965.26543 42517.37091 30181.48919 23353.87857 53736.94263 59575.83597 332659.477 280754.7123 243633.5023 116810.1809 202027.3801 192266.0729 326822.2606 271256.4277 208913.9667 103592.152 371620.4027 847567.1457 400924.8604 570573.3121 312774.3122 221407.2149 230482.1627 221328.038 291729.8145 812409.8028 385812.7466 761951.9548 478754.8455 408928.68 561558.7075 381202.2491 564414.6837 293633.9121 896887.9657 205186.9043 659696.8222 1041777.002 910216.9575 346262.6856 442445.8927 399184.7642 660358.9708 1352710.932 10794.64929 579129.0515 PC 32:2; [M-Ac-H]-@5.61 15854.73995 29296.96259 13388.17748 14978.91673 18408.97098 34723.00281 11905.76427 22400.74818 21517.34622 28197.52414 31356.87664 19892.08529 23998.99918 20336.15451 30688.41013 30981.52352 18505.85696 26811.41665 40829.99281 117217.7289 161511.6966 129841.2328 52801.81231 92021.87845 125596.319 141594.019 143029.4657 150796.569 66283.44326 177604.6477 247096.7549 211195.9513 299452.3853 139082.6024 141652.822 213570.5408 138318.2668 179376.993 257966.9566 133432.1779 228259.3416 223729.2721 188897.9449 189114.5444 117405.037 187182.6197 144605.622 264462.3735 100212.1304 165813.9311 366264.6261 177539.9189 178187.5975 193092.7232 236684.9573 207500.463 503539.9799 17466.38131 172051.8729 PC 32:3; [M-Ac-H]-@5.17 179.4144956 1364.965115 11.78008718 630.9505202 1665.910406 965.957534 289.3729367 2115.915867 4446.731851 341.4602975 1054.308563 2652.959934 3287.921669 2631.433122 2583.680366 886.0247536 1720.93985 5333.954418 2885.979658 13183.66741 7956.984395 10122.28196 4117.020464 3011.381328 3532.442079 10266.86296 9244.07411 8945.845505 2841.793966 18435.41087 24410.80225 19808.05484 30481.27341 6011.639937 11622.07409 12644.38099 16820.95452 19469.79392 17186.4715 9743.557525 4520.467987 11767.16832 5180.596845 10054.79138 4900.729371 9091.763167 2515.445848 11667.56422 5948.694599 6356.098343 21136.96236 11238.36066 7719.703636 8319.974211 9075.301769 16360.8466 33174.85752 905.5402475 8330.854922 PC 33:0; [M-Ac-H]-@6.84 10827.92468 6560.007077 11118.71558 9985.859332 11493.50911 9742.761937 10275.52265 13774.66777 14181.53184 8990.121673 22114.28539 10082.93744 6670.505027 19342.60657 13983.75319 15807.80251 24471.0297 17956.36344 10306.54655 29743.81504 14266.2641 35634.95641 15567.7494 30759.96397 14323.91697 26908.91319 16347.06037 16250.20215 16677.92834 37769.55661 41532.92633 21958.347 37799.38186 18603.83281 27856.57984 14747.30988 36346.732 50106.91187 50983.86554 12595.71483 63280.03782 34156.57578 54470.59466 36390.13194 97251.90716 30166.3871 17944.20065 46053.76934 24695.20811 54930.2906 34387.42832 17182.21392 45224.91008 34644.72413 23735.56301 45013.84907 27778.9925 26805.58902 74470.64955 PC 33:1; [M-Ac-H]-@6.41 18344.5862 22654.63187 32421.34979 24945.95892 42392.78699 22480.44415 20850.52983 34768.05621 50520.16949 74099.1304 59694.50588 53137.78572 35438.04717 53568.90073 41296.28673 37091.98002 37405.01107 56385.21794 37202.81367 108800.3024 61891.8903 105340.4613 34154.06202 91540.55481 32515.77619 99542.45391 50621.69818 48847.18314 64643.441 171780.2874 175413.9754 117408.3441 192905.7331 84131.99373 93311.59951 57513.45405 148246.1248 80327.30091 123561.6218 66848.76922 126047.2894 199262.3616 90512.6698 65148.75283 233649.6026 102254.178 52402.98379 299386.6816 38063.34661 95889.35021 144600.9673 92419.96647 135501.9273 80201.02514 74811.3181 161483.6795 174300.6592 23945.6325 170842.7868 PC 33:2; [M-Ac-H]-@5.94 69980.07247 101477.8047 74726.13442 63359.18072 125400.1704 175835.9992 84193.96314 60720.77812 140923.338 127963.2751 140731.0112 111139.0876 63658.46284 94105.23585 111146.2994 114368.2388 98561.59857 177274.3043 132740.6015 153728.7317 167896.1993 220611.9693 114808.5111 206564.0103 140991.9269 167132.6854 177631.3046 167992.671 287917.2545 193156.6218 228008.5727 203427.5002 303393.0981 199935.8754 179054.6276 222031.5478 229879.8196 218935.6813 304130.5763 172133.0349 273829.1711 326118.8721 238607.0639 209001.1436 170256.635 330753.237 205609.7021 241733.3673 140833.5543 222918.6758 259213.9222 176849.2779 201015.813 224066.2213 330861.3024 217470.7027 305733.9197 72021.3369 210783.7458 PC 33:3; [M-Ac-H]-@5.55 8692.985924 7039.646459 14136.77759 6065.785747 18767.17697 34054.47413 4696.628166 9361.497029 17502.63997 27809.35871 26292.37657 13467.95676 14310.192 17402.04871 22851.49898 17219.63952 6614.537919 22599.14072 19507.29768 31317.05875 35808.94121 43627.76547 31514.4434 30780.2302 30396.1395 40165.45447 34501.24458 26788.47485 38566.37665 45607.68911 60216.75739 50374.57241 55123.69387 55344.01456 36671.68846 30972.28924 43959.5663 47830.14497 47018.23694 26393.82067 51337.99591 60038.86397 45998.95825 54706.55977 24238.39458 55551.96058 44071.70327 39817.80889 17501.90977 35492.57023 52435.33466 38821.73549 41049.71007 48512.27554 62546.18128 52155.38082 67589.84198 11918.46683 53512.39646 PC 34:0; [M-Ac-H]-@7.19 267318.4074 276219.9373 267067.1001 272327.7335 271472.5936 272172.3963 272265.7896 270613.0185 269377.5829 269720.1031 270751.8668 266500.8422 268215.7188 275617.0299 277534.9148 272227.2696 272514.1525 270011.7188 269700.178 262125.4984 268761.2433 269125.4101 262116.4486 271034.2569 271993.6871 271599.8316 267518.306 275968.1301 271940.7864 272132.5875 247426.3489 273556.9827 283132.2473 272734.4205 271482.0622 271083.2341 271203.0464 279637.6145 276387.5298 277460.9217 275502.6877 282236.8697 269887.0107 274077.9618 273968.367 276701.1223 267862.624 270939.8762 269627.8868 273796.8027 269898.46 270298.1805 274322.1524 286341.6897 273900.9921 282262.5633 269224.5866 270172.6867 273257.6099 PC 34:1; [M-Ac-H]-@6.66 1154095.392 1019623.918 738293.5679 605569.4182 611672.4021 1079774.849 443556.0069 442646.2927 1381756.316 972240.3178 1455916.373 838540.4408 1109853.213 995100.3536 1547748.592 978564.7655 759354.5702 1217951.329 1037000.781 1026651.251 1162476.954 973595.9081 1188662.509 1341907.789 1868258.947 1287031.483 1427513.581 2208858.626 1149370.174 3752656.683 3721871.409 2315499.13 4343471.219 2681107.944 1437630.604 3153608.363 3196850.408 2472285.704 1565801.713 1304313.767 2677433.543 1872001.54 3863837.185 1407327.266 6141762.487 1127350.214 1095738.827 4676056.433 1308713.467 3951575.193 4692037.57 4606153.772 3434402.809 2307827.421 2961317.899 2221222.151 6262947.672 808943.9076 3421466.991 PC 34:2; [M-Ac-H]-@7.52 25859.46717 15676.62332 7390.455024 8862.300443 11100.24215 19127.34673 3028.252307 3846.708464 15847.39715 14165.32911 20016.45266 14708.47855 5539.313896 6672.211621 13230.71663 25511.33191 15173.29161 7945.20095 4264.348439 21094.85239 26472.99694 31599.52429 16570.57198 34075.86426 35397.20401 40228.96672 31326.78892 43449.79895 17437.1525 40517.77558 69653.5106 32391.10334 94865.17984 58703.92396 141787.8947 24258.44008 42330.08838 61276.71733 22661.06449 22445.48186 43808.14377 43475.50378 132140.2098 27806.83542 150148.0127 21909.03369 17795.9687 97239.43817 27848.11801 110248.2429 72057.30758 61869.30623 30025.95544 60584.91846 40034.5935 122848.4911 77517.6574 10745.33992 50498.62755 PC 34:2; [M-Ac-H]-@8.60 8812.989128 18184.56812 2706.109472 17898.13711 6423.678023 8578.720056 3512.218478 4975.687254 30645.83252 4933.057683 30800.76018 17880.89573 20424.59661 13888.69046 28756.81915 15882.94434 18321.27148 27177.82929 13991.70451 9316.560908 14375.47509 10458.35268 28234.5991 27903.30332 45042.89202 31631.70977 124838.7971 37920.62076 31312.07386 91216.21745 81044.57507 73372.31349 40633.90419 50304.70438 18611.46344 48534.8099 78244.88224 94588.41583 31313.17758 29360.07648 35778.95363 18430.50071 143361.3295 24145.70778 80891.93949 27252.32659 7872.051005 32686.90402 6547.922826 66163.49419 114201.5673 66143.15493 55628.37339 59310.28214 138719.0999 38548.37612 96624.84113 16137.35457 82156.99153 PC 34:2; [M-Ac-H]-@6.22 2680679.468 2390606.759 1258707.96 1181502.008 1532396.501 2020884.464 939807.7182 892850.0321 3432891.799 1804144.668 3310002.472 2004840.362 2582101.93 1951711.218 2975206.558 2442204.153 1581919.653 2569030.047 2275785.367 2557324.33 3421954.156 3143534.69 3589096.475 4060882.524 4797746.911 4181577.467 5427242.232 5700733.414 2769392.817 10207998.5 10857709.86 6912842.586 11181136.28 5931318.324 4014490.986 8607459.301 6858177.905 7727649.759 6680773.287 4903815.309 7436327.88 6361335.98 15771200.18 6401654.354 15006144.21 4213944.616 3522079.642 10404623.24 3918913.073 11803669.26 11688099.65 11152076.53 9042698.733 6752279.188 10158333.57 6683623.101 12975813.32 1690265.532 10561000.94 PC 34:3; [M-Ac-H]-@5.76 188003.3847 159490.7356 121760.1969 113498.2178 136321.9054 257669.4623 73586.79819 89457.16931 156524.597 198017.984 276573.4699 183181.7114 226352.1617 135168.6287 276570.2648 204803.5773 110618.1324 239772.9737 209355.6837 320417.5095 451505.216 335523.4193 321844.8734 400565.8225 756493.7392 463393.2388 566437.1716 617333.4484 286799.6955 1294600.61 1070690.249 651201.6152 1216343.353 853022.7816 427600.4394 836564.6113 770692.1278 961915.1647 422825.1141 294124.3873 584621.6593 529138.2312 1094471.722 475273.3471 933968.5743 259099.9558 318109.0445 1034628.068 407147.4739 986904.9726 1337134.465 959434.602 842016.6368 632449.9155 781568.7449 596529.4705 1993181.313 143180.577 722838.987 PC 34:4; [M-Ac-H]-@5.39 4684.211454 2852.142902 5778.524688 3419.244913 8069.236982 13501.07322 2251.28465 2750.934341 11749.65466 5871.116968 7293.915905 3006.74696 11235.15302 6266.256344 14102.06479 2890.530238 6009.801981 4328.412209 11588.37047 23744.24467 17859.32713 24561.57343 21617.4583 31099.28892 41433.75041 31352.05253 44850.81319 52389.88602 17691.11327 68697.06432 46565.46354 29394.36214 83788.22346 72058.76111 34937.84059 61809.25231 73171.4528 39901.52569 12462.90475 19201.60375 15730.07728 25980.19505 86587.12351 21120.69454 42951.23579 21000.75354 12409.76945 79345.74565 31775.4991 27249.97712 88203.57373 42546.4453 55826.38907 40851.39186 61840.16428 45717.31614 111250.0819 8899.681537 32584.57171 PC 35:0; [M-Ac-H]-@7.46 11046.75493 14908.83633 9484.231741 7288.940863 6433.84352 21616.76266 5801.136639 8627.485463 24729.99203 9084.784785 9239.368253 15640.42914 10059.24975 12022.87773 20899.54251 10818.96468 12368.3083 16661.18538 13531.04719 15804.02608 15699.80799 11193.84613 2423.472274 22876.64855 21184.81965 16653.24899 33689.90274 27938.49988 9806.616122 24050.27897 22512.96959 22018.15207 32731.57929 19538.51176 13865.48674 20197.53732 22869.55686 12354.57851 10213.04859 14408.3923 20733.56354 20758.35566 50946.80977 12572.30794 30264.96557 14631.63306 20533.60778 31350.21957 19071.34538 49075.93132 19500.80397 26950.26951 39722.64604 12882.95645 19370.73852 15634.3192 46462.03167 6713.655731 20916.03322 PC 35:1; [M-Ac-H]-@7.02 30663.55503 24978.88548 52930.6595 40638.79307 50452.43048 34957.70378 35889.34798 52613.19054 59771.0323 43340.92471 49512.20108 62011.51463 44173.1924 68969.23866 56727.01473 47125.63466 75891.88921 82186.18107 50166.75561 109531.8091 65648.32842 70652.34392 55827.96645 70656.85238 47889.17422 56506.8797 63938.47454 72164.05402 78868.58883 153818.5922 192071.8112 133880.8921 176638.6357 111478.0977 99574.05258 80741.65001 163028.5263 95125.69668 94925.72361 42271.53005 152376.2185 119380.5317 126839.977 69295.14889 159784.7153 92860.91783 50456.96182 228244.6604 46943.67014 124384.3149 156580.2157 107766.2804 126946.6524 126072.6552 109396.2666 165165.884 85051.31941 46662.48678 89041.7121 PC 35:2; [M-Ac-H]-@6.55 260203.947 227288.7037 184259.6428 139143.1251 265459.4135 259217.8945 132715.7286 143400.7501 389182.4019 204188.4649 371935.359 239411.5618 254420.9545 237568.9707 355417.4927 215128.9033 179778.6885 264777.3371 310422.5617 216103.8998 172326.7171 167827.62 267089.0882 280035.3726 395150.0637 196714.3333 357820.2215 313123.1434 230131.3433 592883.8534 509404.7959 331211.6191 748331.912 398526.0004 215524.4801 575911.0785 425137.5974 392592.8294 289703.7369 267839.4816 367621.7766 325938.8182 978523.0497 304590.7184 809427.8163 171743.9422 166721.6582 435461.211 229853.7904 601129.534 592079.3024 612706.7256 433635.518 321520.9379 550133.8147 298206.2397 698176.4904 247913.7864 599892.9843 PC 35:3; [M-Ac-H]-@6.10 21388.45595 39078.04297 23575.65632 15486.09003 40542.01487 47055.36164 16640.41831 24913.16816 34769.432 43983.00044 53577.84717 34731.89586 30099.17867 32147.21866 42889.12941 41689.73169 32837.22516 48028.86927 54989.7831 57627.03613 30350.13736 59857.83607 54846.007 47283.779 65162.14449 69320.74201 74765.48433 54681.16143 45340.17413 89470.47129 172933.1118 68656.07349 138177.3972 93984.78571 57432.4407 93721.54211 97074.94838 92056.06803 181886.4465 59349.89211 163778.9273 181459.0275 130418.4942 92578.46021 64341.89428 53014.20978 62517.16345 126073.1551 47179.96346 105873.8016 140011.1139 97206.19889 101344.6869 134691.4856 83623.88112 132600.7701 161323.585 18649.22319 92543.34357 PC 35:4; [M-Ac-H]-@5.89 10465.01084 9408.717387 11246.5965 15356.06275 18424.43706 27596.41423 14816.58035 20895.33505 23977.35234 9852.96829 39879.48838 27626.28058 14237.99652 15948.04269 32608.61126 17415.67631 22366.53679 38290.49232 28276.1041 37080.15429 23570.84431 21737.45973 22040.96585 43644.58765 18446.80826 30767.69264 32549.34721 20939.11766 35055.65039 33234.73021 46338.6601 31275.03922 57622.83974 29527.99523 36534.79717 25633.37333 41085.45502 52308.60661 52950.35204 29143.26607 80357.26248 108720.2541 68850.43791 40980.32161 57548.75037 28967.64636 27576.92219 82112.34575 33904.11387 63819.83509 60891.84193 41136.84049 85673.89605 49310.49932 32828.44042 38611.05411 98133.52312 20214.50042 55732.84516 PC 36:1; [M-Ac-H]-@7.26 642369.8393 566635.5413 354306.6515 265939.9047 363048.5591 590397.8245 244078.1692 205447.5378 634662.7474 576687.3904 644176.6725 455024.3113 681091.9029 489420.3818 867581.9499 595178.5769 442351.0681 624783.5918 547547.6808 504029.7512 533507.2979 380607.0973 544616.1066 607193.2446 900586.3031 502379.1729 764602.8056 1040556.298 444042.2884 1645979.009 1711407.317 999501.5655 1842172.708 1004810.731 660478.3325 1147369.049 1200086.468 1090877.199 615992.4925 508042.2371 836599.1876 701220.069 1575958.397 564764.5955 1960875.297 367195.73 418008.0856 1572933.042 565306.9674 1439578.27 1471896.534 1660373.383 1193926.05 885402.9392 981016.3184 869200.3407 1889233.936 461984.3811 1157981.665 PC 36:2; [M-Ac-H]-@6.83 1169791.162 1746534.394 1750291.671 1667466.568 1880945.846 1469150.731 1332125.127 2126740.921 3715696.293 1756206.534 4432762.516 2416148.719 1946626.133 2659813.559 2564091.668 1983324.899 2765050.328 3103301.413 2165316.529 4073707.841 2404804.847 3434504.401 2078787.711 4058209.107 2534875.27 2843145.082 3283093.011 3208382.656 4893605.213 5279084.082 7531235.29 5507805.436 6652363.612 4486348.378 4112242.281 3819819.656 6853714.679 5028175.049 6194974.478 2948964.861 8516705.984 8873902.31 9758431.251 5040954.531 9908775.469 5057908.429 3722704.239 11449951.04 2292141.621 6299120.433 8247935.412 5733693.306 7874265.868 6928945.884 5780752.435 6570842.315 7033348.176 1597814.517 9089649.564 PC 36:3; [M-Ac-H]-@6.38 637073.053 483991.6497 343894.9945 313969.7104 421065.8645 768297.4588 240434.4772 244586.9052 674006.388 512649.9045 696465.1874 435110.7433 671875.978 457951.257 646074.9764 554131.8431 389244.4557 599789.4361 598275.8896 585808.5918 729515.9417 706639.6059 806306.9684 893899.8962 1581681.178 779063.9904 1212362.284 1051110.598 705555.2875 2219740.874 2643285.344 1233312.337 2590933.486 1557376.585 987453.8106 2034842.919 1843123.587 1667486.575 1332030.599 806280.1387 1631979.377 1666454.847 3358424.936 1395877.836 3891093.371 688644.6806 720408.2359 2489600.001 781461.9363 2320124.301 2995452.607 2258385.129 2011930.006 1518920.294 1841639.35 1471487.234 4124054.359 470124.6164 2216071.366 PC 36:4; [M-Ac-H]-@6.05 631030.6032 422904.4986 317771.3746 440213.6761 345335.0971 792137.5477 196700.5806 153124.1437 510112.7179 330353.7398 591249.8477 657579.6784 625180.249 399713.1881 1024231.996 470320.9867 294737.7726 501215.939 881316.2381 601889.7738 584639.8241 526924.5853 606952.6176 1128763.513 1202052.487 943303.4181 1480403.951 1150174.275 524375.3811 2175784.411 2269534.076 1236219.829 1991760.923 1221721.322 958415.4036 1998372.017 1030972.57 2021843.077 729029.1455 1114866.597 937770.5575 936825.0435 4251313.792 1780896.582 1540322.909 450782.3621 871407.8168 1732224.121 1044658.006 1383196.566 1750113.343 1602327.106 2344287.867 1110368.545 1378976.556 933614.2789 4240955.284 387033.4668 1354938.741 PC 36:5; [M-Ac-H]-@5.57 139833.0641 90826.00449 42718.93415 54826.73089 110514.7792 199527.5035 36966.77632 58731.50854 71341.49265 70361.65639 157805.5705 72877.33598 139720.4235 85045.79802 135246.592 129430.5903 57394.93695 112667.1267 131060.4232 153979.9536 238294.3 156376.9035 219285.5396 242206.1677 452364.161 242800.6124 351701.6827 317627.2725 182015.7549 655775.7991 554436.9549 299984.5315 570781.3733 452399.161 265722.9696 570513.93 369668.7918 507313.2097 183581.515 102963.331 239782.1762 309845.1152 707904.8947 233893.5846 396487.5276 94127.46802 119630.6469 536829.5452 201146.5275 416084.6718 610865.8254 465045.0109 420602.5638 281707.1611 480184.4589 337331.771 874038.4509 89308.73551 381535.6416 PC 36:6; [M-Ac-H]-@5.05 593.3143399 1685.992769 375.8930689 1423.549458 1343.649226 2482.188888 391.6356167 1050.079734 696.9911837 5321.707178 1740.508183 2015.505914 2963.387948 1983.448631 2826.685284 1019.045195 1387.626025 5487.46627 2776.890546 7444.664805 6687.666293 8749.43362 9743.972005 5507.907696 10145.78678 6585.181085 10778.74854 11562.37766 3152.776474 34108.69225 20837.26171 14706.31461 47237.25047 19128.26167 9090.569058 14515.90322 26565.13058 23394.98518 10587.6374 5497.69596 5271.944052 12170.27334 22665.75444 6127.513017 7557.110082 2765.798605 4457.298986 20616.46319 4571.663642 18998.26656 17404.3631 20054.39924 10980.99134 9314.828166 7771.760788 20339.40947 36159.45928 1729.492604 20566.57192 PC 37:1; [M-Ac-H]-@7.56 33037.94281 49053.40907 40012.71611 24475.00408 44369.16847 49807.08966 31529.06846 35660.766 70507.67311 51802.49215 71429.65411 43279.32283 51933.49812 40240.05213 35967.17965 61645.23567 31307.0669 58965.17226 71335.81112 34858.51838 51871.51235 41090.08007 42046.31638 50764.6971 47395.62023 39466.62935 44514.46751 44702.61753 33171.05671 38238.10266 47028.15117 52919.11395 55091.96534 39846.28889 41910.40709 44414.55926 36211.68313 37592.63531 36802.42025 33596.65562 58161.61345 86546.35958 44751.33284 66087.32541 38596.38407 23996.96969 43042.85578 58386.11858 37084.11185 46651.23723 75373.48854 45131.38624 47529.74022 44585.62814 47824.74481 49174.29746 53512.82032 34301.99743 43089.87308 PC 37:2; [M-Ac-H]-@7.16 77002.92704 135277.6431 99500.02493 63368.49969 95500.95367 110791.8929 92723.21487 99988.59271 157176.3185 105713.0992 206677.6441 102770.5435 80099.63635 146652.7087 105967.7816 138075.3422 81020.24253 149564.659 169302.3302 134831.2568 107354.462 139307.7943 159910.9945 172543.9149 147648.1192 147759.1188 152481.1074 77329.02208 140811.8187 139689.8239 128920.4047 134354.1797 160554.0747 90728.56512 112574.9064 128862.0711 104924.9094 142766.2193 207150.914 166512.4019 223724.7176 234710.1457 228472.4063 258916.5909 203773.837 232633.0491 135036.2109 164677.2518 117299.9842 121224.5936 241523.2722 174528.4648 122146.7755 133328.0862 182260.9619 174619.7764 254068.6163 84957.73705 241716.6076 PC 37:3; [M-Ac-H]-@6.71 34181.23563 27102.76952 11670.78314 16604.74731 11523.57457 23994.86384 7862.934977 4368.021627 16910.52535 21500.26588 18537.4506 18328.46854 19698.4864 18765.09001 11272.68126 33114.37491 20849.26165 10506.41871 13867.57796 29465.91208 27420.20681 48899.87103 19407.98645 35420.38138 76257.76785 18686.48102 34421.49414 40211.37976 11755.81987 34826.06278 72309.17502 21578.42434 78181.3031 42189.42222 51091.67377 28552.49499 33928.50941 30177.69551 42457.25729 26069.69032 40583.22823 36359.78605 82793.99663 48147.8815 145722.4911 20440.88202 25287.73418 144979.238 20452.25409 92770.29415 110186.1232 115443.5434 35944.84729 28158.10522 53283.04929 94894.80696 124185.5122 11115.85755 48542.88126 PC 37:4; [M-Ac-H]-@6.59 83163.69839 81566.37898 22067.66853 36389.65665 22570.27757 61731.97702 14811.12285 5468.934658 57433.74932 40420.76092 47244.62532 34384.88995 39531.32554 34487.73264 42852.98269 61591.06876 47696.37746 25940.78827 29827.75464 38339.9748 31665.04768 53318.94887 29000.39054 36746.66509 76173.02438 29076.82312 34733.23526 30050.43492 48129.4291 62272.36154 54091.16991 34652.67953 103881.6041 47045.68769 58389.44536 52996.80661 55410.72059 44475.93545 82912.95433 49479.2632 79818.27879 62027.86159 175118.9874 81279.36887 282488.3277 58583.6149 25914.47033 238141.6486 48029.36825 187229.0596 110908.9404 198403.7149 94557.18865 42260.19165 98053.58672 206132.6669 143452.464 42171.28806 69485.45569 PC 37:5; [M-Ac-H]-@6.09 5469.65337 4671.498617 4568.062016 9941.537313 10930.55986 7091.928338 5101.937751 7864.188237 8407.17235 8135.165078 11373.0604 3694.138518 7622.863026 11072.99828 10020.8994 5008.065386 6514.158294 9463.710616 8955.371843 14197.64696 2262.107562 17175.73447 9670.230408 11360.37759 5255.40206 17581.63816 9893.929697 9115.149018 15668.66144 17421.01342 25408.33249 19530.55848 19391.88313 16476.56536 9579.6284 8750.272665 10758.6861 22044.18656 33114.4765 9351.073714 46908.0487 58301.36824 20086.15739 14077.58511 35935.00193 19483.56259 18428.18024 62551.26547 11690.21726 42483.50257 33802.56683 25824.10545 30514.55304 25339.8073 34879.05727 40913.48009 30935.4673 11242.81285 35765.35596 PC 38:1; [M-Ac-H]-@7.80 10507.27192 13422.68983 15112.11758 10122.53336 16778.69814 16296.24945 16571.23209 13270.61232 26205.49893 16207.21165 13806.21551 13833.27802 13817.77178 24265.78807 26038.036 17864.65677 11020.85082 33459.31701 16675.37593 21899.17714 22614.37961 24904.483 14460.03991 24759.26353 26608.46368 28926.44078 20031.14323 30137.51431 21266.0194 24802.37318 30100.44209 28405.39695 23305.88961 24116.71653 28456.58909 18813.35527 33386.61334 32313.4738 55708.59819 15723.78633 32016.59183 26696.86561 28064.02519 30372.9031 26933.13945 22976.34009 16809.26735 26019.72534 17384.15333 24645.28631 30343.76686 25549.94672 25842.62885 25845.08627 18203.19302 26767.57093 27596.67753 11526.80078 29835.11063 PC 38:2; [M-Ac-H]-@7.38 90131.0598 157633.5041 92666.6251 94745.52953 139082.4873 206118.9174 135680.5011 99310.00121 217735.1284 235872.7498 182215.6156 118646.9689 144269.4341 198291.1582 169851.3963 227196.2366 98199.1718 199845.8568 267743.2294 184707.4482 184753.7034 170596.0174 155516.3973 234046.9692 219675.7352 189467.527 204787.6044 224300.8738 198144.3629 214683.5441 329038.7504 252537.7976 279170.5617 236794.6705 292867.982 210617.2115 261739.5037 231882.9396 279271.2957 212053.6618 247394.1442 353200.3109 308923.7445 376718.3362 191170.4938 174843.666 204789.0261 379702.182 249262.5695 267992.8992 371166.1788 294595.7284 233037.9468 277548.9842 206543.436 334628.904 471959.6478 103650.0098 303543.3071 PC 38:3; [M-Ac-H]-@6.86 167822.2314 126791.6066 163145.4817 108005.3542 92880.46155 212378.806 161151.1726 99693.14071 197378.4524 141556.6659 167153.9056 111050.0948 152882.3258 234747.4914 149180.7361 192829.8603 102352.6165 215374.8574 206283.7797 208755.5479 181117.1398 194499.5824 114049.9786 212930.0914 254607.3119 184825.8615 180802.825 196926.6431 191286.7832 246606.3413 375640.4169 166049.5881 242710.1497 248154.5812 217541.3696 257002.6226 216330.2512 272514.7577 375367.2443 227270.1194 334094.1708 384251.7875 358727.2794 421689.8294 263324.4471 276412.4372 159899.0503 397810.5122 202015.6791 261691.9686 546451.9887 273875.2466 242147.7602 378186.0976 260045.4598 210037.3763 520538.0025 80388.49144 230682.926 PC 38:3; [M-Ac-H]-@7.13 167822.2314 126791.6066 163145.4817 108005.3542 92880.46155 212378.806 161151.1726 99693.14071 197378.4524 141556.6659 167153.9056 111050.0948 152882.3258 234747.4914 149180.7361 192829.8603 102352.6165 215374.8574 206283.7797 208755.5479 181117.1398 194499.5824 114049.9786 212930.0914 254607.3119 184825.8615 180802.825 196926.6431 191286.7832 246606.3413 375640.4169 166049.5881 242710.1497 248154.5812 217541.3696 257002.6226 216330.2512 272514.7577 375367.2443 227270.1194 334094.1708 384251.7875 358727.2794 421689.8294 263324.4471 276412.4372 159899.0503 397810.5122 202015.6791 261691.9686 546451.9887 273875.2466 242147.7602 378186.0976 260045.4598 210037.3763 520538.0025 80388.49144 230682.926 PC 38:4; [M-Ac-H]-@6.75 326086.4262 475414.8299 348257.0953 536216.1142 346105.0612 326805.6707 300108.3698 435930.9584 927190.1729 299886.0047 917356.618 478412.3219 379214.0372 580414.8612 492998.1977 391628.9326 787450.8991 666571.7104 523269.0163 422366.5364 325277.1402 487893.7829 290718.5683 534096.2186 403742.0403 378492.1708 266344.2855 286377.5631 543112.0289 625384.3709 877599.8076 588032.593 785406.5256 567332.2008 467161.9765 446509.3131 698227.479 606971.0793 980069.6309 451229.0407 1207840.994 1404834.119 1395587.601 632320.0634 1576357.266 888657.7349 637140.6966 1775209.832 270911.7396 1028045.613 1257047.2 935002.936 1435721.325 977335.2911 820844.6261 1028132.536 1073079.465 412058.7026 1760609.575 PC 38:5; [M-Ac-H]-@6.26 196091.7918 184891.1725 102969.3948 103346.581 88945.12083 150665.4239 80507.57375 68514.03457 212748.5456 114209.5703 191147.3766 114478.7012 175817.5048 135625.6195 180897.6275 157983.306 119648.4515 153070.4563 196512.0472 109972.8991 113569.1836 159907.13 93528.04034 169068.5165 160075.9363 160089.9249 215545.7574 196603.1605 111021.1214 397868.0872 516378.3809 195425.1966 413870.0053 274490.3008 149527.2711 367398.9205 184980.0816 273607.1083 297197.4591 146360.1284 327104.4659 262080.459 735478.9542 345495.0575 677148.7409 165146.7986 145328.5947 613272.6933 142256.0327 573457.522 640967.5248 343624.7838 437457.5166 365984.1012 335275.8544 323126.2724 955750.9674 153775.8511 543711.097 PC 38:5; [M-Ac-H]-@6.55 196091.7918 184891.1725 102969.3948 103346.581 88945.12083 150665.4239 80507.57375 68514.03457 212748.5456 114209.5703 191147.3766 114478.7012 175817.5048 135625.6195 180897.6275 157983.306 119648.4515 153070.4563 196512.0472 109972.8991 113569.1836 134995.2425 93528.04034 169068.5165 160075.9363 160089.9249 236629.7606 196603.1605 111021.1214 397868.0872 465332.3816 195425.1966 427267.2895 274490.3008 149527.2711 367398.9205 184980.0816 273607.1083 297197.4591 146360.1284 327104.4659 262080.459 735478.9542 248676.5275 677148.7409 165146.7986 145328.5947 459430.947 142256.0327 573457.522 454870.7836 343624.7838 437457.5166 365984.1012 335275.8544 323126.2724 641774.6656 153775.8511 543711.097 PC 38:6; [M-Ac-H]-@5.98 149595.8091 127042.5259 77958.60726 72183.73065 84605.12153 183771.6027 53283.4985 46717.42824 150222.9096 84558.37847 89996.0552 94195.85631 171597.648 108665.2634 154396.0143 141134.9092 93925.49386 133302.1809 129497.3915 45354.88317 96623.38521 108253.9952 116858.3631 84820.41985 170538.6873 100129.4797 180094.2096 63203.4556 55992.06279 248048.5984 257510.531 114782.5043 109648.4644 134251.2732 86498.43723 170940.9148 163046.6774 127246.4311 106500.2044 127103.5185 134788.8647 245731.9959 556815.4888 236434.7619 190532.138 61352.94465 92290.49079 383324.0116 135044.502 288304.3629 234875.7685 364420.5857 275379.3962 154043.1357 244512.5039 233658.9782 309521.1775 115293.5708 221572.7655 PC 38:7; [M-Ac-H]-@5.48 17652.84545 8757.167443 14231.19215 5680.40189 13040.57719 23694.226 6189.746221 13237.49033 10952.2673 10575.25771 16833.39222 14591.32028 16524.10847 14986.191 15188.42639 13551.54497 7386.687974 14391.96365 22067.74032 21723.84062 18277.80744 32390.29656 24198.63804 19767.72516 28950.8788 27387.34113 19293.27765 13013.6506 22256.49344 19745.88278 21546.39175 10722.19923 25762.01493 22326.46275 10502.727 28255.5825 11803.97072 28396.72211 33009.03757 20370.43664 34754.89091 35704.05772 39122.68637 39529.18641 13437.55137 29914.34518 19318.0953 50562.39184 16021.24699 18305.00932 56820.15351 37715.1052 27764.16298 19624.94927 35167.81429 46106.96293 50661.67725 12373.0452 39133.32221 PC 39:4; [M-Ac-H]-@7.19 26247.08852 26491.69108 16534.83697 11959.36894 25350.6142 21490.20444 22818.38649 19279.01571 33536.11738 15906.31309 32252.50872 16784.26949 17667.9822 32582.52397 31847.85309 26979.0386 15793.07483 27131.80789 26208.21279 14889.03508 15835.71569 15159.06044 12427.00189 20602.85968 25239.69584 20822.45745 27185.8546 15313.23841 15170.09253 21337.99186 15295.6199 15580.7149 14104.57778 11716.62391 13886.26076 11973.83122 12505.56676 28827.43995 44481.32259 17501.55153 38069.97988 33849.64923 39110.00145 31413.81513 28159.16203 26293.5462 15606.68186 22199.09955 19524.19723 25243.70501 21466.91743 20663.35856 25834.42116 14099.66915 30347.61683 22659.97616 29739.79347 20117.5799 43569.58054 PC 40:0; [M-Ac-H]-@8.71 881.7952547 2776.857295 1226.652146 2368.588645 1335.472949 6904.065258 689.5883124 850.4542814 1746.363204 3485.754229 1150.307963 1094.900678 1480.630542 5467.108398 4849.878256 4043.684859 1229.035236 4518.17229 4512.134986 4070.86628 6236.159911 4521.90376 2078.742763 1581.313796 5835.516818 4779.752046 5227.288882 6515.64864 4590.882234 11777.1663 13474.28581 5760.543805 19956.49742 3886.649665 2015.810815 9514.423443 11438.69556 5728.314175 3465.442315 3157.839174 8051.823627 2470.505341 10985.87449 1671.26456 19750.96311 5055.687734 2656.275408 10505.56466 5381.685389 5631.758668 12439.0739 8637.407944 8850.742618 8135.873707 3497.712485 3924.080524 10160.67186 2313.914107 8836.082957 PC 40:2; [M-Ac-H]-@8.00 3685.061884 7343.393164 5182.787645 2562.058966 5099.063575 5859.856943 3547.449663 4354.193698 15533.98012 5236.194159 15057.349 10355.06217 2041.766749 9070.675606 9814.848688 4755.31685 5983.878548 11173.32135 7456.177717 8476.363164 17605.72018 12141.51701 6806.39331 15340.54406 11242.23054 13335.19567 17615.40225 22792.36703 12763.52295 11797.62598 10521.31028 15982.08043 15350.01742 10800.44148 16306.3715 14592.95881 18388.76587 20680.16091 22735.5668 9317.495367 21076.92828 15448.86127 22099.9894 12695.72857 15140.32001 10114.24703 3490.756039 16658.28766 6803.831399 15365.97696 20871.17282 14113.15431 11487.12945 11595.88909 10792.70655 11126.95672 18891.10121 3967.267011 15786.15619 PC 40:3; [M-Ac-H]-@7.60 16788.78094 21300.0221 10631.42301 11497.85627 8400.378813 13906.69726 4741.884254 881.6457543 24488.6881 13400.42485 742.3821362 5002.415147 12821.44795 7053.101783 5524.812014 19041.64228 9914.211453 6611.599447 8838.179494 16602.73186 15333.13363 29346.54367 12357.66702 25631.64213 46050.61325 11394.70913 24803.1927 24497.01315 11388.16209 22150.45534 67221.19031 21157.13376 46856.71987 35066.74519 63127.14915 18975.88983 15019.86344 33168.44019 20734.87948 16325.88321 23663.86258 31520.51073 57788.24382 17257.02058 73299.08467 16253.50871 9175.787666 106156.7664 19076.59349 77218.24314 36346.08265 58991.84448 40815.1739 19618.94427 18194.45305 57124.01412 73807.5634 9695.821693 20261.96773 PC 40:4; [M-Ac-H]-@7.30 53859.6051 57943.55624 35006.33855 33107.51329 64163.51561 55788.64558 42206.87857 45493.18995 87121.36314 54847.37311 84890.52758 57410.95919 38046.49718 57753.9219 62603.36562 82798.30105 33508.04711 57892.84047 103780.5805 57751.17968 48093.25096 41080.69566 65386.63803 65167.41319 72408.12368 57516.90198 70836.44664 57817.76412 79911.24903 84382.28687 89213.60774 62314.11544 97430.42104 77996.1107 73568.11534 71418.43888 77741.27238 106216.0957 113433.9448 72332.37096 99871.21665 99496.25767 120537.7074 96333.05391 104184.0791 108941.2469 57463.53482 109895.8386 86774.40448 99156.02393 108876.9871 87573.50077 84064.61506 134244.9426 68451.96184 89718.76193 133296.5754 48848.83154 119546.8215 PC 40:5; [M-Ac-H]-@7.01 97994.52932 44863.03392 36600.97083 40374.30299 31091.59182 54335.54055 29279.56493 29027.40831 102238.2683 43182.32326 96612.30037 47457.01163 61403.30104 27019.6968 59472.61715 64423.31862 33536.83519 69337.14779 71336.91758 22746.12587 25515.69786 32746.04421 31089.97425 53036.08525 73918.1984 37061.83673 38814.59185 53794.25163 46381.10374 102625.4316 83396.74587 45101.67636 86069.93082 66213.09403 38911.10002 74271.62755 72379.87835 98014.07962 54916.12379 45146.4189 50165.4763 62876.90466 67761.8521 46197.25211 208024.9011 26838.38974 24825.43902 87404.3317 46056.34937 116628.6677 98235.68802 109038.4408 130121.1146 84745.74505 54082.94339 59664.93928 171334.6291 46339.06816 130577.4508 PC 40:6; [M-Ac-H]-@6.56 31348.53877 31522.99475 10373.66262 13967.19535 18635.39738 37813.71819 7021.267217 3388.590721 20086.64611 7999.986932 16717.81867 12429.26063 16585.21327 18444.74508 15001.70872 48854.90533 19923.80589 14012.16192 17482.56441 32990.69623 22634.3969 27356.28406 14718.95211 24637.28608 58137.89659 13884.10604 15404.21186 19197.26349 16031.58308 23827.4357 64328.63027 28079.20388 59581.59527 29364.93567 28579.84989 24859.83575 33237.83499 21021.83171 39478.87216 8402.14075 45584.86119 25484.50226 56420.31822 50177.26907 156247.3942 18069.70463 10504.67924 127823.2253 13983.37397 126575.4739 72874.81107 104744.7591 57459.7183 25753.66881 39226.43638 57928.18383 143822.9527 9942.400818 25753.99832 PC 40:7; [M-Ac-H]-@6.11 16960.17709 11016.89798 6340.805682 12308.1785 5856.085852 17552.71788 4730.986234 8042.024066 17305.46707 12840.26179 9907.584017 11566.12369 20677.69204 13431.27195 14176.6195 13366.94344 6659.2684 11425.62242 12750.80977 7357.08474 21506.95067 15106.54831 16521.99478 18702.77396 24802.576 15222.22007 22689.09376 15102.37897 7722.004606 32886.02999 45516.72242 17035.93196 37126.48288 32236.16126 8566.251651 23291.24467 22728.41975 38659.59008 30231.90087 16993.45628 35512.28871 29737.62762 61572.23028 35677.25897 38640.15384 15429.83577 13322.66682 59501.95408 15276.41156 60660.72886 68959.37376 68638.90905 44722.80854 36394.38161 32073.13124 29210.61726 88294.54072 17863.87039 56017.75187 PC 40:8; [M-Ac-H]-@5.80 15189.13418 22034.91175 24198.50146 6560.251791 25921.70974 25318.30709 29811.01229 73454.38056 59185.14871 25917.04077 36592.09721 37810.88654 15116.91853 14255.80742 57237.02593 28940.08849 17163.49743 50594.90419 30689.57748 46103.92046 20625.81679 29598.46938 58843.31918 35994.28778 52101.02689 31238.21638 85804.2655 58458.44451 13175.10883 70010.73794 87109.64443 3454.610875 117712.1091 62387.97892 32397.99929 13399.55343 7749.68542 54275.862 40992.61718 46064.37534 50872.20129 70461.616 31392.38326 49318.77925 59612.34903 27179.43794 51017.50619 98358.99554 50037.70348 55003.89904 78125.84321 54135.95018 58341.49445 124875.4186 31244.82632 43279.05568 56075.64125 24642.32507 37643.26931 PC 41:4; [M-Ac-H]-@7.56 829.0467348 8866.541259 4154.7361 5340.2018 2415.822329 3481.781572 2622.176798 1449.427365 4149.25262 2820.358917 8740.038519 4164.589819 4250.416756 7931.144999 4445.338743 2256.983471 4108.56698 5046.553362 7222.446417 7985.670834 2703.337512 3323.978054 2393.930936 2646.988074 5438.251912 4352.045262 6942.294414 1852.626546 5540.101551 6186.987356 2389.441128 303.4540062 4873.768413 1243.231389 4291.147166 4548.511138 5824.023824 7238.599071 6327.038108 3308.754128 7033.241729 7072.146777 12091.24664 6957.581411 4185.839452 4463.717342 6661.194354 4584.624865 7234.338234 6538.091958 3922.061811 2807.582293 5179.563664 5467.354306 7877.445584 13657.47994 5615.413709 5367.25064 5558.463355 PC 42:1; [M-Ac-H]-@8.85 2364.204643 3374.538205 6097.183133 3694.829746 2643.56951 5335.748826 2841.399457 5786.924752 13739.21716 5236.889341 7849.115733 7286.605241 3823.954845 4520.334965 7127.720239 3227.117698 3020.129817 17277.38364 1843.043946 24467.16803 8983.560695 1062.852254 4819.206163 6467.791416 4705.596471 9963.961693 12183.16108 5236.286195 14899.44252 15257.68594 16473.10681 11680.48143 20184.20012 18237.60993 10196.63235 7423.669903 21864.39437 8551.996032 11628.01093 3000.750357 12604.63919 18524.97699 4742.700753 4870.544053 19001.41415 4987.806084 5244.502276 31130.13568 3090.939838 20525.17739 13331.85382 6386.695212 6818.87753 7635.606085 9851.95317 12486.58295 4128.15048 4895.433235 10768.71767 PC 42:2; [M-Ac-H]-@8.52 5238.049637 9700.89039 7090.647965 3517.866888 6108.706565 3570.329682 5112.261635 10524.74453 26504.58856 13482.03455 18578.6625 15483.63123 4382.145065 12930.15559 11161.56657 16746.25705 3827.587729 15162.75342 9564.714962 21590.37789 13663.24319 19450.26415 13908.90301 11475.83292 13680.04037 14894.92082 17689.87425 21033.84053 19479.77686 17262.05193 24920.71274 17169.36446 31969.49668 19049.96222 13882.57562 15865.86378 30313.60545 23289.43538 25059.12352 11387.12905 24772.63742 29519.37976 18188.41573 10577.19737 27074.61246 19785.95547 16389.4549 13855.87706 6743.250006 21158.63784 15709.0919 12021.24576 21229.00822 15675.49742 20888.03671 25926.48468 16303.08706 9293.821117 19472.32886 PC 42:4; [M-Ac-H]-@7.75 421.890656 5628.105347 1363.802238 3023.813393 3301.170249 2481.488351 1174.473216 5611.386674 8223.955426 4681.104154 2822.612164 2741.278962 3463.803856 3773.19623 2867.045907 4901.698529 5203.217628 5388.438062 6321.853369 5989.555402 8147.516667 4340.854583 6790.408732 7935.506668 8710.297524 3606.526749 5523.941063 4725.201428 5064.423413 12973.40945 4356.063144 13025.53879 11121.40803 11880.39069 5898.009177 5949.618128 8020.890545 13898.37798 5100.079008 9298.012175 7927.012437 9054.661837 7282.634496 4642.295143 8234.679831 11255.94612 6969.14373 6688.967407 3360.309093 5658.363011 11352.75608 4566.640152 10202.09509 9731.828208 8742.958493 8459.84052 9298.044623 2685.182121 11209.03423 PC 42:5; [M-Ac-H]-@7.43 4605.511528 2533.276502 2368.888472 867.6088525 5953.392013 2368.038337 4462.147597 3680.003625 6892.231433 3813.118402 9344.76427 6481.256348 3299.999088 3792.321327 3075.494783 3888.010854 5862.499887 7494.974075 6757.867023 3030.41746 2309.454429 3466.262891 6958.99564 6759.683271 3391.547159 9860.353854 6699.513076 8112.565591 3358.486595 6035.384895 8489.439933 9819.274808 6328.275165 5480.302028 6355.734862 4759.201165 5123.177945 9383.672257 8080.712809 3625.757635 7430.522922 14344.77166 14681.03156 9392.497087 6217.932968 8648.816804 6418.481523 12991.43189 7927.231999 6382.936267 11505.10482 6086.088666 9792.193464 15283.47786 3286.296818 15243.76269 7591.426128 2615.933018 9395.556768 PC 42:9; [M-Ac-H]-@6.14 3545.019991 5190.614056 2142.804864 2090.515438 2182.756289 5024.93047 3550.490378 1992.292334 4850.838163 3006.578617 4502.480941 2470.119449 2498.00978 3174.243239 3944.124594 4765.412723 1821.706678 3403.699975 5294.059782 2919.651671 4624.304782 2427.310003 1220.626292 2693.519553 9476.425087 3403.983454 3809.247686 4014.405634 2307.182653 7742.364047 6610.03971 8139.587871 8783.859452 7215.086435 4753.032297 3409.863071 8341.654628 14175.39374 8499.552776 7775.887011 5656.686426 14125.43619 12043.99522 6241.139286 3897.806232 2853.788394 1939.085339 22028.50879 4425.486002 6394.525065 14345.50906 6969.13452 5851.627767 17669.69211 4322.491375 5746.763008 13055.96291 1394.059079 10765.3736 PC 44:4; [M-Ac-H]-@8.45 10446.08371 10377.53954 830.8154864 3165.392523 2393.429201 2887.49549 526.0326438 921.3231275 7600.91269 2790.516665 4351.492106 1733.161105 786.7946287 5723.377365 2545.479983 9864.031991 3296.74532 3161.686875 4231.926399 10083.54266 9632.492327 18530.50666 5981.975127 20436.69886 18973.99098 7985.732379 9452.38907 18584.0848 5967.466227 16331.73947 13442.47922 9128.003456 42032.45512 12279.9883 24077.15061 3647.677879 18607.20622 14926.36661 19314.85014 9328.723032 13948.95712 10946.79065 30077.69417 7864.060413 48801.69634 16900.50809 6208.461377 48623.97093 5594.002896 33824.98139 17276.70358 27297.47109 14626.9807 6700.050968 16106.66578 25102.21737 23231.42093 3590.372274 10790.72877 PE 30:0; [M-H]-@6.12 507.5871094 1385.435797 2318.579355 150.8771716 418.7345943 678.7958842 2515.108855 2928.380691 5370.237173 411.5810279 5016.80125 607.7569111 2740.687577 2989.039673 4189.79608 2942.741658 796.9817068 5006.332215 3211.746113 3041.154331 344.3661953 4669.481731 2700.178026 58.32379264 2560.100936 2197.011912 2817.553316 2998.983173 3556.353262 1184.502472 4431.21752 4362.271436 955.5827797 910.9366939 921.8690533 1206.931395 1564.714482 357.2770385 3499.608635 984.2436785 1137.485962 1376.511199 7178.939713 4714.818022 2124.897138 320.3018195 3808.193179 11632.08893 1384.790753 473.9039448 1021.034192 1714.592535 4448.054793 1980.927665 2565.802964 3259.801803 5379.945444 2679.795253 2887.490233 PE 32:0; [M-H]-@6.71 881.6272182 3869.203755 2433.420852 3678.603517 1959.428284 4638.715707 2097.258929 427.0947563 5305.399747 5669.942021 2742.962309 1826.251881 2754.231097 2356.729956 4458.271371 4921.709382 2029.837814 4641.528746 4476.340052 1954.074506 3865.63253 2377.348211 4821.293385 3492.395246 2262.406992 3349.347228 1005.390978 3920.376137 1496.277923 3042.832301 2630.884679 4276.133513 5859.519307 3861.180909 3995.447505 10159.97532 2797.865265 4838.573542 4975.4801 2983.977414 8438.581671 5138.1259 3272.76168 7718.486067 7862.64832 1982.011143 3877.955762 6648.190757 3071.753485 5494.850907 8766.141458 4601.3867 6354.557617 5521.939092 4401.25052 1915.463791 6289.031838 2554.28403 4634.48874 PE 32:1; [M-H]-@6.27 1448.293928 2115.865483 2893.832728 4729.924376 4183.252479 2501.609177 833.5871301 4089.126713 8529.036164 9880.082617 8018.822173 2563.123741 4432.492005 9734.553259 5967.378812 1065.543593 3985.582012 3917.327796 5138.785999 20208.22554 22223.60277 13548.93745 5296.388769 4053.935878 11585.20109 13053.61807 12001.01193 9464.167803 9239.242423 22489.21343 22653.00797 19071.23633 16937.04913 14029.40044 10691.2863 7199.549572 8316.705287 20567.14633 19217.09355 8601.921907 22524.75326 21294.91067 13805.11492 11884.17124 13357.43926 5206.311179 7700.947412 80066.87626 11381.38769 24712.62474 45540.64295 23927.11744 23789.17334 9989.711992 26257.54028 21047.18436 54558.14346 2666.285055 12479.04866 PE 33:1; [M-H]-@6.57 6583.434934 4711.340177 1550.978312 4698.748334 2916.723115 6427.749245 1004.260143 441.7187489 3225.382299 1342.578039 12036.29034 4083.417924 2560.812592 4035.101036 4585.889866 4541.881743 2213.198301 4754.299018 2498.638594 16327.93495 4905.977559 7858.877706 3880.502518 13447.84817 16909.52092 2523.715115 9588.043408 7127.770533 642.5354481 8366.986612 9605.710461 5664.375668 32899.5863 7285.78475 10824.5879 13062.60009 10460.20258 8444.997927 4075.494004 1327.624018 13800.75228 4346.219996 13839.97757 8889.004283 19836.77933 3338.151919 2727.363682 40922.28449 2593.870232 27473.71693 14870.50017 18229.42051 8414.616557 12685.3928 17342.34112 9070.892724 33125.07595 3754.575034 4242.584177 PE 33:2; [M-H]-@6.11 22099.82551 29173.00495 19406.60719 12899.73297 33072.11567 21771.1637 7657.745576 22470.61363 79094.34595 40393.76127 63040.79471 50274.63877 18843.74737 24998.14897 46590.13917 25106.7806 17352.56363 53261.6274 44275.54484 23775.09317 23061.99628 32101.57818 27292.89653 38720.88234 16455.89582 27452.90117 71492.33336 34964.17731 50659.59033 20769.8889 55526.80208 38254.55921 55238.8714 23305.78884 24831.58599 40614.70857 17307.10298 36671.02689 35535.19722 18099.64226 12481.37545 41054.20424 29269.00144 40392.53272 16827.68062 20380.36484 12495.86169 58540.01911 20625.42033 13043.10574 16850.42567 23818.47603 7700.048784 22233.37094 37557.33987 38094.51452 74289.56356 11503.60397 19721.82799 PE 34:0; [M-H]-@7.27 730793.6119 757373.3692 733064.9704 745323.1465 738121.7972 733141.5725 738679.6162 737292.7227 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14158.58021 924.1410117 16066.74883 11332.94389 7674.246925 5395.354204 9452.844822 24390.11139 10175.9269 15245.98525 4774.513245 11877.15412 15474.17798 11499.25332 8571.070243 20733.7432 21055.79925 6509.533716 5568.08082 43715.65384 51815.56831 10442.38006 13884.03195 22303.56194 12360.59205 2369.230521 24577.21779 6944.659365 9046.223255 30305.04083 14157.72984 25857.59246 12239.90815 16242.61289 16108.04876 19404.9268 12005.42378 16254.67888 PE 40:4; [M-H]-@6.08 7662.316439 7495.65718 2398.442315 3479.020989 2733.367436 2038.328676 1695.67873 6130.464756 11031.05495 4267.969921 6479.603574 3767.370399 15059.59896 6031.327628 12019.70645 4740.060081 5760.327161 7136.749962 3604.960031 3776.482168 4485.110538 4035.951922 4937.877785 5365.10802 6924.673127 1538.603277 6155.045394 1937.682606 2661.07663 5280.026331 24963.03538 5969.849022 10723.72971 3505.113683 2312.435914 2988.079652 3197.089057 13075.2527 5090.195738 7493.362228 3481.997043 3924.959462 8708.408304 4361.2389 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74054.3362 44162.42616 29605.53442 42346.01592 45518.43663 62793.84168 27642.86306 49578.10327 56857.48078 21666.28457 44554.53496 23482.86478 48945.13704 31523.6521 92711.13874 2009.392963 16105.80693 133774.5969 34397.49148 94981.35044 88105.65158 136264.1809 63203.69876 32672.64201 83172.70607 173396.2104 165295.3149 35591.61225 41185.31258 PE 40:8; [M-H]-@5.97 12291.28333 16053.3794 5899.869986 3858.90205 6818.702665 13410.85059 3219.059946 3618.113744 17595.91682 6589.708722 9530.743743 8359.968087 16055.75643 10731.66272 19424.86461 10472.71885 12637.00787 9693.90571 14575.45404 5682.106877 7030.524185 4330.911783 13061.30277 12551.62291 16614.39279 10959.74761 15726.36951 5729.078389 5878.185074 2009.284349 9061.196153 1361.484836 8421.120386 6794.800697 4638.301005 14825.94868 1626.311463 11173.98591 8311.962867 3390.942115 8827.459211 8300.875061 11308.10955 10921.3563 23130.85384 1807.727353 1820.300713 34943.57554 3745.030838 6376.783615 12966.41608 33178.04598 10668.92387 14478.39242 9599.936532 14831.54422 52385.70406 6131.936763 10190.12927 PE 42:9; [M-H]-@6.08 8053.172052 11481.0204 2920.384552 4594.595831 7184.284891 1952.040099 3690.495772 7257.410353 2520.966999 9302.970529 6707.18946 5469.504666 5939.259257 6728.915887 4175.668378 4651.289051 4311.242017 4583.905999 14740.61083 3947.51876 2528.783488 1501.389609 3680.967177 1381.143133 5955.111478 1166.750394 4098.270216 3147.704931 4782.571255 2219.328227 4647.089992 3211.040213 4594.062648 1679.644642 3761.277353 1821.805989 255.0161038 7083.950562 1911.664545 2436.213796 5611.743783 11883.64477 164.0992954 1657.29519 930.9279412 4830.624278 3598.938856 5626.457712 4959.484861 1066.312053 988.6249253 8245.198869 5323.682024 2429.37816 8712.218969 9006.34069 14889.17661 4640.738102 3149.270475 PG 34:0; [M-H]-@6.38 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 976087.3597 PG 34:1; [M-H]-@5.95 1939.618126 12183.54167 2637.004268 3454.317043 3130.204178 11409.03317 1955.739872 3312.281001 12319.37905 9918.138262 14662.81409 5858.171039 5416.816023 8458.392258 7542.525122 4189.210321 6272.763103 15474.03679 10977.40994 7673.969631 3943.103594 3163.106594 12436.38533 3175.77238 7349.362914 6827.392181 10597.55743 14526.78456 5164.070225 3608.337579 8749.71064 5425.175222 21093.29051 9554.153003 6585.689982 30792.39496 26511.12383 13476.61856 5481.21667 4198.086883 9284.743227 10518.00777 14093.96811 6955.611786 18249.52232 6071.224318 9478.410028 11966.37537 6498.069202 6635.868217 11607.77569 9791.857265 9479.976814 17692.35844 14251.13393 8209.193404 23477.4652 5988.85187 18546.14635 PG 34:2; [M-H]-@5.54 5356.213743 9516.264831 1373.814516 1753.10106 2283.014331 7624.002711 2768.091543 2552.541745 10028.43772 3881.860363 7905.292677 7384.253293 4987.969381 8679.424169 6261.838311 3479.03577 5566.709879 10715.28412 3174.539586 3104.934619 2128.821655 5387.223304 10236.27762 1999.965846 4003.495203 5483.601232 4038.140546 5432.152337 9123.753034 11389.08475 8654.264427 6642.577231 10494.967 15046.20609 5655.067533 21638.42311 20622.95815 12148.97137 5446.81404 2394.809484 5271.354121 5149.728487 18988.97804 1945.056149 19820.66821 2943.166051 2917.536353 7922.679805 7307.809158 1555.870044 3724.443777 6904.275081 5122.344293 13577.64026 19766.26939 7291.328691 16426.2138 2639.897485 10494.67782 PG 36:2; [M-H]-@6.15 19777.95044 37134.33919 27594.03415 21988.9789 71378.70658 32474.2481 36529.67186 49173.82685 115796.4153 32498.4968 59467.8836 44247.96234 41188.49914 51044.30101 69974.68649 56576.71608 51438.0094 51911.55178 39182.70745 56469.61276 17327.87619 33308.44528 26255.85889 37330.29098 9984.778977 33795.02674 61434.54801 33734.05702 59281.19745 58086.20068 64346.65471 53249.57146 79824.26019 51277.79059 35786.4966 34394.01096 32421.76996 50942.66704 36875.22211 18831.98591 26537.06414 63582.43071 30781.74134 31694.60331 19074.28751 26109.36986 30366.19426 39511.37375 27138.81695 26325.11797 6674.349618 30139.76584 24626.01294 52855.5611 32229.61549 54283.63695 46932.70783 16926.42136 32247.95433 PG 36:3; [M-H]-@5.38 4254.38795 5508.401761 3774.469333 3864.343021 3084.482569 5446.112366 3477.930468 8015.110706 11674.26956 2224.0976 7803.876814 3888.090005 2961.657514 5045.705987 13000.59985 2870.030116 9927.918259 18626.07298 5417.868697 8522.742977 6685.200085 7554.626249 3488.551283 8568.639154 7572.449096 7156.510368 7125.646 8995.858966 12737.3094 16726.2894 16847.40903 12421.57396 17518.40214 7074.199747 17402.26889 20094.78466 21542.38984 13510.46501 23925.8431 15191.85093 19701.40022 27532.46833 18451.34288 6571.540027 30491.24377 13065.5402 9567.949673 29755.67079 6078.161887 14842.20583 17682.21048 8121.691014 31228.65608 16010.31306 15296.61318 18306.14201 16338.19576 1995.479709 31427.48571 PG 36:4; [M-H]-@4.94 1848.819283 1476.94077 823.8180038 1458.935355 1400.653178 3088.690213 856.4729113 6596.183253 8628.502204 1857.387383 4782.433919 2706.05832 508.2444153 1121.027287 4729.083392 3031.594857 3640.657414 5587.365824 1648.518346 7004.929205 3524.907333 8824.202508 1250.185958 2547.908908 4908.374532 3391.002632 6760.245015 2903.925548 9333.365529 9227.476003 6773.448211 8798.699245 9005.880887 3717.799758 6261.355376 8306.320742 7761.890568 8589.206367 15205.61168 4465.517132 4969.155724 15801.19796 16230.78423 5855.374229 20966.16983 4584.396166 3378.000599 12022.85678 3202.646529 4042.653736 13074.9283 5725.832106 3433.097038 8309.85004 9163.446188 8429.360497 5226.983744 2161.267328 19682.14598 PG 38:4; [M-H]-@6.13 11299.31568 6005.678788 1911.558755 4195.684294 7899.825415 8406.407854 3143.837918 9390.657677 15053.03368 5068.079824 13841.27652 10520.5413 6254.753287 6802.566681 14071.1937 4573.332727 11492.67169 10017.86225 6438.368783 2762.365701 2223.070032 5226.99336 4910.062277 8591.104496 3042.399421 4432.368265 6180.430312 3983.066524 11702.20608 15944.81388 11021.17902 2808.924091 26211.76063 16534.51955 3612.369105 6932.639847 1774.571579 6840.189421 11263.01288 407.9831478 10535.37862 6349.36357 6801.082962 1769.129992 8558.973624 2116.75388 1695.595425 3763.587032 1707.164657 11492.354 2886.943994 11049.12792 2069.80034 6790.990731 14554.29366 2858.099257 16620.75952 5888.819165 5969.801521 PG 40:3; [M-H]-@6.11 22358.15807 27279.76051 8587.10352 8903.364938 2994.667272 10717.16391 6053.398283 5433.049761 28025.05709 16172.12725 35788.19578 19315.56878 16728.56283 15639.26727 28297.39885 8286.893846 15336.32482 30001.65807 6572.964825 21409.84886 6750.486612 14346.36425 18388.63972 27821.2746 19719.05533 17608.38773 24096.0069 26633.722 21249.95887 30221.33141 34242.94532 41279.00749 90434.24846 29941.29929 12044.34902 60518.21319 53333.23326 25884.03206 31505.15425 41578.16254 32131.74765 48184.53714 77885.63615 26901.41742 47895.54774 18402.29004 26764.08685 68813.9102 46703.69187 53870.85829 29265.20273 98900.16935 41189.49507 44796.38361 47115.62759 54497.77314 40344.32399 20277.12923 44700.40358 PI 34:1; [M-H]-@5.78 3370.028927 5177.409497 13143.8408 7554.897012 8884.454321 8599.960863 11620.66161 29548.59948 8969.471224 5915.517426 15545.55703 14128.99575 9409.81299 9272.146616 10903.66137 10724.29183 6794.597333 22277.55783 15142.67617 13472.11106 19327.27195 13464.48202 9130.502929 14031.77139 8408.624822 8232.451266 17421.37853 13703.7353 15089.09828 14402.60355 30999.26794 24910.30951 25303.63489 15721.86692 10804.63446 12292.40145 19451.91902 21372.02989 28116.81116 30503.1505 32915.63769 38992.26757 16665.60199 36390.15396 23361.28249 33776.84701 43792.3387 23804.83691 10582.05822 15652.77473 56710.57342 14397.95182 31319.44591 61114.36919 23240.6048 18268.68658 12675.48813 5701.914245 22864.34602 PI 34:2; [M-H]-@5.34 19629.09729 23369.25257 8615.684427 12561.14559 26699.25327 20866.84111 12868.19617 22643.29475 37331.06352 20562.13353 21908.02318 28789.74888 9766.214287 18920.61577 23444.06638 27737.55744 20471.1412 21432.07068 15754.9816 77436.71151 37778.27569 77812.1095 50003.45749 97487.33461 62207.30807 42592.41307 77362.21852 81667.64246 49565.62137 92606.83994 137057.018 86546.35534 149918.8196 93438.75565 87601.22598 58794.12284 83198.1905 63356.54109 70392.22401 74392.94454 127184.5733 142003.5745 236334.7279 130732.2567 285154.0159 68676.17376 104095.7701 396521.4324 36552.80376 73491.40453 169395.3515 190483.7035 124978.8369 189006.876 119401.1693 154670.388 130966.1212 11004.25565 104044.8887 PI 35:1; [M-H]-@6.07 8685.313205 6668.551467 4940.632717 4459.846698 3437.091128 2447.279241 10212.78368 34242.64888 18618.90272 4129.598349 9678.320109 18208.80817 6674.291206 5549.394411 20833.85869 4725.103465 7085.335909 20272.69052 11562.5459 15393.79927 7628.728646 11562.75313 7139.919081 12003.09058 10093.4481 17505.42842 15645.96096 21045.67302 3927.587579 13696.12643 34696.59205 17936.54322 29505.57952 20978.58017 6282.641891 14358.71816 9845.823431 10414.14412 9791.015018 11957.64429 11624.65197 23655.0672 33510.06257 13507.3222 20952.71499 5296.90987 7454.92169 33843.88318 10650.98034 14356.94635 14442.35533 30687.85946 12826.65157 29916.3292 13650.25631 8871.490912 25778.89325 4993.442651 26261.91693 PI 35:2; [M-H]-@5.63 2322.986624 2345.983084 3510.988217 6016.024874 12265.0241 5168.488127 8779.68024 38783.11968 7137.892329 2096.258991 9672.075001 1574.807394 2802.076668 7929.633765 6571.071642 3739.328626 8399.674102 9265.193976 7581.87642 14929.21645 6446.85668 10814.76516 8542.820808 8194.906752 5057.116791 8715.818901 9329.573237 7232.284018 9554.869798 7832.677104 9728.98582 17475.32617 7285.401073 5949.615517 5105.317554 7360.906848 20573.78256 11127.85686 12198.89325 9272.341319 27533.99646 45597.67077 23908.87935 13811.1538 8562.870963 24764.89373 17367.03032 23058.07924 5578.353651 7106.319971 13605.75536 5631.621148 32800.12016 23427.16619 24310.57689 11503.35913 14491.54922 4909.633977 17740.31409 PI 36:1; [M-H]-@6.39 10781.40346 13622.08356 14673.97154 11094.10256 14453.0079 16826.17395 25595.44321 72918.0856 10345.04072 18863.62851 9427.689921 22414.62147 16785.8706 24489.4323 15241.86465 17775.26069 13986.3947 28229.97008 23778.49509 41203.32065 27826.26087 32364.5799 27696.79249 26070.97439 13699.79891 22148.29945 15105.24137 16177.74932 16848.44389 15769.04973 48593.40626 83244.53627 50946.06659 22784.63552 25812.00507 15858.85703 34060.06945 17003.40595 91998.13525 45781.53604 73910.87712 87460.08655 47288.6287 68266.83788 41118.51447 72949.91637 43938.37387 76499.94842 22960.34611 20146.17575 54813.44755 28051.23328 40640.9738 126394.4363 23964.45028 57054.14566 28795.53305 8927.597429 61514.06771 PI 36:2; [M-H]-@5.99 22682.36523 38268.5309 62611.70089 64649.3727 78180.16762 46318.61889 96471.77254 488850.8577 127188.8 60591.31273 141794.309 132751.1081 55856.25992 93889.68076 87881.16237 33729.17681 96342.05065 222293.11 119753.54 416195.938 123130.9316 321197.8798 125563.5026 310574.0897 91205.29259 242126.4779 167713.1256 231389.1377 197573.1263 263230.744 388144.3824 341771.4016 625716.837 185181.938 302893.4163 205178.6652 386955.479 451152.6838 498249.0206 391788.8281 891036.6773 2080320.865 613903.4335 356228.1769 957399.335 610451.7953 397307.1889 1033714.865 165497.6177 337878.0407 565947.1727 325051.0096 657123.6314 1742190.121 421129.1914 265474.1312 556300.647 58037.21381 547993.1202 PI 36:3; [M-H]-@5.46 18285.57112 25159.85783 29126.14924 18568.28291 51322.09109 18187.50941 40358.69039 114148.7529 41063.05085 28495.67534 43919.12416 31968.10636 13209.46177 22781.84253 25102.28403 20927.7071 19235.71561 58835.7487 38817.24922 51894.82932 59957.30754 55788.64576 43924.82476 43535.77769 34183.90847 46129.22437 45416.79331 45609.03035 46511.3285 47747.38455 62068.42344 52156.31436 69281.58525 44890.52003 31402.64948 82980.89083 46925.84644 53017.13034 90424.76848 61682.56903 124478.0645 164538.1892 105622.3728 98449.27425 46295.56816 100088.7161 116425.9884 94478.25027 34763.67551 39286.03971 130818.7792 47010.31381 63800.93091 96624.62443 121316.8586 66450.47367 87334.89068 22595.23732 89062.59112 PI 36:4; [M-H]-@4.97 3563.6178 9212.641469 4456.789676 1399.910112 7764.322697 7109.938187 354.7269167 6748.505573 21946.24727 10633.91919 13096.0638 13966.47511 243.1941802 8564.986555 12061.93968 13332.33654 10918.77126 9475.467948 11053.06022 35891.21865 17921.04617 38425.13345 17575.16287 32431.26305 51552.22865 18639.90683 34972.07436 34659.94498 14425.09344 35928.73986 41945.26476 35398.66823 67603.69068 39040.88822 28704.23324 23093.29558 47410.30464 29051.29224 35008.85335 35168.03137 45171.97256 55117.82576 77385.2947 30903.29057 149813.7127 44597.79776 42934.14553 199688.7625 30514.6666 58719.75696 73038.31116 95787.33233 66518.26234 81288.08644 77369.70885 99712.81156 79315.25029 6995.176951 51318.30112 PI 37:4; [M-H]-@5.66 45799.61361 44795.57494 44877.08464 45719.71649 45712.55458 45615.84234 45145.0925 44791.03881 44995.33656 44572.81533 45176.50106 45606.70299 44036.80354 45093.45182 45904.69955 43703.47024 45249.21004 45502.28377 44423.20194 45223.17069 44128.61373 44599.79593 42817.40737 44607.59147 47889.01351 44034.6098 43526.06207 46057.52481 45270.33984 44717.03088 44948.45766 44150.64422 44082.71013 44762.05148 46266.29623 45657.60813 44552.50549 43787.10591 45187.50373 44806.17506 43385.10138 45203.81531 44433.27009 43967.92015 45275.68314 46711.30185 44292.4742 44805.12721 44478.42681 46165.74901 45852.48157 43022.53004 44688.51872 44636.71395 45329.41741 45489.83937 41870.21789 45323.34464 44041.94807 PI 38:3; [M-H]-@6.19 33317.90193 45644.61894 61371.18497 54692.91464 85169.66823 54042.00887 97488.81179 330214.3448 177728.8599 63968.17457 106761.8959 121753.7299 70989.05672 88188.06309 111686.4699 60676.04079 77369.12214 124504.1172 110488.2468 122000.551 69917.70373 130751.5232 115073.7751 103617.4927 63543.88261 107482.8394 139578.6137 88388.92482 69544.72494 66981.38584 151459.8685 174260.3706 202471.5522 102791.8658 68462.03715 73652.08223 59993.63841 120837.3998 164344.6762 186309.7397 169868.0117 384529.7496 248757.387 197470.1392 61833.23585 189701.6196 247486.2624 221728.5338 120488.0758 82563.6838 106225.6787 149835.158 106951.5749 315463.3991 73313.36646 214513.14 130507.1453 40402.98281 171453.7965 PI 38:4; [M-H]-@5.99 38886.66892 68505.4406 115120.5332 156109.8145 97692.31221 75836.00335 131887.3495 582697.0499 304332.585 81797.25056 295574.1729 288824.1031 117017.4996 158469.5266 126581.4546 66975.22482 262527.8496 341966.3281 214378.8728 291123.7562 90549.10643 246846.4113 97689.65101 209479.2681 65200.47341 124967.8501 172047.9422 156043.1312 189185.2827 189781.6076 248542.9082 260291.94 333309.8833 167400.4121 206942.4886 188484.4658 272298.222 306985.6683 432892.9248 294607.6366 834361.8959 1412912.46 460174.9275 272753.3252 946579.2704 474203.0512 392066.2978 1093825.665 173871.8037 370489.3804 404887.0396 452524.5603 828772.8815 1571257.212 427556.4092 313151.8218 409554.9054 94052.10474 521945.8312 PI 38:5; [M-H]-@5.46 3180.640465 13967.44156 18058.40316 16059.91209 11709.5288 5856.825726 25717.21229 47631.3715 30933.01233 13237.49155 16700.31514 17849.55034 10091.9583 16014.88226 16624.55918 11000.2261 21418.52571 33821.12467 27722.70481 28648.27554 28576.49939 45822.7791 27988.0624 22698.84144 13352.29524 21260.5805 27991.67716 16798.3815 15326.62321 20443.80141 22802.6518 32439.27135 25812.55962 13411.60772 17804.63421 33099.94492 16109.39615 18053.26134 36577.03016 40915.42166 58766.21844 72864.57559 53038.56191 42857.48267 21772.01736 28722.45776 46526.11857 53131.03182 20947.36657 13318.59686 90394.80808 27731.98132 38155.8699 48623.27685 99290.25501 44711.73459 34635.98 10947.21631 60970.05834 PI 40:5; [M-H]-@6.06 2432.875458 3246.427916 2212.113889 8145.626352 1127.349364 4297.513361 7447.599693 22658.49648 11806.58219 1853.497438 8781.997931 9850.783035 6992.653465 7098.398263 6077.889023 4483.78336 8100.836068 14503.42499 14141.86112 19587.58571 1957.324534 11281.02804 9746.018378 14623.33855 4797.017433 14686.69956 18503.34717 15579.4886 17253.29693 8242.198763 20922.25378 30484.03714 28806.88219 18287.30539 14103.01334 10467.59057 8105.241233 22950.23368 41258.11436 23756.24103 54801.74199 107515.1112 37583.86311 21516.32147 24042.21996 25567.24965 23915.3869 42510.35087 11805.00141 12983.78563 37874.86313 22249.72042 58160.98561 96638.37435 24210.97521 13319.18759 36548.92955 3980.281696 24381.15362 PS 34:0; [M-H]-@6.40 69862.79349 101669.0747 117809.9319 79246.61538 84826.21906 115190.9001 80383.54728 200952.8829 146745.4141 102780.6765 128257.8783 92374.73703 90106.33343 95490.62787 104250.227 86889.31577 82397.39101 110128.8016 140822.2354 58318.87263 69902.52925 53502.22619 23467.84573 51801.38521 82171.55939 42779.80315 52866.96011 46092.25254 56806.81794 43357.16344 41256.49314 56123.22895 55026.54536 29757.6351 41058.69941 49454.92397 35073.55564 80885.73919 68611.2315 57131.03077 86112.8808 91179.10108 68081.78641 32822.12258 61760.80601 84342.05075 78520.90776 226572.3462 26704.34548 38674.13552 86535.68116 49736.00366 49814.25919 120475.4635 56362.15574 98870.88664 83264.35034 59236.28508 75746.53019 PS 34:0; [M-H]-@7.41 3852.654523 13487.80194 19774.62447 4999.843423 5882.863195 4403.646365 10410.76962 6781.14594 10511.87535 3924.230629 12677.04733 4053.382507 13973.96363 11520.7829 13053.4027 7724.029143 12828.79045 5641.3778 9019.298558 3860.558498 5912.848598 13051.12069 11084.30765 8393.761415 8215.652108 8193.698991 6686.65123 3909.148856 4390.797094 14517.94221 14627.85861 20216.22709 12588.53808 7290.909981 5487.797977 2796.931592 1068.080033 4677.281398 14750.88477 6024.817763 19061.80055 15954.6508 21310.75471 25137.03032 16909.71433 8477.863341 5909.757944 23980.5699 5627.819389 6859.478216 17450.04967 10711.79111 14216.24672 17428.2976 10588.95283 43429.8162 17480.4936 7913.42292 19472.67775 PS 36:2; [M-H]-@6.08 4561.943531 11597.37736 2789.11495 5143.916834 2789.657096 7573.257353 7176.561398 13180.7727 18742.00956 5492.386311 3388.355859 16944.34498 11645.88821 3952.433855 7806.194708 14372.0875 10474.26256 7368.200364 23919.6544 4098.830395 1915.006782 9452.660247 4094.64288 3386.284096 5476.796437 3134.701636 4227.66803 1428.633327 3510.322002 3137.288858 9221.274762 5069.738894 6242.340763 4156.952786 3791.299962 6383.85226 3982.315325 4006.256184 15674.09259 10258.79458 13161.17023 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76208.7954 45155.81734 7962.114856 61271.96233 lysoPE 19:0; [M-H]-@2.97 12073.82893 7009.625912 10001.66781 10958.96021 9725.411433 5929.68323 8136.699473 11835.21768 25788.22125 11625.25007 15600.27671 12754.10942 6223.375014 18083.47885 9971.195702 18168.74131 11115.5366 32010.12729 10220.74208 25314.75412 12532.72173 10876.35081 14659.98376 16011.38242 9580.670869 20240.10388 9664.399735 5435.837071 6263.751213 21285.03184 15487.5697 22073.52659 30538.14487 11574.80377 11654.97817 3391.577603 23846.33825 24958.08406 26241.42609 15064.79119 46803.45397 81447.00092 21931.3561 23787.56359 59423.32658 34240.34645 25339.94812 42764.19027 10972.18966 39039.72222 26143.37594 22680.19133 24634.06532 12663.27445 29224.04506 17337.26335 26780.3157 12642.51168 46377.08461 lysoPE 20:1; [M-H]-@2.69 2672.555661 3556.246978 708.353036 1317.68864 569.0083616 10017.37346 1271.641062 3906.917139 6843.39252 7361.411195 4216.859752 3600.557416 6141.944006 4249.886498 2848.848114 5382.690918 2979.181738 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30287.22055 36399.35663 20211.37941 12518.39206 11524.83832 15022.41541 28805.95157 31563.4631 4036.678606 30824.92789 plasmenyl-PE 34:0; [M-H]-@7.34 26156.57061 25915.30179 8880.668801 26976.95561 31048.16338 37130.50033 16134.34535 23057.9622 61784.70767 26651.71238 33253.08074 26490.07863 25600.26811 26948.48114 26565.99313 34738.41777 26255.71855 32304.60467 37778.3054 24998.08722 21417.85343 40497.22442 21352.99946 29611.81021 24075.97438 33307.01664 28365.12823 22689.11278 41730.9227 39882.3427 49582.40332 27120.04023 44304.10881 30271.09453 26650.4331 27045.98087 32226.90722 38405.72562 45088.6473 30529.15952 36387.20031 56204.32093 77129.29595 41067.55356 36312.6815 67146.18147 63029.97907 52094.38063 24062.47295 33944.94228 47586.0422 39051.42855 36711.7408 49528.14231 39081.00874 40823.43665 84835.04792 23844.48246 44466.81166 plasmenyl-PE 34:1; [M-H]-@7.18 52210.82639 82028.23534 42315.01752 60757.22019 87607.51338 41262.96189 43422.60508 42998.81867 85959.50614 62268.11212 91791.01591 88551.46387 60446.52716 84021.19742 97559.7905 65143.16335 102718.049 96139.09098 65709.37178 164041.4643 113113.1077 215291.4294 103211.358 159536.1554 138260.355 147100.912 140871.3396 87782.01479 60959.45869 153232.1081 240579.9152 126231.2808 212321.9191 119135.7688 142034.2101 103851.547 143006.8694 151952.3422 307371.3466 200351.3464 233454.7498 302955.2699 370567.0216 228648.9064 266747.2064 312947.7608 163818.1555 318306.1016 80301.80018 243727.2764 252704.0171 212416.8893 209647.5344 160703.8814 220455.4414 232381.7373 214550.1489 54953.43906 278963.1062 plasmenyl-PE 34:2; [M-H]-@6.72 214272.3636 279004.4276 195457.3936 170941.1697 368113.2359 196438.651 110469.298 180948.5209 656466.6346 352691.778 473726.1328 324128.4391 166673.1973 279711.6665 340591.7101 360623.0567 240717.015 447039.8964 235945.6724 374655.2951 342692.7111 260174.2646 321354.1151 392214.4686 270926.2131 442398.1761 282648.182 490570.7154 348932.39 370231.6868 563626.0348 383237.2249 652511.5485 552647.552 355631.5546 486434.7791 502156.5086 335036.8061 555068.5681 345530.6621 891836.1452 672847.0408 726875.984 489176.2218 465600.0312 575660.7419 510022.6266 838838.9063 199828.8808 484417.5122 767395.6956 343848.5391 426283.9279 416814.2196 577791.6882 571902.0472 518940.3618 211201.225 848955.0889 plasmenyl-PE 34:3; [M-H]-@6.35 14813.63266 18885.34572 18568.72074 13722.59901 34943.65461 13981.90663 12776.69909 14390.23459 43932.33907 45441.13049 30098.94596 23055.08684 25179.46509 31887.38765 23958.30603 21880.89734 21522.65398 35010.07187 25674.23523 21725.83362 22375.01995 31971.52048 29482.33627 25686.10461 20229.87865 41463.02811 23459.75283 18898.54554 14677.26663 35715.86069 62578.84121 47108.94327 73077.93447 35082.90174 30567.42668 25170.7273 60097.03311 22660.02438 114767.2636 38103.40973 89614.08927 102087.7112 83696.24064 64619.58839 56126.77593 90119.22547 38197.15718 92686.49828 18566.72514 62778.15293 79604.9998 23301.13544 54375.38778 41723.01178 43825.8906 73374.71489 45719.35212 10319.31756 92239.36241 plasmenyl-PE 36:1; [M-H]-@7.13 117820.6261 148914.7326 99386.43768 118412.5241 266443.5109 101182.5547 117010.0414 150017.6725 307948.3769 228268.6585 379050.5485 213684.6225 124850.7552 218318.7954 240952.7215 136804.9117 237645.7329 261919.8549 183701.0467 245893.3266 185234.2851 195302.9884 205197.3759 219990.0234 193617.0644 177265.2294 258689.1916 442622.5472 437852.4062 869018.2152 807305.0634 534906.2977 541391.8623 457778.5452 527548.4302 348071.8593 537117.4579 438835.6231 201276.3144 157989.2429 329467.9521 622883.1431 750171.2958 176763.1803 203179.5942 180327.5518 191843.1156 717973.784 189851.442 599380.1205 338531.2388 290898.3694 433377.9582 416229.9924 382500.7278 402655.4372 445778.1102 156522.1745 596798.4205 plasmenyl-PE 36:1; [M-H]-@7.75 52964.60663 97144.89216 73744.20222 88740.81967 123088.2108 110183.7047 31408.74895 61507.16721 239763.5969 128237.1279 102979.7785 89074.324 85066.40124 111028.6466 123376.369 100021.2324 119916.0956 155794.8433 106410.3117 121902.9321 87686.35538 142170.6953 101747.4741 113107.1287 74025.70589 112204.7993 116370.0001 216293.181 122956.827 208574.9426 303570.4208 237248.9351 241532.2036 195511.8045 202175.4322 150480.9985 177119.9439 183557.035 115815.0594 94802.27617 122643.9881 210387.8146 120482.0408 114838.2074 118466.8294 92289.19043 157178.7847 192686.4757 61723.17764 159357.1973 213929.5472 118058.1904 111804.917 148845.7652 134703.7704 130211.1597 138639.6584 41882.69583 149016.2197 plasmenyl-PE 36:2; [M-H]-@7.34 320790.2856 420166.2537 349785.8764 506463.7914 674088.3688 366759.7399 283305.7688 462195.3149 795999.0297 495838.4441 815514.6256 667538.3608 322719.4908 497809.6472 677792.5217 388761.3548 562941.5869 884369.3515 415272.5226 647320.4525 645037.4887 675579.0286 520199.0786 897153.7524 479114.6852 599117.3752 725280.9895 1068175.683 1051388.832 2060783.487 2314456.493 1555125.684 1731523.052 1130020.51 1380443.374 888310.1409 2053032.249 1278517.297 931548.1851 407402.5765 1011111.709 2289370.749 1736673.798 577640.6171 1011237.59 816867.4067 646021.707 2273514.346 386722.3998 1439536.073 1058952.662 671900.3095 1174764.259 1007825.749 1108514.485 985615.5914 1133630.765 377702.2009 1447127.583 plasmenyl-PE 36:3; [M-H]-@6.80 209307.8938 251248.7312 220115.1445 258213.0001 318327.464 219799.0951 94138.70366 274782.1045 472973.5324 190355.8776 490417.2935 441560.9593 182447.8681 301447.178 390841.1863 230918.2189 298994.2996 397408.6492 177944.3911 594938.4411 417064.4373 646901.3686 352253.0385 556699.0104 359517.9701 525509.7188 554345.5643 373904.4666 423056.7254 713253.6894 969508.3659 827363.7625 1010075.681 786731.6963 628324.4943 449683.3762 999697.721 538057.1694 804752.7921 430055.7062 1005492.837 1735527.691 1827904.888 638847.2884 973939.1355 664184.8851 651250.5365 1596558.726 203991.2953 924852.2546 931234.2543 536547.7855 967337.8354 816956.8537 729212.681 725028.1415 624625.9383 181301.5204 1529533.633 plasmenyl-PE 36:4; [M-H]-@6.70 358523.0474 286764.4365 91434.78614 130166.0426 112839.2541 208950.387 71213.00238 100027.1458 415988.3401 179077.7183 384207.663 200738.6785 237833.4361 174923.2761 298044.9532 254237.9301 133992.0264 355428.909 198277.2077 698433.4091 505704.6165 467807.0622 606673.0887 758988.0606 1164289.978 919476.1684 656578.0367 775270.0378 426508.8461 1433384.684 1577486.79 861472.4521 1835837.277 1158815.058 673731.8246 1409955.254 1139557.242 923052.4984 912727.9893 956240.9819 1637795.785 1141462.524 2828632.86 973022.0797 3433106.816 982468.301 837322.2632 2247901.109 812489.6479 2510512.678 2131671.172 2454356.32 2087792.278 1038986.257 1622331.044 1493746.33 3005188.636 149010.0624 2634689.94 plasmenyl-PE 36:5; [M-H]-@6.35 15108.05627 17153.01647 7139.333898 4559.688718 13587.37407 12436.54355 2294.121266 3843.515713 24295.73391 8129.852364 14754.23543 15203.96659 20207.25565 10087.18634 19747.78549 10831.79522 7516.181265 17326.13877 15057.94855 47017.84873 23470.51006 43510.95424 63727.78898 48956.40233 78041.60341 76693.05891 61627.86092 34589.4677 8253.118047 79208.05378 115910.4259 81952.57405 190706.6377 63336.41205 28969.59098 51610.06541 66544.88125 58890.03067 121516.9236 80629.39602 75907.58947 135287.0066 365795.6331 87690.1409 151429.2049 90668.94391 42738.29907 170723.4837 47388.36706 179540.6419 113110.8896 140235.0516 138775.4787 53449.22319 68799.74904 99659.05633 198536.3339 5973.462951 142610.4207 plasmenyl-PE 38:1; [M-H]-@8.25 47081.01218 30721.13672 30624.20956 22953.686 59369.37805 23923.95857 48416.16 63167.37816 103762.6776 76686.75103 154373.8247 97488.97742 33117.91173 55080.37878 43783.12927 62474.1668 55041.66541 66805.61073 72716.3242 204654.838 104095.0391 83512.45098 140414.9284 107166.3413 116872.2894 137799.9035 206713.5388 181317.7301 161117.4259 380807.543 237769.2814 321830.0532 246185.4405 166175.6569 244729.8994 165478.6856 169466.04 193734.14 200783.1967 187087.0873 99723.72905 228314.2001 248788.6558 208517.8175 38239.34061 159836.0159 183213.6759 241832.8652 142776.9093 231235.1547 213297.3211 221211.7694 127380.7691 221835.2633 207560.914 151793.8351 227032.1604 33421.7457 238153.624 plasmenyl-PE 38:2; [M-H]-@7.90 116099.4171 204718.6649 107759.0791 106269.4873 197691.7439 140436.3066 84148.61917 138319.9919 283552.6905 199639.9444 245867.1425 153151.2072 130278.0729 152518.4374 187640.9662 82917.89311 129512.7963 248935.1797 152827.4772 328053.5243 235561.6362 271777.7353 225204.4971 305676.8331 185661.6196 328141.6869 379015.4811 385153.2166 245929.7315 508813.1356 570642.0277 611107.1474 505318.3753 419629.3426 410978.5769 431943.6047 596873.5276 497182.5112 352288.0895 224061.6735 190638.1619 397976.1151 417094.53 366485.6061 153244.6761 362837.5644 331754.8665 370059.6037 183508.5119 400461.6757 468993.2754 243992.9343 195093.6511 365766.2008 413393.0558 265825.5026 282211.5446 92704.05598 347574.602 plasmenyl-PE 38:3; [M-H]-@7.51 78163.96298 96762.39186 48762.10868 85926.1043 101023.1485 59864.78812 65608.68516 83068.96236 176318.4209 85870.5098 192134.2476 129970.3113 81549.54601 96628.83916 132162.9694 75615.85473 146123.4724 153602.4331 89733.35226 209495.9335 134496.949 203542.4193 148246.8638 161427.4491 128739.2098 185200.6065 169120.3511 162852.8206 204313.8089 432595.8687 512053.8749 279557.4305 376082.4461 291280.8068 290441.4196 188118.612 305656.8567 258340.7432 267126.6089 150865.2854 320033.3555 730478.2981 501887.1587 196780.0034 372513.3851 265987.4695 225622.1072 675371.5367 135845.1194 485360.2543 347952.332 263262.1893 542820.1502 351882.8189 314132.3597 353416.6814 341963.6831 81835.57487 530128.7983 plasmenyl-PE 38:4; [M-H]-@7.05 126257.5359 166076.3211 105812.7413 141675.6545 145199.0248 121946.7759 109816.6856 213915.5084 301969.9665 137180.915 265635.5257 144305.7313 149042.7981 118182.607 208724.8706 236155.983 270083.0331 309781.3791 198633.0458 668039.2744 336783.4787 702255.2471 302987.6675 398798.0694 367010.0651 390803.0635 378064.3666 447460.5393 346062.2968 1114408.848 1346287.918 794605.8572 1374514.7 454512.7192 680708.3999 542644.0522 694528.7188 660616.2075 1227998.774 492144.4319 877079.0381 2056024.877 1721198.657 530808.963 2004010.889 1299870.36 672051.9217 1832238.051 307460.4749 1455895.946 897140.3436 914554.2932 1327928.118 708566.1526 891057.0963 1104474.52 908037.561 146236.4163 1367496.211 plasmenyl-PE 38:4; [M-H]-@7.29 126257.5359 166076.3211 105812.7413 141675.6545 145199.0248 121946.7759 109816.6856 213915.5084 301969.9665 137180.915 265635.5257 144305.7313 149042.7981 118182.607 208724.8706 236155.983 270083.0331 309781.3791 198633.0458 668039.2744 336783.4787 702255.2471 302987.6675 398798.0694 367010.0651 390803.0635 378064.3666 447460.5393 346062.2968 1114408.848 1346287.918 794605.8572 1374514.7 454512.7192 680708.3999 542644.0522 694528.7188 660616.2075 1227998.774 492144.4319 877079.0381 2056024.877 1721198.657 530808.963 2004010.889 1299870.36 672051.9217 1832238.051 307460.4749 1455895.946 897140.3436 914554.2932 1327928.118 708566.1526 891057.0963 1104474.52 908037.561 146236.4163 1367496.211 plasmenyl-PE 38:5; [M-H]-@6.78 204440.0785 277075.0138 131693.8548 169174.6835 179077.5465 148879.7966 107032.5515 158704.1902 323701.9048 147905.0895 340553.4755 243355.6459 205887.0002 197485.8405 254265.4273 367673.6022 228403.0793 326980.5213 203011.6078 630830.1353 497655.9957 774726.8131 531343.4268 627649.5004 769298.9493 794240.9551 653863.6112 532746.8302 392675.6856 649963.381 905739.8853 843713.4939 1168002.293 736592.6799 729387.8938 718070.6594 616920.356 683224.3989 1516764.321 1125486.419 1352189.258 1374107.061 1791308.415 1056945.536 1035391.161 1070301.276 1115049.076 1500045.466 515867.7592 1167593.865 1523272.503 1167398.346 1134271.618 1222851.652 1110377.144 1748517.136 1342898.134 167476.0681 1888762.51 plasmenyl-PE 38:6; [M-H]-@6.62 55776.73233 46682.72742 12732.10666 31146.85159 23729.76583 37518.23912 9498.347123 6655.362064 62591.19107 24471.57863 44048.85288 20522.69036 23296.10688 21890.62222 34299.07232 64445.41289 21072.64821 24006.09389 19150.50312 203852.8659 107442.5168 172093.9535 63670.99528 217647.2063 306392.4874 190698.0312 78855.24515 108978.5738 44450.25928 274296.4738 552368.625 247782.2834 368958.0242 141408.6221 538347.358 113070.4295 154318.0648 165840.1856 558426.3577 282765.8884 588482.2211 353971.612 974679.8997 441778.2218 2225406.048 479542.438 98782.0244 1319487.377 60112.25427 874972.5557 533305.5948 442763.4455 543094.5938 191198.0638 315582.1976 556060.517 356017.9446 18662.08355 502425.4718 plasmenyl-PE 40:3; [M-H]-@7.97 28255.03325 64864.23933 45738.29119 28994.9847 45360.80185 45687.33378 34000.0573 49770.01984 108142.8152 64590.79447 85029.23025 56977.7751 44888.25436 61620.67984 31269.9973 52837.99251 59569.75067 101854.1428 83260.24412 109610.3802 62956.2868 75198.01019 72857.59618 59636.34083 103858.5239 107377.5862 91710.31152 106900.9092 105502.9223 171104.3124 156418.3003 167306.4677 166770.8969 118876.5766 123892.5405 140122.8463 111602.2735 122179.9417 133737.2757 100544.6349 73908.40861 145892.9274 130119.2912 97182.61056 65109.64695 104553.7847 140729.7517 165212.3134 96474.9699 124350.663 168006.9553 155391.9407 121217.5628 151870.4212 146687.7253 132203.0427 134548.1648 35845.63253 138094.9697 plasmenyl-PE 40:4; [M-H]-@7.67 91115.14176 185588.3346 68602.84324 91771.63703 143463.9255 76555.89585 56481.07384 90850.58369 328673.4116 141733.3974 161496.9725 131137.9307 114476.8669 180924.33 182783.8981 152180.9583 136507.3454 218569.2533 135284.029 283567.525 117058.7238 255369.1611 221891.5333 231591.3034 173963.7922 325205.6277 291775.4876 224113.9039 248652.5984 437830.2227 370812.3476 449054.1168 497405.2278 364178.8496 354289.4627 440932.243 334126.521 340427.9142 524840.3024 326684.0273 269441.9932 438114.1965 387922.059 306696.5255 306673.1249 376728.0634 495407.9776 490449.1534 277167.8295 453368.0757 454653.0495 422609.9988 394952.2854 377977.0114 411782.4785 438485.6984 344024.4102 95106.06541 428950.5489 plasmenyl-PE 40:4; [M-H]-@7.88 91115.14176 185588.3346 68602.84324 91771.63703 143463.9255 76555.89585 56481.07384 90850.58369 328673.4116 141733.3974 161496.9725 131137.9307 114476.8669 180924.33 182783.8981 152180.9583 136507.3454 218569.2533 135284.029 283567.525 117058.7238 255369.1611 221891.5333 231591.3034 173963.7922 325205.6277 291775.4876 224113.9039 248652.5984 437830.2227 370812.3476 449054.1168 497405.2278 364178.8496 354289.4627 440932.243 334126.521 340427.9142 524840.3024 326684.0273 269441.9932 438114.1965 387922.059 306696.5255 306673.1249 376728.0634 495407.9776 490449.1534 277167.8295 453368.0757 454653.0495 422609.9988 394952.2854 377977.0114 411782.4785 438485.6984 344024.4102 95106.06541 428950.5489 plasmenyl-PE 40:5; [M-H]-@7.43 115927.6359 113531.1674 35922.34946 53037.0346 65172.03895 49048.83402 32236.22774 33891.51409 145832.7186 52940.28213 118666.7213 93915.6322 116519.4412 61541.10418 135631.2007 95866.4972 88641.54717 91453.92371 63758.91906 114397.3488 103546.8155 127145.8344 163984.0192 145551.139 235420.1502 163425.0819 252007.3535 209124.5762 106371.3076 414995.695 329243.7523 239023.3206 474462.8314 255551.7121 263082.472 409867.2266 307384.2114 296007.8835 198451.0561 155032.8907 154806.1966 316068.4218 703968.6017 175147.6675 567210.5305 114498.9627 152412.0418 456421.7289 145812.7816 544328.061 320435.3948 378870.6138 425518.5711 237559.393 292941.687 239071.9421 360491.6296 66289.44372 340555.4114 plasmenyl-PE 40:6; [M-H]-@7.19 40806.22854 32024.27654 7203.771999 20753.23938 22148.96353 56099.98434 21743.97606 34493.44284 33812.08875 39694.28797 26141.49022 55147.30414 42043.35463 20996.92227 27348.82333 31221.76701 29474.03827 28943.07115 45662.37554 125497.3801 122346.7976 119664.5649 92129.99469 102476.6512 127001.5006 132263.4539 142070.6754 102904.9258 87748.78387 158128.4303 205698.885 156636.7675 265996.9179 168849.8322 175272.7394 132477.8262 153636.1279 161659.2899 311394.2229 195320.6224 204239.149 279379.3988 380272.5198 226870.244 300892.5465 210707.9923 149376.2858 248844.7415 81176.03805 266042.062 260403.571 183216.4335 208276.7865 259820.3231 151911.5627 266311.519 208504.1133 24688.89638 265490.0045 plasmenyl-PE 42:4; [M-H]-@8.19 29582.74754 47002.55827 22545.16113 23102.90318 19226.98571 25635.99809 14681.83123 26149.20248 97352.53248 45487.86031 51724.61539 25236.34116 27150.35772 49155.72133 56241.85894 44331.13659 40299.60785 21160.41917 30643.02844 62568.52606 31650.54268 52167.00245 65606.03941 44727.31703 110021.9921 36941.74335 133692.027 102680.3408 31943.34083 192216.7811 156641.8764 103403.63 136726.2152 94062.35491 73607.75081 146011.2635 106063.4993 125181.8732 65973.45559 67048.34299 25412.55425 105865.887 188459.0422 44407.93061 112168.4866 72639.26338 65150.7399 126951.9525 75347.7094 242485.9072 159373.3399 204248.3098 108710.507 100669.8443 142343.839 98614.33992 157761.6422 20201.00575 101010.4003 plasmenyl-PE 42:5; [M-H]-@7.90 28069.9265 40682.59108 9644.309409 21745.34388 29173.22033 21114.94994 21296.92637 31443.37393 58634.19404 36603.6563 40147.35535 35695.33713 24607.46966 29912.38668 27754.33152 34109.94549 43625.2264 25782.76518 21929.82309 38477.48533 21600.66346 32950.08936 38033.95327 29621.29974 37845.02779 48431.84965 70766.96247 45469.64994 39623.87643 55677.51601 75570.49741 58504.71655 68642.12616 49078.89232 62671.36774 63216.33215 53428.95399 55132.76683 77702.40048 66148.01471 51133.95401 76257.2225 61552.49443 50747.60731 33207.79659 74712.27598 69442.65559 78630.16709 52247.51945 73739.05663 82108.88679 56772.05109 48488.81735 61116.91397 82776.701 61072.8916 56973.97386 18718.84507 65944.72304 plasmenyl-PE 42:6; [M-H]-@7.77 12300.98755 14060.08868 3809.956784 7757.477095 2832.568676 4497.554576 2655.551432 6315.972917 32815.902 12085.74321 16072.21694 8257.116578 13013.99058 15786.7095 18151.60682 11301.15454 13604.75386 10564.1399 9874.811074 138.8572616 9730.472964 7409.874505 11509.06498 13394.42925 22112.31054 19293.49284 49600.34415 12064.02027 8783.014905 21649.43102 45388.80896 19738.20067 44451.99829 26863.1651 20644.11044 35000.66201 21289.62007 20156.13365 19291.92118 17905.19922 20785.07156 25710.89824 55477.52094 19822.19411 19123.45664 8205.120872 21603.36573 40596.52515 20503.35187 72308.89694 37597.37422 34588.94647 22112.90709 20368.04005 16178.23626 30924.90986 41442.33117 10273.72552 27640.54716 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type Arachidonic acid 444899 CL 66:1; [M-2H](2-)@6.27 6.27 CL(66:1) LipidMaps Bulk ID CL 70:1; [M-2H](2-)@6.86 6.86 CL(70:1) LipidMaps Bulk ID CL 70:5; [M-2H](2-)@5.92 5.92 CL(70:5) LipidMaps Bulk ID CL 72:5; [M-2H](2-)@6.39 6.39 CL(72:5) LipidMaps Bulk ID CL 74:1; [M-2H](2-)@7.45 7.45 CL(74:1) LipidMaps Bulk ID CL 74:3; [M-2H](2-)@7.07 7.07 CL(74:3) LipidMaps Bulk ID CL 74:5; [M-2H](2-)@6.75 6.75 CL(74:5) LipidMaps Bulk ID CL 78:3; [M-2H](2-)@7.55 7.55 CL 78:3 LipidBLAST CL 78:9; [M-2H](2-)@6.49 6.49 CL(78:9) LipidMaps Bulk ID CerP 34:1; [M-H]-@5.83 5.83 CerP 34:1 LipidBLAST FFA(16:0) FA(16:0) LipidMaps Bulk ID FFA(18:0) 5281 LMFA01010018 LipidMaps FFA(18:1) FA(18:1) LipidMaps Bulk ID FFA(18:2) FA(18:2) LipidMaps Bulk ID FFA(20:0) 10467 LMFA01010020 LipidMaps FFA(20:1) FA(20:1) LipidMaps Bulk ID FFA(20:2) FA(20:2) LipidMaps Bulk ID FFA(22:0) 8215 LMFA01010022 LipidMaps FFA(22:1) FA(22:1) LipidMaps Bulk ID FFA(22:2) FA(22:2) LipidMaps Bulk ID FFA(22:3) FA(22:3) LipidMaps Bulk ID FFA(24:0) 11197 LMFA01010024 LipidMaps FFA(24:1) FA(24:1) LipidMaps Bulk ID FFA(24:2) FA(24:2) LipidMaps Bulk ID FFA(24:3) 52921854 LMFA01030902 LipidMaps MGDG 22:1; [M-H]-@1.47 1.47 MGDG 22:1 LipidBLAST PA 34:0; [M-H]-@6.96 7.97 PA(34:0) LipidMaps Bulk ID PA 34:0; [M-H]-@2.83 7.97 PA(34:0) LipidMaps Bulk ID PA 34:0; [M-H]-@7.97 7.97 PA(34:0) LipidMaps Bulk ID PA 34:2; [M-H]-@6.28 6.28 PA(34:2) LipidMaps Bulk ID PC 19:2; [M-Ac-H]-@1.38 1.38 PC 19:2 LipidBLAST PC 28:0; [M-Ac-H]-@5.24 5.24 PC(28:0) LipidMaps Bulk ID PC 29:0; [M-Ac-H]-@5.61 5.61 PC(29:0) LipidMaps Bulk ID PC 30:0; [M-Ac-H]-@5.95 5.95 PC(30:0) LipidMaps Bulk ID PC 30:1; [M-Ac-H]-@5.43 5.43 PC(30:1) LipidMaps Bulk ID PC 31:0; [M-Ac-H]-@6.22 6.22 PC(31:0) LipidMaps Bulk ID PC 31:1; [M-Ac-H]-@5.75 5.75 PC(31:1) LipidMaps Bulk ID PC 32:0; [M-Ac-H]-@6.58 6.58 PC(32:0) LipidMaps Bulk ID PC 32:1; [M-Ac-H]-@6.08 6.08 PC(32:1) LipidMaps Bulk ID PC 32:2; [M-Ac-H]-@5.61 5.61 PC(32:2) LipidMaps Bulk ID PC 32:3; [M-Ac-H]-@5.17 5.17 PC(32:3) LipidMaps Bulk ID PC 33:0; [M-Ac-H]-@6.84 6.84 PC(33:0) LipidMaps Bulk ID PC 33:1; [M-Ac-H]-@6.41 6.41 PC(33:1) LipidMaps Bulk ID PC 33:2; [M-Ac-H]-@5.94 5.94 PC(33:2) LipidMaps Bulk ID PC 33:3; [M-Ac-H]-@5.55 5.55 PC(33:3) LipidMaps Bulk ID PC 34:0; [M-Ac-H]-@7.19 7.19 PC(34:0) LipidMaps Bulk ID PC 34:1; [M-Ac-H]-@6.66 6.66 PC(34:1) LipidMaps Bulk ID PC 34:2; [M-Ac-H]-@7.52 8.6 PC(34:2) LipidMaps Bulk ID PC 34:2; [M-Ac-H]-@8.60 8.6 PC(34:2) LipidMaps Bulk ID PC 34:2; [M-Ac-H]-@6.22 8.6 PC(34:2) LipidMaps Bulk ID PC 34:3; [M-Ac-H]-@5.76 5.76 PC(34:3) LipidMaps Bulk ID PC 34:4; [M-Ac-H]-@5.39 5.39 PC(34:4) LipidMaps Bulk ID PC 35:0; [M-Ac-H]-@7.46 7.46 PC(35:0) LipidMaps Bulk ID PC 35:1; [M-Ac-H]-@7.02 7.02 PC(35:1) LipidMaps Bulk ID PC 35:2; [M-Ac-H]-@6.55 6.55 PC(35:2) LipidMaps Bulk ID PC 35:3; [M-Ac-H]-@6.10 6.1 PC(35:3) LipidMaps Bulk ID PC 35:4; [M-Ac-H]-@5.89 5.89 PC(35:4) LipidMaps Bulk ID PC 36:1; [M-Ac-H]-@7.26 7.26 PC(36:1) LipidMaps Bulk ID PC 36:2; [M-Ac-H]-@6.83 6.83 PC(36:2) LipidMaps Bulk ID PC 36:3; [M-Ac-H]-@6.38 6.38 PC(36:3) LipidMaps Bulk ID PC 36:4; [M-Ac-H]-@6.05 6.05 PC(36:4) LipidMaps Bulk ID PC 36:5; [M-Ac-H]-@5.57 5.57 PC(36:5) LipidMaps Bulk ID PC 36:6; [M-Ac-H]-@5.05 5.05 PC(36:6) LipidMaps Bulk ID PC 37:1; [M-Ac-H]-@7.56 7.56 PC(37:1) LipidMaps Bulk ID PC 37:2; [M-Ac-H]-@7.16 7.16 PC(37:2) LipidMaps Bulk ID PC 37:3; [M-Ac-H]-@6.71 6.71 PC(37:3) LipidMaps Bulk ID PC 37:4; [M-Ac-H]-@6.59 6.59 PC(37:4) LipidMaps Bulk ID PC 37:5; [M-Ac-H]-@6.09 6.09 PC(37:5) LipidMaps Bulk ID PC 38:1; [M-Ac-H]-@7.80 7.8 PC(38:1) LipidMaps Bulk ID PC 38:2; [M-Ac-H]-@7.38 7.38 PC(38:2) LipidMaps Bulk ID PC 38:3; [M-Ac-H]-@6.86 7.13 PC(38:3) LipidMaps Bulk ID PC 38:3; [M-Ac-H]-@7.13 7.13 PC(38:3) LipidMaps Bulk ID PC 38:4; [M-Ac-H]-@6.75 6.75 PC(38:4) LipidMaps Bulk ID PC 38:5; [M-Ac-H]-@6.26 6.55 PC(38:5) LipidMaps Bulk ID PC 38:5; [M-Ac-H]-@6.55 6.55 PC(38:5) LipidMaps Bulk ID PC 38:6; [M-Ac-H]-@5.98 5.98 PC(38:6) LipidMaps Bulk ID PC 38:7; [M-Ac-H]-@5.48 5.48 PC(38:7) LipidMaps Bulk ID PC 39:4; [M-Ac-H]-@7.19 7.19 PC(39:4) LipidMaps Bulk ID PC 40:0; [M-Ac-H]-@8.71 8.71 PC(40:0) LipidMaps Bulk ID PC 40:2; [M-Ac-H]-@8.00 8 PC(40:2) LipidMaps Bulk ID PC 40:3; [M-Ac-H]-@7.60 7.6 PC(40:3) LipidMaps Bulk ID PC 40:4; [M-Ac-H]-@7.30 7.3 PC(40:4) LipidMaps Bulk ID PC 40:5; [M-Ac-H]-@7.01 7.01 PC(40:5) LipidMaps Bulk ID PC 40:6; [M-Ac-H]-@6.56 6.56 PC(40:6) LipidMaps Bulk ID PC 40:7; [M-Ac-H]-@6.11 6.11 PC(40:7) LipidMaps Bulk ID PC 40:8; [M-Ac-H]-@5.80 5.8 PC(40:8) LipidMaps Bulk ID PC 41:4; [M-Ac-H]-@7.56 7.56 PC(41:4) LipidMaps Bulk ID PC 42:1; [M-Ac-H]-@8.85 8.85 PC(42:1) LipidMaps Bulk ID PC 42:2; [M-Ac-H]-@8.52 8.52 PC(42:2) LipidMaps Bulk ID PC 42:4; [M-Ac-H]-@7.75 7.75 PC(42:4) LipidMaps Bulk ID PC 42:5; [M-Ac-H]-@7.43 7.43 PC(42:5) LipidMaps Bulk ID PC 42:9; [M-Ac-H]-@6.14 6.14 PC(42:9) LipidMaps Bulk ID PC 44:4; [M-Ac-H]-@8.45 8.45 PC(44:4) LipidMaps Bulk ID PE 30:0; [M-H]-@6.12 6.12 PE(30:0) LipidMaps Bulk ID PE 32:0; [M-H]-@6.71 6.71 PE(32:0) LipidMaps Bulk ID PE 32:1; [M-H]-@6.27 6.27 PE(32:1) LipidMaps Bulk ID PE 33:1; [M-H]-@6.57 6.57 PE(33:1) LipidMaps Bulk ID PE 33:2; [M-H]-@6.11 6.11 PE(33:2) LipidMaps Bulk ID PE 34:0; [M-H]-@7.27 7.27 PE(34:0) LipidMaps Bulk ID PE 34:1; [M-H]-@6.86 6.86 PE(34:1) LipidMaps Bulk ID PE 34:1; [M-H]-@5.48 6.86 PE(34:1) LipidMaps Bulk ID PE 34:2; [M-H]-@6.39 6.39 PE(34:2) LipidMaps Bulk ID PE 34:3; [M-H]-@6.01 6.01 PE(34:3) LipidMaps Bulk ID PE 35:0; [M-H]-@7.63 7.63 PE(35:0) LipidMaps Bulk ID PE 35:1; [M-H]-@7.14 7.14 PE(35:1) LipidMaps Bulk ID PE 35:2; [M-H]-@6.72 6.72 PE(35:2) LipidMaps Bulk ID PE 35:3; [M-H]-@6.27 6.27 PE(35:3) LipidMaps Bulk ID PE 35:4; [M-H]-@6.10 6.1 PE(35:4) LipidMaps Bulk ID PE 36:0; [M-H]-@7.84 7.84 PE(36:0) LipidMaps Bulk ID PE 36:1; [M-H]-@6.11 6.11 PE(36:1) LipidMaps Bulk ID PE 36:2; [M-H]-@6.30 7.03 PE(36:2) LipidMaps Bulk ID PE 36:2; [M-H]-@7.03 7.03 PE(36:2) LipidMaps Bulk ID PE 36:2; [M-H]-@5.65 7.03 PE(36:2) LipidMaps Bulk ID PE 36:3; [M-H]-@5.19 6.54 PE(36:3) LipidMaps Bulk ID PE 36:3; [M-H]-@6.54 6.54 PE(36:3) LipidMaps Bulk ID PE 36:4; [M-H]-@4.69 6.22 PE(36:4) LipidMaps Bulk ID PE 36:4; [M-H]-@6.22 6.22 PE(36:4) LipidMaps Bulk ID PE 36:5; [M-H]-@5.71 5.71 PE(36:5) LipidMaps Bulk ID PE 37:1; [M-H]-@7.68 7.68 PE(37:1) LipidMaps Bulk ID PE 37:2; [M-H]-@7.30 7.3 PE(37:2) LipidMaps Bulk ID PE 37:3; [M-H]-@6.91 6.91 PE(37:3) LipidMaps Bulk ID PE 37:4; [M-H]-@6.73 6.73 PE(37:4) LipidMaps Bulk ID PE 37:5; [M-H]-@6.18 6.18 PE(37:5) LipidMaps Bulk ID PE 38:1; [M-H]-@7.90 7.9 PE(38:1) LipidMaps Bulk ID PE 38:2; [M-H]-@6.91 7.56 PE(38:2) LipidMaps Bulk ID PE 38:2; [M-H]-@7.56 7.56 PE(38:2) LipidMaps Bulk ID PE 38:3; [M-H]-@7.25 7.25 PE(38:3) LipidMaps Bulk ID PE 38:4; [M-H]-@6.92 6.92 PE(38:4) LipidMaps Bulk ID PE 38:4; [M-H]-@5.61 6.92 PE(38:4) LipidMaps Bulk ID PE 38:5; [M-H]-@5.12 6.55 PE(38:5) LipidMaps Bulk ID PE 38:5; [M-H]-@6.55 6.55 PE(38:5) LipidMaps Bulk ID PE 38:6; [M-H]-@4.74 6.13 PE(38:6) LipidMaps Bulk ID PE 38:6; [M-H]-@6.13 6.13 PE(38:6) LipidMaps Bulk ID PE 38:7; [M-H]-@5.60 5.6 PE(38:7) LipidMaps Bulk ID PE 39:4; [M-H]-@7.30 7.3 PE(39:4) LipidMaps Bulk ID PE 39:5; [M-H]-@6.78 6.78 PE(39:5) LipidMaps Bulk ID PE 40:4; [M-H]-@6.08 7.41 PE(40:4) LipidMaps Bulk ID PE 40:4; [M-H]-@7.41 7.41 PE(40:4) LipidMaps Bulk ID PE 40:5; [M-H]-@7.13 7.13 PE(40:5) LipidMaps Bulk ID PE 40:6; [M-H]-@6.88 6.88 PE(40:6) LipidMaps Bulk ID PE 40:8; [M-H]-@5.97 5.97 PE(40:8) LipidMaps Bulk ID PE 42:9; [M-H]-@6.08 6.08 PE(42:9) LipidMaps Bulk ID PG 34:0; [M-H]-@6.38 6.38 PG(34:0) LipidMaps Bulk ID PG 34:1; [M-H]-@5.95 5.95 PG(34:1) LipidMaps Bulk ID PG 34:2; [M-H]-@5.54 5.54 PG(34:2) LipidMaps Bulk ID PG 36:2; [M-H]-@6.15 6.15 PG(36:2) LipidMaps Bulk ID PG 36:3; [M-H]-@5.38 5.38 PG(36:3) LipidMaps Bulk ID PG 36:4; [M-H]-@4.94 4.94 PG(36:4) LipidMaps Bulk ID PG 38:4; [M-H]-@6.13 6.13 PG(38:4) LipidMaps Bulk ID PG 40:3; [M-H]-@6.11 6.11 PG(40:3) LipidMaps Bulk ID PI 34:1; [M-H]-@5.78 5.78 PI(34:1) LipidMaps Bulk ID PI 34:2; [M-H]-@5.34 5.34 PI(34:2) LipidMaps Bulk ID PI 35:1; [M-H]-@6.07 6.07 PI(35:1) LipidMaps Bulk ID PI 35:2; [M-H]-@5.63 5.63 PI(35:2) LipidMaps Bulk ID PI 36:1; [M-H]-@6.39 6.39 PI(36:1) LipidMaps Bulk ID PI 36:2; [M-H]-@5.99 5.99 PI(36:2) LipidMaps Bulk ID PI 36:3; [M-H]-@5.46 5.46 PI(36:3) LipidMaps Bulk ID PI 36:4; [M-H]-@4.97 4.97 PI(36:4) LipidMaps Bulk ID PI 37:4; [M-H]-@5.66 5.66 PI(37:4) LipidMaps Bulk ID PI 38:3; [M-H]-@6.19 6.19 PI(38:3) LipidMaps Bulk ID PI 38:4; [M-H]-@5.99 5.99 PI(38:4) LipidMaps Bulk ID PI 38:5; [M-H]-@5.46 5.46 PI(38:5) LipidMaps Bulk ID PI 40:5; [M-H]-@6.06 6.06 PI(40:5) LipidMaps Bulk ID PS 34:0; [M-H]-@6.40 7.41 PS(34:0) LipidMaps Bulk ID PS 34:0; [M-H]-@7.41 7.41 PS(34:0) LipidMaps Bulk ID PS 36:2; [M-H]-@6.08 6.08 PS(36:2) LipidMaps Bulk ID PS 38:4; [M-H]-@6.06 6.06 PS(38:4) LipidMaps Bulk ID lysoPE 16:0; [M-H]-@1.68 1.68 LPE(16:0) LipidMaps Bulk ID lysoPE 16:1; [M-H]-@1.27 1.27 LPE(16:1) LipidMaps Bulk ID lysoPE 17:0; [M-H]-@2.11 2.11 52925149 LMGP02050030 LipidMaps lysoPE 18:0; [M-H]-@2.45 2.45 LPE(18:0) LipidMaps Bulk ID lysoPE 18:1; [M-H]-@1.84 1.84 LPE(18:1) LipidMaps Bulk ID lysoPE 18:2; [M-H]-@1.39 1.39 LPE(18:2) LipidMaps Bulk ID lysoPE 18:3; [M-H]-@1.13 1.13 LPE(18:3) LipidMaps Bulk ID lysoPE 19:0; [M-H]-@2.97 2.97 52925147 LMGP02050028 LipidMaps lysoPE 20:1; [M-H]-@2.69 2.69 LPE(20:1) LipidMaps Bulk ID lysoPE 20:2; [M-H]-@2.09 2.09 LPE(20:2) LipidMaps Bulk ID lysoPE 20:3; [M-H]-@1.65 1.65 LPE(20:3) LipidMaps Bulk ID lysoPE 20:4; [M-H]-@1.36 1.36 LPE(20:4) LipidMaps Bulk ID lysoPE 22:4; [M-H]-@1.91 1.91 LPE(22:4) LipidMaps Bulk ID lysoPE 22:5; [M-H]-@1.61 1.61 LPE(22:5) LipidMaps Bulk ID lysoPE 22:6; [M-H]-@1.33 1.33 LPE(22:6) LipidMaps Bulk ID lysoPE 24:0; [M-H]-@5.26 5.26 LPE(24:0) LipidMaps Bulk ID plasmenyl-PE 32:0; [M-H]-@7.12 7.12 PE(P-32:0) LipidMaps Bulk ID plasmenyl-PE 32:1; [M-H]-@6.62 6.62 PE(P-32:1) LipidMaps Bulk ID plasmenyl-PE 34:0; [M-H]-@7.34 7.34 PE(P-34:0) LipidMaps Bulk ID plasmenyl-PE 34:1; [M-H]-@7.18 7.18 PE(P-34:1) LipidMaps Bulk ID plasmenyl-PE 34:2; [M-H]-@6.72 6.72 PE(P-34:2) LipidMaps Bulk ID plasmenyl-PE 34:3; [M-H]-@6.35 6.35 PE(P-34:3) LipidMaps Bulk ID plasmenyl-PE 36:1; [M-H]-@7.13 7.75 PE(P-36:1) LipidMaps Bulk ID plasmenyl-PE 36:1; [M-H]-@7.75 7.75 PE(P-36:1) LipidMaps Bulk ID plasmenyl-PE 36:2; [M-H]-@7.34 7.34 PE(P-36:2) LipidMaps Bulk ID plasmenyl-PE 36:3; [M-H]-@6.80 6.8 PE(P-36:3) LipidMaps Bulk ID plasmenyl-PE 36:4; [M-H]-@6.70 6.7 PE(P-36:4) LipidMaps Bulk ID plasmenyl-PE 36:5; [M-H]-@6.35 6.35 PE(P-36:5) LipidMaps Bulk ID plasmenyl-PE 38:1; [M-H]-@8.25 8.25 PE(P-38:1) LipidMaps Bulk ID plasmenyl-PE 38:2; [M-H]-@7.90 7.9 PE(P-38:2) LipidMaps Bulk ID plasmenyl-PE 38:3; [M-H]-@7.51 7.51 PE(P-38:3) LipidMaps Bulk ID plasmenyl-PE 38:4; [M-H]-@7.05 7.29 PE(P-38:4) LipidMaps Bulk ID plasmenyl-PE 38:4; [M-H]-@7.29 7.29 PE(P-38:4) LipidMaps Bulk ID plasmenyl-PE 38:5; [M-H]-@6.78 6.78 PE(P-38:5) LipidMaps Bulk ID plasmenyl-PE 38:6; [M-H]-@6.62 6.62 PE(P-38:6) LipidMaps Bulk ID plasmenyl-PE 40:3; [M-H]-@7.97 7.97 PE(P-40:3) LipidMaps Bulk ID plasmenyl-PE 40:4; [M-H]-@7.67 7.88 PE(P-40:4) LipidMaps Bulk ID plasmenyl-PE 40:4; [M-H]-@7.88 7.88 PE(P-40:4) LipidMaps Bulk ID plasmenyl-PE 40:5; [M-H]-@7.43 7.43 PE(P-40:5) LipidMaps Bulk ID plasmenyl-PE 40:6; [M-H]-@7.19 7.19 PE(P-40:6) LipidMaps Bulk ID plasmenyl-PE 42:4; [M-H]-@8.19 8.19 PE(P-42:4) LipidMaps Bulk ID plasmenyl-PE 42:5; [M-H]-@7.90 7.9 plasmenyl-PE 42:5 LipidBLAST plasmenyl-PE 42:6; [M-H]-@7.77 7.77 PE(P-42:6) LipidMaps Bulk ID METABOLITES_END #END