Metabolite_name RefMet_name 90252016907 90265016907 90266016907 90217016907 90229016907 90232016907 90237016907 90239016907 SampleBlank01 SampleBlank02 SampleBlank03 SampleBlank04 SampleBlank05 SampleBlank06 QC01 QC02 QC03 QC04 QC05 QC06 QC07 IPE_Reference_BAT IPE_Reference_BAT02 SED_Reference_BAT SED_Reference_BAT02 90559016907 90560016907 90567016907 90571016907 90421016907 90422016907 90423016907 90426016907 90430016907 90576016907 90578016907 90581016907 90585016907 90587016907 90439016907 90441016907 90444016907 90449016907 90450016907 90406016907 90410016907 90412016907 90416016907 90420016907 90280016907 90281016907 90283016907 90289016907 90251016907 90254016907 90225016907 Factors - Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Cer(d34:1)_M+H2CO2_feature1 Cer 34:1;O2 243092.6551 154568.6032 789312.3935 227019.2009 242870.1226 397801.1410 186569.3938 265097.0637 194.1585 243.6049 240.3894 200.2484 270.6278 258.7007 228546.1950 240738.3302 249627.4246 272178.1388 286491.9150 268663.6507 280615.3803 390720.1252 429564.6349 296655.4109 338635.4375 277083.1363 243823.5234 230786.9908 298950.4449 286452.4190 174611.5636 263728.6876 262553.9134 277541.0238 250377.3829 228553.4068 305038.4203 311499.3494 342157.3372 232698.9551 252562.5512 268882.4661 210104.5960 171541.8836 134619.1020 178111.3518 274778.9938 199726.3029 166241.3922 239096.1811 342072.9411 224596.8833 198070.8004 145007.6594 297654.7592 292379.0325 Cer(d36:1)_M+H2CO2_feature1 Cer 36:1;O2 129388.2508 175803.8077 250670.7109 70951.1707 67934.0917 371942.8625 87162.0674 126538.9222 210.8059 212.5541 216.4664 221.3148 245.7579 239.3718 174711.1316 191153.6465 192004.6345 199825.6340 212709.1061 217207.9663 222926.3915 238199.8306 282894.0146 213478.5024 291669.5139 286465.9790 270069.0435 380676.7836 364535.3348 117368.4765 48378.0208 309352.2377 136680.8668 650351.2257 174866.7720 310114.1735 409199.2333 220495.0824 286040.1821 96895.5046 163643.0576 145311.0129 95967.5648 239017.7947 52901.2731 123584.9633 321678.6135 185870.7821 184024.9948 75192.0486 84948.2946 252955.0082 59987.6573 501479.4307 170424.8722 81569.7468 Cer(d38:1)_M+H2CO2_feature1 Cer 38:1;O2 29965.6766 19722.8999 51369.1229 16641.0601 16767.3308 39643.9869 19681.2901 25668.6289 110.9617 139.0828 143.8273 125.8925 128.9454 146.3739 24215.6494 22666.4304 23148.9561 23692.2417 22908.8737 28889.0856 27790.8818 36613.4838 38371.2593 30715.5011 34126.9991 43929.9788 46615.9957 32398.3133 36620.4731 34200.9341 12803.2043 41193.7174 15786.2201 33286.1842 41040.3694 32306.7572 48180.0171 42319.3221 67514.8335 20969.5403 22226.2176 21500.5271 22451.8452 19387.5627 15967.8557 25484.9648 46537.5584 26702.7825 26452.5243 19816.2673 23971.2763 23199.7055 13931.1826 33855.4751 31710.4321 24430.8449 Cer(d40:1)_M+H2CO2_feature1 Cer 40:1;O2 137185.8936 95160.2680 147425.3460 56156.8194 49032.8786 126508.0519 96191.0658 147989.1177 120.2860 130.3155 131.1659 139.2201 136.3062 150.0300 110268.4379 107604.2208 93813.2084 113215.3225 116900.2785 116982.1041 118961.4077 118838.8607 137952.9235 124243.1867 134720.5154 215867.3060 199343.0686 111015.8897 130124.6680 141020.1980 71750.8892 131157.2702 73282.3868 80352.0580 200251.8423 148068.5608 205676.9571 178210.3381 254612.5064 123133.1903 120856.5587 82298.1862 136008.7178 90898.4449 101585.5496 132596.3641 169060.6883 138936.1891 134683.0135 90704.1804 107270.2400 86016.3911 75182.1084 106019.1182 142099.7384 73742.2491 Cer(d41:1)_M+H2CO2_feature1 Cer 41:1;O2 289002.7746 215978.8411 173744.2804 113441.8327 84745.4787 258960.7709 195213.0964 283944.7857 127.3130 131.2170 121.0628 132.1716 141.6966 137.2306 229989.6066 235365.0679 212632.9520 242521.7057 233748.7268 252466.1220 240016.7607 211097.7967 232176.3384 199083.1298 203489.4233 467486.8757 453353.0421 237631.7460 261036.3707 287355.0183 191173.5480 237965.0828 145740.1571 123474.9893 485858.6234 370544.7311 465393.9983 368210.5203 594457.7253 271300.4763 270388.8249 206086.4880 278913.7879 203812.3669 236118.6829 342050.8367 366443.8400 341914.8520 286011.8423 199623.8406 183959.6711 194221.0085 155589.4393 204903.7084 313665.8424 154372.9366 Cer(d41:2)_M+H2CO2_feature2 Cer 41:2;O2 63026.4154 49297.4164 39745.0242 40781.6716 29381.9551 84082.2657 37039.0310 63464.3846 134.1646 139.8806 142.0832 147.5551 181.7039 170.2766 48609.9555 47154.1367 45711.6109 45173.3071 51051.3362 53594.2079 50331.9821 75163.0456 87936.7607 80513.8210 98767.0779 92598.4591 64976.9169 47627.9745 50429.7480 56712.7019 27522.3369 54770.6419 54555.0549 50315.7341 67316.2001 69908.9730 81543.1294 62237.6181 139536.0292 55802.1359 53052.3599 76361.6272 42001.8872 28120.3230 27197.3713 58811.6158 77206.6750 44715.8507 49514.0020 51959.6810 51166.2667 44857.0361 42131.7421 51594.4231 62137.8668 48357.1705 Cer(d42:1)_feature3 Cer 42:1;O2 869026.1617 616646.0959 695594.5122 375600.8571 351941.5845 814122.7886 663341.1236 1003286.0750 476.9823 442.4950 468.4617 486.8724 514.2215 477.0825 785422.1555 755554.6309 724528.7136 762331.8762 823635.5431 806202.2750 796203.8790 881998.3671 887918.7631 776466.7025 833997.0712 1387979.9800 1475077.3930 733189.5153 832817.3826 990306.6240 580603.9298 831627.8518 542642.6217 490707.7716 1440026.0150 1017136.0450 1241150.5080 1158310.3710 1560461.9150 818806.5860 936275.5683 670466.0981 936890.1375 680801.8660 750770.0249 930767.8443 1118296.4720 1034054.6600 941565.2649 698724.8401 671185.3946 665471.9848 543814.6340 687012.0482 934472.7535 495832.5288 Cer(d42:2)_feature3 Cer 42:2;O2 485056.2794 301194.6998 782124.2873 212531.7198 209890.8150 505427.9054 347965.9320 459092.6469 407.7335 480.6194 471.4784 431.1915 458.2370 542.1272 374374.0615 342911.8492 310888.0321 386300.9978 372396.8885 375427.8636 368900.8217 397723.0281 469033.0872 474973.9897 522474.5984 720920.3551 672419.4122 372977.2397 433101.2174 522898.7635 261271.7438 408346.1147 244152.9884 267342.8992 690794.6149 472272.6584 646845.1723 586933.8020 830117.8926 433958.2964 415657.6199 346504.0805 400999.2921 325119.0831 344956.6235 476278.2187 545961.7972 480293.2593 411701.5371 314078.4122 370638.4493 314729.6873 296955.9988 312539.6118 506365.3007 288145.9908 Cer(d42:2)_M+H2CO2_feature3 Cer 42:2;O2 196379.5183 172880.6350 159610.4889 152606.3435 139069.7116 273696.3612 143254.2407 229601.6976 153.9702 145.6722 156.1716 173.3688 183.3865 172.5419 187771.8402 181632.6069 175677.1409 185960.2079 185907.4372 198490.6126 184807.7810 291375.5231 318233.3448 289265.6526 316832.1035 191956.3549 166550.0903 169079.9759 374574.1875 223477.8620 81532.8764 194240.2415 254221.9887 217546.2434 191536.9299 223049.5199 190599.0758 145075.4104 265648.6476 196962.1712 221509.9470 303524.6842 330939.1678 127490.7454 102714.1405 124837.8027 252077.9921 169272.5040 373162.5675 206786.5426 209339.1506 183487.9758 157424.7900 117534.4827 131853.8768 179405.8167 CL(70:6)_feature1 CL 70:6 34210.5351 33183.0813 24394.8135 14492.3037 9468.0663 31324.6279 18729.3577 32749.2640 193.4311 190.3969 198.1849 217.7548 227.4063 216.0446 30760.7653 33025.6406 31219.9817 33466.6335 39262.1326 35318.2031 37283.7810 28893.8576 30217.3180 69751.4122 75564.7439 58923.1297 64442.6807 26765.7867 30187.1039 32326.0616 22996.2527 32208.3013 17919.8723 19075.1976 53483.4941 49405.3074 56174.6362 44716.8771 71548.3951 43522.9068 32509.2358 25424.3859 26722.7396 22950.5928 34131.4698 35751.8072 42596.7235 44494.1393 45164.7054 24000.0706 32973.7065 19817.4101 28546.6234 23922.5414 32232.4444 18273.8562 CL(70:7)_feature1 CL 70:7 25147.0002 19440.8882 17072.6575 18661.8559 11671.5188 49901.8991 19928.1931 15129.2542 154.6768 170.6734 164.6268 172.8733 185.3519 201.8111 18084.6221 18109.6411 19596.0832 18833.0162 20388.8356 20262.3233 19873.2753 34350.8236 36613.7545 64935.3292 81022.2329 26008.0870 29047.9440 16270.5222 17942.9780 16166.8397 5368.3497 11357.1348 8486.7757 12892.5294 30198.3393 23715.8344 17315.0915 15786.9474 42931.9908 7381.1706 6970.9848 7511.7360 8206.0322 6169.9560 13390.3176 20806.7227 27000.4190 25633.7420 17603.3375 11421.4572 7371.3904 11053.1369 12713.6399 25403.0280 12388.2220 6457.0363 CL(72:6)_feature1 CL 72:6 62396.7940 46040.8490 57921.6918 25674.7610 20035.0411 43260.8228 41152.4862 43832.9411 245.5820 214.4443 227.3290 247.6894 229.4951 266.4047 43139.3535 51105.4972 50049.5186 52068.6838 57667.1411 57199.3616 34591.5426 41204.1085 44440.3388 71506.1064 84705.6980 96536.2308 92992.1577 62146.2662 60379.3764 60171.3936 30149.3759 52436.4351 34366.7982 46553.6902 90899.1499 84173.7196 93630.8899 86551.3041 125109.7792 50131.5821 38839.5151 26934.9494 55866.7313 44330.9114 28752.7480 52674.7540 87103.2244 69514.5467 65139.4671 20947.2644 22248.8158 33183.1019 17796.5827 53431.4596 60055.9449 14283.6087 CL(72:7)_feature1 CL 72:7 238535.5842 194299.2330 194498.2152 150578.1180 101640.8506 268552.2377 185068.8224 169349.7406 529.3005 395.3900 457.1291 365.3394 612.0593 376.7237 226544.8749 239272.5698 230927.8831 235107.2562 281903.5713 267814.4094 273432.5894 273129.3180 278822.0977 323870.4509 358581.3587 381770.0974 425319.0490 288706.7188 277416.0042 330989.8602 147750.6546 239137.7701 162507.2663 191854.4807 353689.6157 337917.8158 348967.2722 348276.9841 585881.5178 222084.5755 229894.0777 172467.6651 257008.1045 187888.1322 173522.7810 238661.8214 431607.4838 294790.0764 290483.9064 171456.6710 127113.6311 184364.5923 135255.5704 225727.4724 238012.0812 96382.8029 CL(72:8)_M-2H_feature1 CL 72:8 382568.2660 290626.3343 308319.8181 358527.7529 218307.9455 652088.9773 416167.2457 399898.6981 306.6236 319.9470 356.7029 330.3515 354.1974 385.6499 456818.7549 463033.4624 477021.5935 467489.3665 482823.7741 497098.9463 511261.7484 627272.9935 748418.4925 436419.7587 553774.6185 637355.5187 758291.2925 648177.4684 549601.8327 719796.4486 306102.0394 530032.1455 345242.3543 427268.0904 664237.3789 642016.9614 559892.9620 705021.3019 924388.0014 472846.0427 491624.8376 311522.1590 547877.5598 415837.8364 367434.1171 377654.5084 776843.5011 535404.5100 548738.2749 471876.1895 477882.3446 427795.4617 317795.5169 469090.8076 461569.2822 281990.9293 CL(74:10)_feature1 CL 74:10 67516.9525 54759.5839 47231.4421 45520.2436 33431.8626 80431.8298 53376.2090 51619.3063 199.0296 204.7041 203.9211 215.5799 233.9881 222.2976 62517.9422 63086.2831 61421.6428 60370.0129 74445.4316 70946.0163 71887.0098 74085.0126 77950.2906 75836.3338 88723.4220 88595.3299 94989.5960 78707.4755 78903.0604 82907.1477 43100.0128 69902.4783 48982.7633 56567.9149 90206.7722 84088.5924 86415.6950 83713.5195 88790.2369 62486.2551 61990.6104 49407.6526 69422.0276 59093.2287 49359.0894 65893.9606 95587.1478 75123.2381 79915.8237 54107.2106 40299.7646 54304.8727 39450.9183 54481.3112 60966.5639 31257.0727 CL(74:11)_feature1 CL 74:11 91361.4179 71032.8027 74661.5674 88578.9666 59307.6439 124593.1804 100845.5547 96736.4397 191.5815 203.7803 197.7381 206.4070 221.3061 240.9580 104236.9336 97403.0860 97597.0404 108503.0208 105438.5621 111372.5990 113319.9335 120325.9787 140247.4554 92374.6501 116927.3671 113985.0307 134711.2130 140447.4141 122553.5277 129341.1156 77908.3458 114658.3319 83494.2372 101564.0323 129072.1739 128450.7286 119282.3619 133560.3526 144400.8952 100833.2016 105129.3466 77419.1410 113921.9217 100740.1508 87415.4371 82708.1785 130250.3387 114189.2751 112687.0766 112943.2699 107102.7530 96224.8795 75523.5816 105557.9237 96447.1271 79184.5326 FA(22:6)_feature1 DHA 65185.1581 70604.5262 46272.5314 32253.6613 13168.3837 43599.5480 16030.3400 25522.0299 92.4822 221.6547 161.2621 99.8004 234.8458 245.0678 30575.4645 32215.4591 37647.6447 44486.9379 50298.2430 47935.9301 44763.6305 139704.8370 197588.6050 111809.7210 162201.5616 50663.4466 61035.3098 23264.9340 15753.0709 52131.7842 14452.0746 39124.6921 30987.0976 36707.5107 40827.0659 41647.7947 54351.4149 24994.7494 30303.2732 42044.9230 19693.5626 40255.7441 29459.2873 33888.6838 50333.6474 40806.7537 45505.9282 55096.6452 95704.5875 66796.0389 37122.0184 46009.2110 32300.3161 35373.6527 67193.2003 31027.5852 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z_d7)/0:0)_ and_PC(0:0/18:1(9z_d7))_[istd] M+ H2CO2 113127.6456 111063.4765 109846.3501 117908.2559 114073.6134 118608.9145 113859.6430 121058.8267 163.5081 145.7426 143.9964 168.4837 162.6338 162.5549 108313.4252 108249.2733 108549.9595 113567.6722 117329.1815 117840.8178 124004.9594 104294.7996 114910.5742 100496.2525 114083.7225 105191.8799 119919.0258 115325.0800 117143.0472 110773.1819 111957.7199 119788.7866 121451.6787 121182.2988 115754.6379 115743.2943 115941.0062 112340.5669 110340.9755 105905.1826 104469.6854 112854.3313 115741.5010 119109.2908 103472.2889 118296.5346 110350.0319 117591.0560 118807.9486 120909.4865 118930.9681 109977.2499 111725.9706 114078.0705 116493.1203 111907.5806 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z_d7))_[istd]_M+H2CO2 562274.1139 509870.3674 432279.4972 625178.1226 544824.3508 504088.4163 559549.5017 631178.0742 206.6597 191.5314 191.0592 212.2378 215.9142 217.8566 492874.1139 503253.9841 482679.9513 552450.4901 562231.9580 552618.2593 538623.4439 470384.7793 559162.0174 503196.6030 579610.1977 430169.0899 521871.3931 540929.4815 576509.2394 473490.8498 532513.3505 568810.1754 620374.9078 631099.2089 557016.3524 502012.4412 504955.0344 515799.6921 413627.1920 511899.3271 471878.5122 521189.9595 503637.7412 568840.8389 492363.9280 553977.1012 449109.2035 515315.0349 517176.8235 581014.5675 584792.5609 483771.2869 559412.6788 603150.3326 493301.9296 561886.8718 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z_d7)/0:0)_and_PE(0:0/18:1(9z_d7))_[istd] 45667.2991 44247.7860 45994.0270 47759.3250 43501.0728 43202.2331 45144.9259 48118.4044 128.6592 124.8266 123.3310 143.2016 133.5066 139.2261 42992.1809 42443.6464 42849.1253 43185.6346 43392.0403 45566.7455 45193.8511 44177.6383 48730.5559 47590.1575 47526.8867 41868.8058 43074.9955 44900.3245 45081.2271 41820.6213 44681.7730 45140.0367 46817.3515 46103.5079 45322.5508 43676.1234 46305.1579 42731.4045 42524.4112 42178.6064 40263.0848 45073.9909 42997.8161 47091.6045 42531.8402 43057.9568 41712.4626 43803.3693 47249.3151 47042.4429 47520.5341 43698.2477 44512.1008 44574.1684 43314.8003 44579.2162 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z_d7))_[istd] 38512.3387 36521.6448 32096.8005 38888.5405 36976.6899 36754.3630 39032.7287 45152.9719 174.7200 176.0960 171.3500 248.3013 210.1462 184.6674 31932.9196 33179.7162 34666.7702 36287.0661 38791.7255 38637.9829 38516.9452 31911.3607 40329.9097 32609.6245 41116.6977 30302.6204 35230.6254 40095.3340 39810.7075 33304.3130 38900.1633 40867.9060 42757.3335 39605.7992 39045.7332 38422.3395 38019.2653 36349.5612 32644.3891 36019.9847 32618.2314 34781.8622 37399.2327 40672.0200 35324.9676 35967.8581 32308.0807 39648.4567 41866.6764 42631.9826 37400.8083 25009.8190 37236.3632 41886.2551 32643.5956 40127.7176 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z_d7))_[istd] 245701.3025 243395.1173 196556.9776 234735.3757 225509.7538 239092.1518 236641.1120 253699.9149 175.5218 165.6258 168.1369 188.4378 184.6066 191.3080 219564.0774 213169.8707 231721.7547 231811.8702 237211.9358 248418.6147 248191.9741 190605.8281 240521.8384 195231.4575 232903.3237 214120.8222 243412.0284 255980.2931 263613.8664 233722.3614 216142.6981 250244.5585 229700.8877 264248.6410 254209.6051 258606.6775 252772.4313 242086.0336 234117.5560 225509.0327 224435.5118 219214.8002 236976.1549 244868.9314 225595.5404 234570.6875 207564.6269 247725.8248 238582.1867 247569.7253 237635.7055 210851.7801 233814.6298 242727.2652 219613.4359 235172.5220 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z_d9))_[istd]_M+H2CO2 107549.0698 104044.9513 90003.9293 115706.9463 115203.9231 103160.6402 115093.9547 121967.7559 168.1213 158.6425 159.5917 180.4927 176.9712 183.2419 92493.9236 91759.6496 98205.7802 99187.0574 108680.2611 114262.5809 111499.3773 92405.2853 102236.7088 90197.5617 102506.1263 86575.9086 102309.4695 106008.8664 111909.9823 94912.7134 97338.1098 110170.2662 115158.9456 112409.1988 109198.4113 101279.0042 104846.1862 110216.4215 88434.7978 105016.7176 95502.4479 92006.1146 101202.0024 109000.0407 98982.1264 104099.5250 88733.5915 104757.3226 108591.6759 119316.7854 112253.2495 93070.8619 110970.6462 109492.8045 106337.5975 112565.9155 HexCer(d40:1)_M+H2CO2_feature2 HexCer 40:1;O2 6727.5180 3211.9912 141890.6824 2796.1147 8007.7648 5549.6547 2948.0539 4666.2901 115.7388 134.8221 135.2934 120.4883 137.7588 153.4596 8793.5021 10568.4984 13843.2653 15533.5207 10863.0403 15987.6511 10145.3666 5742.2342 5782.4483 6003.1003 6570.4276 9536.7379 13370.5953 12811.9213 15684.5899 13499.7414 2288.9497 10097.8418 3544.9145 10535.9050 14676.7415 9937.1202 14661.3939 30793.3509 37481.7594 4441.0998 9887.7896 3738.4672 3936.6457 3313.3353 4182.8958 5389.4164 26073.9384 6672.0571 5966.6498 5084.2710 9426.8933 3673.3742 6511.9267 11204.1838 16737.1906 11907.8786 HexCer(d42:1)_M+H2CO2_feature2 HexCer 42:1;O2 83113.4883 9581.2350 255232.2068 8323.7525 19363.3915 85369.6695 68185.9788 12028.2946 142.2881 167.7234 164.5334 150.4867 156.6463 189.1879 22890.2954 32688.5073 27895.1072 25915.6019 35402.8720 38365.6521 37894.4852 94771.2502 104690.0399 81232.3804 13858.0866 14979.7737 22130.7859 45352.4921 52731.9032 35541.3930 7238.2645 26363.7954 8774.0980 23364.4557 35947.2529 20581.4721 130262.6707 180258.0277 215973.0861 9315.0058 16290.9859 9896.6902 9229.4202 9210.2880 7488.9656 11143.5125 156909.5221 75903.5642 86680.4679 77692.3304 19426.6987 9842.3579 11418.0804 21370.8558 37776.5779 22917.9347 HexCer(d42:2)_M+H2CO2_feature3 HexCer 42:2;O2 12803.8569 5636.5312 363307.4989 4138.7901 17392.3463 9869.6201 5175.2271 5736.1923 122.3134 153.3113 158.5413 138.7717 139.5257 161.3484 26771.7919 35930.8188 32525.7920 29704.8532 29958.2280 33302.8291 29374.8928 8729.6516 8882.3095 9117.2404 9516.7618 11984.0094 31236.5300 46072.7472 46344.3404 31419.1074 3389.6647 19394.0082 5819.1981 11413.6676 30845.8285 13181.7061 42506.3423 131571.1250 155705.0941 8048.2261 13423.5550 6605.2047 6992.2722 4979.8824 6410.9835 8400.2763 89222.7561 10784.0675 8858.6182 11131.2738 18352.5514 7399.0088 12714.6045 18108.5781 31638.9509 20527.2977 LPC(16:0)>LPC(16:0/0:0)_and_LPC(0:0/16:0)_M+H2CO2_feature1and2 LPC 16:0 647752.9384 461334.7676 804888.4049 490320.0311 389222.6965 608861.1354 758400.9924 378055.7591 178.0085 346.8230 381.4268 635.0617 803.4431 849.0523 512904.4554 501274.9661 509942.5409 519945.7538 551938.3289 569969.2109 587930.0034 552645.0650 633633.8912 558030.1749 639756.0429 656395.1850 712821.7185 472984.1376 461948.2654 647439.0770 319517.3151 441780.5857 327496.9191 325128.1645 652013.1530 609391.1459 551313.6322 596829.8744 967494.8756 451096.1694 543756.7320 347930.9047 554183.6945 376705.1407 307391.8196 499614.0400 638588.8605 504742.0073 537514.1081 562214.9192 584351.3030 404678.8489 441073.1539 506061.1550 581206.6493 591837.7457 LPC(18:0)>LPC(18:0/0:0)_and_LPC(0:0/18:0)_M+H2CO2_feature1and2 LPC 18:0 1039419.5390 819450.4625 1410806.6680 559084.0587 477612.8112 922699.7012 928736.3567 633913.4414 218.5108 280.2951 162.5702 561.9244 517.8232 790.4177 806703.8527 819790.7115 872825.4031 965193.0282 877106.3333 927344.3833 957309.5089 774719.3972 906594.2109 698011.1392 791507.9504 1346556.4040 1287559.5760 890375.8190 901334.5011 879075.8868 540294.0861 696653.3133 517465.2085 510008.4734 1320697.5480 1208830.7820 1301853.5540 1169115.1130 1678671.8630 737733.2407 893019.9349 540486.1159 886530.0367 565452.1155 591508.7504 859236.3893 1108548.5980 968855.8378 986349.1106 756670.9758 729708.8899 647936.3112 565925.2160 805622.7845 1172774.8550 701114.5024 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_M+H2CO2_feature1and2 LPC 20:4 58183.6461 43673.7291 80839.5610 24346.2069 38336.3303 48462.9815 50837.2165 42808.6442 287.7853 296.9659 316.2357 289.2483 317.7125 305.7576 47065.6198 47763.8674 47902.1483 50283.5045 53045.2711 51298.7603 55697.2734 61784.0988 57531.2306 41489.3009 52334.6043 58138.0403 65100.8698 44650.6648 48447.9304 50238.7611 27091.1814 42767.0520 24333.5784 44811.2782 68510.3261 67396.2454 75347.6530 61856.9749 104845.1802 41974.9161 67051.1702 32682.0374 62440.7182 39779.6548 28605.5978 47670.8784 56995.9478 47152.7369 59337.5469 39173.5410 33083.5576 36922.4511 32838.9320 38337.7015 52001.4989 45714.3647 LPE(16:0)>LPE(16:0/0:0)_and_LPE(0:0/16:0)_feature1and2 LPE 16:0 86238.0922 67101.5927 63274.2989 42026.4208 24400.1815 43858.6284 69380.8974 38173.0878 151.4886 131.2589 128.0267 156.0984 150.6786 146.4527 51901.9069 52429.5038 53008.6558 54679.8837 57765.7014 56724.1252 58257.1427 46683.4611 52138.5062 64209.2791 67134.4283 100728.6263 99367.0616 41355.0573 45616.8340 54285.5376 26314.6112 35223.8980 23108.8088 19756.9680 81390.9028 75876.8507 64776.1855 59898.0342 119429.5552 41374.0659 42758.4702 28515.0636 51893.0620 27590.8604 35229.6925 68919.6758 72713.7045 67106.5307 73290.8576 41450.7909 36966.8250 33796.3188 39806.4455 60962.4017 66136.4470 38607.8278 LPE(18:0)>LPE(18:0/0:0)_and_LPE(0:0/18:0)_feature1and2 LPE 18:0 239506.5526 156492.0242 216289.0158 147169.1227 77098.1221 147513.4701 206228.3442 126853.4745 114.9105 165.0539 122.1789 119.2879 159.6804 156.4233 157577.5359 165072.7720 156189.2769 183870.5254 169662.2420 175664.5264 181611.1321 148765.6193 166591.1891 140282.2600 153606.0580 283544.8951 299561.4072 161933.5650 154199.0314 188888.7624 115767.9441 125614.0954 84710.1819 65499.8060 248430.9310 229439.4578 237402.3524 206486.6515 324802.7527 171314.8672 162778.6979 102935.0715 207445.8293 114594.7562 114781.9749 186436.4716 232152.4369 194550.8764 212293.1085 145253.0547 127101.1303 134826.4629 119218.8035 185293.4564 231526.9605 115119.1688 LPE(20:4)>LPE(20:4/0:0)_feature2 LPE 20:4/0:0 41779.0517 33388.5063 33573.9054 16335.2939 9634.7465 24681.0576 29446.3672 26029.6213 219.1190 226.1091 240.7811 216.9908 241.9055 232.8031 28239.8467 29740.0135 30885.8179 30853.0076 32291.8243 32903.9230 34396.1186 27159.3381 29992.8859 24394.5819 26091.3143 37250.4197 52358.9333 28564.6920 22319.8324 34339.9534 19760.8396 21278.7545 11188.9392 9017.6044 50716.8814 47325.0145 57577.7047 32856.3522 89294.6661 32223.0557 29865.5491 16535.0544 44017.9424 19580.0054 20822.5985 36450.6236 51285.0113 33220.4724 52952.3938 19981.6573 13557.4169 20828.5675 17712.9861 28615.0555 35000.4380 11160.5908 LPE(O-15:0)_feature1 LPE O-15:0 27144.2808 26374.1536 26045.1976 26357.2626 25866.1999 27101.6411 25941.6162 27202.3917 120.6573 117.7031 115.9530 135.0295 125.8878 131.2808 25405.5472 25281.4117 24570.5966 26038.0601 27075.9496 27210.6280 27295.4230 24992.2805 29563.5209 25910.4176 28919.6699 23152.8089 26188.9850 27058.2391 26905.8541 25812.5504 26160.3520 27876.9475 28191.7941 29156.5889 27621.5814 27606.0231 27843.8781 26087.0502 25549.8488 24863.6340 25300.9676 25082.1951 26275.0920 28045.2298 24756.6936 27339.3749 25116.9974 26447.8230 28140.0721 30239.0704 29196.3525 25008.9801 27166.8704 27563.7342 24904.4218 26364.2758 PC(30:0)>PC(14:0_16:0)_M+H2CO2_feature1 PC 14:0_16:0 60390.0828 40805.4887 182610.3284 63533.3584 43128.1190 101123.3438 64944.5722 29326.3920 203.3014 207.2311 184.3752 209.1280 217.2758 204.7427 51687.7972 48764.8640 57209.4008 58486.9058 60781.1549 60724.1090 62214.7696 70533.7573 82038.5617 69440.7903 82326.2913 64260.2027 56558.9743 59253.7250 63029.3669 63604.4657 20524.7228 47631.6182 24109.7965 38432.8529 69251.5363 58685.8364 55516.8132 75168.3158 99556.7201 28550.9438 27253.3007 21116.8875 42469.8989 27026.3284 28682.4213 48988.7775 63823.5140 49546.4065 54655.2402 49343.1333 64972.6651 31067.1849 50061.1675 59172.3450 63558.0662 74884.9805 PC(32:0)>PC(16:0_16:0)_M+H2CO2_feature2 PC 16:0/16:0 970738.1434 688445.0105 2309849.5520 970926.4518 885430.3191 1225377.2200 867289.9413 760869.4163 273.5650 217.2175 655.7201 780.0475 817.9596 499.0784 831248.9403 973198.4284 985368.5210 996292.3566 1042517.3260 1090770.5120 1026514.9740 969725.6689 1147534.1790 896700.3260 1018831.9850 1050612.6020 981374.5681 966851.1909 1046411.0480 1184598.7370 730602.6592 1003317.4670 675538.3584 786716.8211 1087789.7570 1095064.0910 1200085.0460 1245440.7850 1545566.7480 880614.2556 826139.2488 675474.3918 933110.5553 731070.7059 618924.9549 853335.4301 1100847.2280 851250.1889 884543.5066 929934.2087 1097591.3980 706997.1310 721357.4443 841554.3329 1126429.1700 1090983.4600 PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1) M+ H2CO2_feature2 PC 32:1 260513.4072 193071.4247 347793.5287 158066.0294 111411.8605 293125.1812 183360.9421 89854.7397 187.4980 176.9267 179.6092 201.2952 197.2027 204.3613 154600.0820 151081.7855 163034.6987 170342.1855 184842.5313 185511.0694 187309.2822 187085.3663 203212.4309 390846.6776 467388.4607 200992.8109 165336.4149 163131.3168 176544.2189 158602.2486 55330.4656 139052.4812 85350.0147 138424.5147 248064.7176 150279.8483 147880.9600 179238.0198 305064.3973 77025.2889 74502.9251 65265.2646 96971.4306 50262.1165 80362.5422 193668.5227 208976.6020 149111.9960 172968.2324 124192.6788 131838.8475 86321.5289 135156.9451 237171.6294 145250.4614 151719.8498 PC(32:2)>PC(14:0_18:2) M+ H2CO2_feature3 PC 14:0_18:2 40956.0662 30292.8239 45390.8273 46234.3777 22786.3952 86349.6249 55105.4448 23563.1744 194.0636 168.3337 173.8530 202.2148 194.7434 196.0259 41781.8210 41969.2956 44047.4542 44568.3126 46372.2530 47978.1346 50808.9199 77302.8391 88058.3838 58215.1256 52142.9537 38067.5050 55689.4034 46575.9072 31562.3974 70823.7357 26072.5739 45729.9064 22570.2164 25732.1448 58371.4102 32737.9525 42423.9475 54595.0992 75846.1387 31578.2251 30080.8694 15413.4321 51846.9218 30322.0140 27132.3329 37941.7128 67226.4996 43439.3463 45442.0660 53718.1757 74337.6828 34567.5480 38507.2766 46341.2484 36878.4257 60955.4921 PC(34:0)>PC(16:0_18:0)_M+H2CO2_feature3 PC 16:0_18:0 207648.9998 126823.9758 666794.9336 241131.2533 204813.8676 344080.8745 204069.7319 159825.5702 222.3282 219.5858 228.3232 240.0194 253.3579 238.6950 203021.8424 212467.2135 207651.4464 229042.5118 245759.3338 276054.7865 267244.9612 277172.6944 338582.4450 227418.7133 256228.7497 257733.0270 247050.3159 243284.1332 227974.0509 278601.8763 149283.9076 222161.1869 148444.9048 157561.3688 254903.1143 258114.7968 297574.7069 297083.2197 350658.0463 201416.7384 193104.2196 139439.9993 221188.5167 165996.6659 135683.5386 186119.3860 246829.1152 190869.8274 211815.8046 211488.6110 256383.5298 171116.0390 157290.0454 184430.6087 270440.7592 255801.9838 PC(34:1)>PC(16:0_18:1)_M+H2CO2_feature2 PC 16:0_18:1 4378585.1260 3312497.2220 3673117.9890 2840004.0440 2151380.5310 4317418.6170 3929485.1020 2736058.3850 238.5298 299.2762 295.6955 467.7068 387.5372 327.3310 3054940.4660 3427328.2580 3195234.9420 3551073.1590 3606020.5380 3604414.1170 3631444.1180 3782907.1140 4231672.5300 4420799.6670 4748277.0360 4684410.0690 4448669.9590 3797611.7020 3719156.6340 3932399.6170 2202796.1030 3229536.0560 2131675.6900 2760622.0720 5052317.7480 4254251.5400 3889092.6370 4500600.7660 6481838.6760 2648182.4720 2565196.5680 2036217.3540 3151816.8450 2439323.2860 2492621.5750 3782552.2470 4410095.9090 3718073.2960 3870774.1190 2843007.7400 2940843.9490 2437469.9560 2571367.0990 3640897.2810 3839352.1480 2821449.4470 PC(34:2)>PC(16:0_18:2)_M+H2CO2_feature1 PC 16:0_18:2 5287874.6210 5218517.4310 4269085.4140 4168786.2950 3106127.3830 6270768.0310 5605219.2270 4652442.2660 525.2497 403.9390 215.8150 809.9742 790.2376 876.2650 4804491.6630 5440514.4710 5586062.1730 5775085.3140 5935725.5450 5838446.0680 5971639.9090 5596753.4360 6954382.1320 4372344.3200 5394150.3120 7018224.6470 7084843.6380 6375165.0950 6330480.9200 6665670.4560 4479173.1570 5853523.2500 4256895.8070 5424373.5880 6744343.8960 6315449.0340 6572897.5970 6630577.6760 8318244.9790 5104021.3720 5180870.2970 3538308.1170 6535319.1330 5065443.6760 4111683.0430 4978983.2960 6702702.5120 5524519.2240 6095585.5070 5756526.5970 5869647.9010 5066437.1710 4342377.1030 6647820.0120 5788382.9040 5063074.3130 PC(34:3)>PC(16:1_18:2)_M+H2CO2_feature1 PC 16:1_18:2 128241.5686 81768.9867 108455.2658 72480.1846 41717.4677 124383.7712 88030.0028 36377.6088 219.9656 211.2276 212.9255 244.5640 233.3527 233.1774 75833.3192 50171.4731 77202.6834 64939.5391 59527.9631 86924.2280 60794.6826 106138.6612 125108.8481 156248.6556 241002.8074 70951.4781 105941.2890 85905.5781 78698.4537 61801.9715 50264.1484 81021.3064 41457.5582 55561.8346 121917.8532 74206.4185 77784.6603 79701.2630 150285.6768 54057.9516 55617.5502 34931.2438 86101.4671 53468.7220 45012.8620 90081.5347 120269.3954 85156.7502 86847.9570 91434.1466 86008.0192 70897.4787 64352.1007 105452.2714 77279.0776 89511.3392 PC(35:2)>PC(17:0_18:2)_M+H2CO2_feature2 PC 17:0_18:2 56556.6772 50703.2467 50493.6526 49656.6251 33289.5367 101446.9932 73842.2009 64297.3542 218.0726 222.3403 215.6981 243.4655 235.3350 225.2905 70125.9226 65502.9869 77568.0023 80620.9941 84328.8384 88791.2428 90468.4922 100623.2666 119295.4129 56939.0269 71323.1498 89165.5357 111542.5983 102127.0385 95769.5982 106660.0455 70361.1234 95127.5348 56552.1324 72927.8476 88234.8580 99333.1259 95008.0713 95015.9732 118486.8532 79465.1069 99311.0930 48132.0059 112585.5293 78486.5631 52424.4092 57326.1242 106589.9144 82638.9741 77415.5590 95095.2853 97490.6749 84824.3822 50548.6568 94057.7191 70914.1134 68455.7386 PC(35:4)>PC(15:0_20:4)_M+H2CO2_feature2 PC 15:0_20:4 4906.0685 5777.5027 11852.9022 4939.9872 4218.9670 13640.6102 8415.9522 7678.4930 181.2701 178.0105 176.1146 194.4501 207.5614 218.7714 9291.6321 8956.3746 9687.0425 9899.1908 9922.7495 10945.2789 11844.7259 11926.9888 13639.5333 7613.5177 8612.6499 8822.6004 10944.6692 16540.4248 13839.3796 13502.8175 7374.5519 16678.9273 8402.2765 18790.6201 9389.5184 13280.6775 15559.8720 10878.6327 13213.0313 9195.0487 12611.6298 6915.8786 13552.3663 11779.9531 5039.4534 6368.2755 10547.8432 8934.4913 7546.1268 9714.2871 10258.6285 10538.5207 5177.2591 11007.6204 9455.7905 7122.3521 PC(36:0)>PC(18:0/18:0)_M+H2CO2_feature3 PC 18:0/18:0 50143.1846 30019.8756 51987.0345 40400.7363 30229.2180 61702.0670 42501.7155 35359.3805 156.6745 162.6705 180.3907 166.5979 211.4515 177.8465 47064.6160 42925.2626 42586.2765 48776.8491 47895.6757 51700.9823 53677.6428 56597.8864 71611.1280 48460.0921 60917.3058 63621.3786 50890.0644 51445.2710 45813.8075 63186.5164 33825.2706 45105.9246 31993.7740 26782.1646 57155.8481 54464.4312 68300.6067 65636.8830 85482.7376 45778.4812 44937.7539 34016.8404 53185.9615 34436.3718 26549.8025 48426.6401 57734.4024 45477.2843 45056.5111 43455.9394 50446.2617 40342.6763 29200.9293 37228.9445 60824.1466 45326.6678 PC(36:1)>PC(16:0_20:1)_and_PC(18:0_18:1)_M+H2CO2_feature1 PC 36:1 2587355.6500 1947978.4650 1837123.2330 1376326.6360 1040577.0990 2185012.7360 2124180.2480 1839937.9310 261.5947 278.8598 267.9654 746.4235 577.9142 285.5654 1742849.3060 1877575.5510 1884077.2900 1937778.9600 2047416.3330 2135435.4500 2199192.2110 2076987.8040 2480231.2020 2412356.1560 2897611.5350 3145056.5740 2899292.8640 1875473.7670 1975603.1720 2112195.9770 1179711.4400 1660000.0230 1194305.2110 991235.2019 3287485.1080 2563108.1170 2515619.5200 2534099.0610 3793664.8390 1528377.2740 1590651.7360 1121944.4860 1882640.9240 1291212.3230 1552179.7120 2692826.8910 2608801.4030 2504367.4020 2601121.9980 1545648.8330 1405391.4980 1293454.2270 1262690.0770 1895239.2180 2372393.7400 1336120.6730 PC(36:2)>PC(18:0_18:2)_M+H2CO2_feature3 PC 18:0_18:2 6148654.5020 4584046.1750 4272181.8280 3291142.4390 2541476.3460 5074895.4290 4658701.3060 5464848.8400 245.9879 246.4339 233.8288 481.9883 476.0116 916.4551 4734139.9130 4931367.5560 5338140.6910 4694055.0920 5745873.1190 5697741.8900 6326206.7240 5271891.0090 5939095.6420 3940102.5810 4805286.0850 7459996.6280 8357827.8770 5632268.0690 5847219.0420 6165858.7340 4103552.7300 5353912.4210 3916102.2490 3385425.4220 7789763.3960 6396017.1100 7066784.1440 6894271.6040 8477884.9150 5184793.6590 5352931.4210 3666847.0750 7072342.4230 5053118.2890 4487167.9660 5603317.8520 6669458.2780 6900669.3230 6513706.2060 4835434.4230 5462361.2310 4813986.9740 3429187.9950 4767196.8310 6064845.4060 3755377.2420 PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature2 PC 18:1_18:2 1567536.4970 1175512.5530 1088311.4020 1097653.5220 680773.5473 1401939.6490 1663755.7690 1028205.9210 237.8645 223.2324 217.1345 241.8633 243.5208 239.6537 1006980.2230 1393953.1650 1412567.7760 1347847.5370 1395374.6710 1308107.4020 1372634.2200 1362234.9250 1945926.5600 1743923.0130 1773435.0460 2002842.6410 2040010.4870 1238447.8200 1309827.1210 1456997.9250 962775.4239 1034319.1830 851904.3169 803087.9250 2065149.2970 1357922.7410 1409084.1930 1430030.9940 2242297.0450 1132536.0890 1194418.6900 656994.4952 1502785.2400 964903.4294 1064255.3660 1680315.8260 1459323.9700 1545299.5220 1405775.8980 1029501.1190 1059735.2950 928848.8012 787375.5770 1258915.8820 1321224.3020 1057194.9440 PC(36:4)>PC(16:0_20:4)_M+H2CO2_feature3 PC 16:0_20:4 2865400.4930 2769940.1930 3238701.5980 1674384.2330 1549909.4570 3373670.6660 2580448.9360 2882505.8230 196.9824 207.9236 189.7442 215.1830 208.3304 211.0109 3010536.9650 3124969.4960 3114094.8980 3391400.8170 3506427.4880 3362667.8530 3461212.9730 2901440.7020 3331725.0590 2507923.2440 3016206.0320 3954013.0830 4001340.2030 4237805.3170 3995455.1640 3291410.4370 2150800.7650 4177269.4470 2220430.0830 4441537.6560 4055434.6110 4374286.1920 4889508.3190 3970888.9400 4572491.7830 2841836.7880 3138093.6060 2514407.2150 3456618.1310 3314458.2790 2094656.3980 3289036.2660 3798960.1360 3296323.7870 3199683.8030 2177071.4460 2112994.8050 2583934.8690 1796699.1360 3535945.7900 3725930.8100 1655565.2870 PC(36:4)>PC(18:2/18:2)_M+H2CO2_feature2 PC 18:2/18:2 941576.5299 615403.0477 482737.2083 627968.9455 366525.2704 950421.4069 751788.0012 568601.9906 194.8870 191.3825 185.3298 213.1749 217.1544 204.8151 664605.4194 650038.1354 708073.4622 762979.1688 846360.1563 836673.0757 858702.0022 916068.3934 1025450.6230 606369.7154 696355.3673 1133049.2440 1121345.1200 805959.8194 727376.6923 934996.1799 541175.1854 655921.5051 377887.0071 453371.1510 1008245.9280 907748.2848 876051.5591 889622.8157 1396864.7190 687408.6595 641885.6332 362786.3417 912633.4306 559655.3677 545084.5212 712768.5327 888777.8735 819819.4434 943120.2204 752377.6925 681119.5215 670952.3319 501480.7971 838481.9751 831741.4835 479091.9290 PC(36:5)>PC(16:1_20:4)_M+H2CO2_feature2 PC 16:1_20:4 41393.9052 30299.4790 49267.9094 17471.5154 13135.8624 39084.6032 23912.5874 19751.9047 195.3709 177.0109 180.7494 212.6385 206.1080 196.6225 22766.5434 25480.8158 25646.7073 29604.1133 28522.2455 32517.9638 32320.1672 31012.5104 37154.2693 55303.0322 67622.9592 35934.7182 30003.2052 34292.7705 31604.0113 19908.3773 14475.4946 23546.7165 13046.3343 23226.3024 40712.5001 36383.2439 36735.6363 32904.8715 57052.8510 20285.5291 14105.7658 14355.6631 22659.2641 14564.9091 13259.7651 29912.7259 33302.9102 24929.3243 26975.2113 17810.4709 16512.4703 15248.4380 14844.2135 22539.1388 28524.6326 14779.6465 PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature3 PC 17:0_20:4 21091.4303 22911.7818 49168.1849 18241.9184 17635.7120 42941.2996 22646.2106 34618.0276 215.6953 196.9257 203.0394 226.1144 226.2648 208.2034 34786.4553 33572.7100 35919.3436 39573.8804 42285.5287 41577.7569 42756.9654 36862.8551 45215.8181 25018.5252 29065.6713 41858.7563 47507.6062 58075.8928 53192.9583 39873.1719 27620.3348 54905.7042 24725.8787 57998.6493 41628.4817 58130.6098 74258.3439 49993.5326 54353.3129 36580.0069 51882.4037 29725.9098 45017.2261 42601.7768 20885.1678 28982.1525 47325.2646 35537.7195 33027.9459 28676.4751 26520.7805 36349.5102 16174.3124 36062.5253 38891.1814 19794.7339 PC(38:2)>PC(18:0_20:2)_M+H2CO2_feature4 PC 18:0_20:2 142989.5500 82186.0366 86117.5290 115327.3097 60027.5345 162755.7950 133103.0200 83110.2295 240.4116 242.4054 246.8671 255.6132 280.2723 266.9462 93194.1778 94172.8638 93532.3129 102803.4265 106723.1734 114350.0936 113554.9534 161985.8362 235731.7841 177812.6581 205565.6396 161966.9362 118409.1594 96901.6412 86431.6753 129308.7724 58540.5542 86345.0620 57422.6127 42980.3194 146258.7570 125177.4061 98841.1291 124376.7811 206816.4262 85098.7666 66388.2132 48384.3280 107613.9720 59827.4399 67924.8571 138025.6208 126156.9406 114395.7112 120447.3234 88128.9444 83013.3302 65509.8554 71317.7447 94200.5057 143233.1287 80047.9836 PC(38:3)>PC(18:0_20:3)_M+H2CO2_feature3 PC 18:0_20:3 575385.4422 385687.8027 305016.6527 215305.0477 111380.5231 296990.2967 359696.0914 345841.7423 258.4835 265.6560 269.6632 285.3894 306.1862 282.1650 296845.4500 310175.6160 333859.7075 350535.8053 354366.4108 367969.6948 402546.4114 300682.7024 365899.2163 298370.8228 394025.3829 553914.3621 475828.9853 359478.1888 337116.7248 346486.5277 184577.9342 312468.1264 189830.6231 170403.6700 563923.8877 497866.5449 445358.4186 448647.7081 663606.0654 276233.3463 242585.5038 224747.0139 388120.4624 222750.5731 259206.9678 496954.0503 485197.5671 491698.6283 537956.5234 246458.3003 202648.4774 204692.5694 194540.1107 412752.2785 521605.9997 199375.5205 PC(38:4)>PC(18:0_20:4)_M+H2CO2_feature4 PC 18:0_20:4 3290981.8680 2741536.3770 3763487.2930 1576907.5500 1522093.3260 2766283.5440 2333176.4000 3711784.7740 244.8711 262.1205 264.7815 259.1273 418.3207 323.6513 2876882.3460 3208396.6040 3345615.6970 3454923.9660 3530302.2930 3388748.4960 3489791.2550 2658398.1090 3032754.7630 2330893.6720 2608957.4260 4669953.2300 5012067.8930 3306109.3010 3806933.4520 3349258.6150 2496642.7390 3574609.5160 2219477.8630 2535729.9160 5381480.3980 4856289.2320 5915612.1010 4480792.4840 5506860.7940 3670773.5900 3789414.5280 2954288.4000 3880562.3710 3165459.7320 2706940.3700 3868995.8650 3616234.0630 4092066.9950 3714999.9130 2120252.0910 2063808.8310 2376475.3560 1647978.4140 2412836.7470 4806621.8690 1557170.8340 PC(38:6)>PC(16:0_22:6)_and_PC(38:6)>PC(18:0_20:6)_M+H2CO2_feature2 PC 38:6 244674.5250 509498.8935 369106.3410 246467.0399 208339.0270 754467.1035 494258.1413 270936.9654 189.7606 180.4704 192.9778 210.2429 213.6136 205.8247 556937.1285 576985.1039 615488.5548 629481.0176 663093.0653 657578.2997 694892.2930 521588.5923 622102.7833 394251.4289 454125.2171 602296.2121 596079.6679 1184629.0460 909255.3516 617819.9048 312924.0022 1281485.5000 466530.4530 1812685.1950 447658.9029 903288.3109 962417.6558 587318.6295 698195.6626 403709.8355 627557.3124 456091.9302 591254.6232 876944.3066 259749.7756 395822.9552 827725.4896 562909.9808 571949.3452 446922.7759 432954.0477 787936.9004 349598.3896 1084811.8500 421374.7648 271729.0679 PC(38:6)>PC(18:2_20:4)_M+H2CO2_feature1 PC 18:2_20:4 545443.3798 334839.8460 405971.6495 301555.1720 180451.8441 476075.8920 377922.0855 356932.9210 187.3362 179.8943 181.3404 208.2856 198.7374 198.5881 402082.8868 395723.8216 442953.3190 459786.4824 450094.7529 477478.4872 481666.8524 444327.1897 491762.7106 379357.5500 471307.2194 742127.3204 631881.2255 490479.8819 455479.3677 452270.9519 266335.8048 476539.1304 217716.9154 358345.3351 679131.5750 628375.6931 776928.2344 550536.2909 858732.0472 410421.8236 372389.5545 259365.9675 497398.2284 341727.9921 300665.9833 521454.7092 520286.0968 519396.6156 502964.1047 289392.6419 222474.6836 312928.2411 201980.1982 403409.4778 565759.9659 167246.6225 PC(40:4)>PC(18:0_22:4)_M+H2CO2_feature2 PC 18:0_22:4 89930.1553 58072.3843 157909.4110 40010.1732 42015.9037 69929.4791 67066.5562 65240.8088 228.1351 221.8801 221.1279 248.3104 244.2841 242.7379 76986.3305 76749.5292 77118.4355 82662.4274 89130.9529 90167.3087 90164.6648 61973.5865 74307.5822 77434.5051 100728.7587 130632.1340 91709.5594 91273.9031 96200.0303 94776.2339 44167.3379 88800.2741 43086.2857 55529.0360 139781.4948 143220.8959 159038.9511 147773.6264 164683.1398 86440.6967 73100.0787 61200.8342 105166.9258 75689.8059 61435.4673 99459.8464 85920.3631 89520.2144 81016.6880 44055.8491 44322.3389 35185.1326 33237.3489 57957.5989 101880.7783 49578.4130 PC(40:5)>PC(18:0_22:5)_M+H2CO2_feature3 PC 18:0_22:5 122634.8292 88816.4440 148800.2345 70219.2465 65518.4273 132743.9175 138568.4123 142097.1857 231.6261 235.9385 237.8327 253.2766 277.9749 262.3691 109860.4832 126628.2494 124529.1801 134522.0707 137173.6283 134073.9540 130986.3794 132326.1786 144884.4404 123756.1261 147496.8534 135877.4797 147090.9442 131382.2359 114061.7866 180073.8278 107116.2704 187598.1085 98365.4241 147373.6425 121946.8611 142795.3642 137390.3774 133034.8558 151387.9154 168738.4468 144562.6673 111120.8311 186102.4354 146312.6551 97170.1485 121804.8265 143903.1230 139441.4963 122174.8600 107776.4522 107400.9155 131922.3722 104858.5389 111943.2710 147491.6010 72554.6767 PC(40:6)>PC(18:0_22:6) _M+H2CO2_feature3 PC 18:0_22:6 225635.7802 181827.7348 145111.6365 151627.0156 118002.1958 290392.5159 308278.1369 229883.2992 201.9045 246.9508 195.6020 217.1766 221.5639 220.3489 252665.3313 264194.5865 279130.2811 292009.6901 301173.7828 309262.0693 318938.6598 280482.2326 335266.8144 199279.6070 242356.6647 334799.7793 330952.8088 388713.0319 312922.6987 376833.7693 248364.1392 460425.5557 203488.5620 330663.7465 318000.0609 389801.1745 423614.3001 349814.3258 444760.9501 340383.5717 285980.5113 210975.3189 414125.3320 308635.8894 212134.0054 312519.3393 395838.2588 329826.3486 295446.5299 258365.4788 271918.8600 281084.5158 189714.5327 281588.8506 372353.3759 167144.7686 PC(40:8)>PC(20:4_20:4) _M+H2CO2_feature1 PC 20:4/20:4 116497.3216 74662.2171 66078.8661 75248.5242 42065.4736 125035.1890 115522.9375 86488.3418 188.0089 170.7736 174.5948 202.9189 198.3414 194.8964 115898.0656 112716.0583 114605.3105 119548.6502 126270.1995 130908.2624 134237.0470 135848.2385 147304.1294 92440.8597 123135.7076 210464.7243 178769.8316 157778.1718 129305.0277 152761.0932 87310.5803 157325.7307 59527.2791 119475.7910 157564.7245 176337.9058 264111.6463 141211.7736 250049.0326 128696.4157 97543.8883 67185.6854 168750.6678 105445.6316 92781.1779 140436.2208 172433.7699 151732.1691 146838.8691 105076.0896 75910.6289 99787.1510 64408.1625 112859.7221 131777.8796 47177.9551 PC(O-34:1)>PC(O-18:1/16:0)_M+H2CO2_feature2 PC O-18:1/16:0 30302.9363 17714.2770 589752.9114 15451.2217 36473.2282 32247.8179 16133.4232 19143.5097 290.1378 289.9197 288.5962 307.5384 305.2300 306.1374 42559.4367 43932.2107 47237.0472 48762.8590 54330.8532 55448.9348 58586.2538 21907.5298 27082.6940 18752.2443 24496.8828 34731.6882 35148.6110 50181.3609 85917.0434 42200.2130 14366.3955 35991.9873 17772.5586 34714.8070 48690.0585 37099.7539 60878.1283 92665.6267 122627.5275 20964.4459 26494.4226 16181.7757 23358.4096 18703.0926 17684.2845 23015.1233 65545.9173 27748.3913 25884.2752 28304.1191 48804.4541 17771.4948 26617.4980 33847.0590 60264.9869 69307.6042 PC(O-36:5)>PC(O-16:1/20:4)_M+H2CO2_feature5 PC O-16:1/20:4 117881.3150 81810.7615 154047.4058 168190.0017 148165.4898 226681.1574 169201.8159 135846.1441 230.2325 209.7313 214.4657 241.3538 241.5142 238.7112 139575.4390 141917.8032 148705.2511 155956.2918 170323.2188 176089.7158 171906.9257 188271.5350 240645.8830 124360.0129 154524.6630 157336.5941 172963.0023 168130.0523 152756.0646 259477.7065 155947.7810 192113.0148 118537.0947 118754.8532 154680.1154 156231.6193 181486.2187 175032.1597 235891.0185 159154.6263 190254.9847 120855.3508 185718.1609 127545.5404 78187.3133 98890.0076 156716.4724 112816.9447 114093.7300 194442.7834 192164.1198 158216.7111 131677.4425 105375.4410 135349.2874 143089.4566 PC(O-40:9)>PC(O:20:5/20:4)_M+H2CO2_feature1 PC O:20:5/20:4 41409.3652 39092.7378 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277.3625 283962.5670 296926.1908 280189.6047 309469.1838 340796.7527 335895.9270 328068.0995 228437.3851 264141.0276 236398.4572 262429.8222 254547.7115 433265.5977 518922.3036 525259.8972 439250.9603 91582.3914 250024.7971 103232.9327 210376.1444 441598.2400 225801.9022 499416.9270 1067222.1930 1496478.9280 107401.7601 187843.1820 78424.0618 134133.8952 90482.4891 102028.1221 156551.4721 922867.3962 187528.3942 184924.5615 203524.3710 277446.2488 116793.8924 243016.2095 266449.4632 384101.6006 233541.4022 PE(O-36:5)>PE(O-16:1/20:4)_feature3 PE O-16:1/20:4 1723143.0430 1130922.1480 3435771.9270 1397297.7190 1327298.3690 2075300.4610 1418216.3700 1463011.4670 309.3108 298.9416 304.0123 338.9012 339.4282 329.0664 1527655.6460 1533197.1420 1649199.8930 1728120.5040 1787054.9470 1876239.7070 1866398.7980 1878781.2250 2296264.5710 1587385.6930 1825393.4390 2071932.6720 2164472.1870 1663179.9580 1795770.8800 2218089.9880 1349727.4520 1687182.3150 1333080.2010 1100024.4400 2166580.1420 1910813.2770 2226876.0790 2217803.3010 2891072.3670 1624965.0770 1660862.7100 1314105.9620 1770737.2300 1235080.1780 1053969.9120 1380820.4610 2044557.0580 1599980.1320 1630045.9030 1733589.3040 1805370.0440 1282453.1050 1212994.6430 1296774.3640 1849610.7960 1752169.6820 PE(O-38:5)>PE(O-16:1/22:4)_feature5 PE O-16:1/22:4 326984.5565 231937.8567 1148904.0320 243232.9953 302813.2504 355567.1167 285297.3535 281964.9856 205.5741 213.0938 216.6664 229.3019 246.0115 226.7113 315450.4746 323235.2132 348035.9710 364839.8354 375530.3391 393631.1569 416175.2086 222592.5732 314546.7846 283652.6686 342496.1733 442487.3047 408538.5834 381625.2602 421609.0256 440945.4806 217357.6497 385915.8209 232187.8221 262044.4852 484613.8073 446650.1327 539591.7509 514910.5604 633606.6251 322159.2131 304615.7509 241714.6937 365991.8831 293681.0376 232689.4800 328123.3214 382591.3123 322952.7902 321501.0617 290907.2113 314307.5122 208921.3429 217584.7393 295148.4441 426737.1152 350044.8585 PE(O-38:5)>PE(O-18:1/20:4)_feature6 PE O-18:1/20:4 1059391.9990 721874.9610 2526177.4190 858232.5590 1084979.8710 1339602.8980 830957.8667 900682.4583 340.4314 324.3883 332.8302 376.1484 381.7415 367.7069 1071692.8180 1085688.0290 1130843.8670 1202474.6740 1265667.7560 1312691.8140 1288431.7740 1333380.8490 1611372.9620 1100193.1370 1385501.3840 1557127.3260 1452337.7010 1307729.3760 1454144.5740 1272171.9240 747704.7831 1240791.9160 864627.6922 884377.2741 1556638.6440 1519100.0430 1876845.9020 1810306.8850 2352301.7320 1033485.2580 1178391.0940 760663.7009 1112972.5230 909514.3616 731526.2043 1038842.8680 1488869.2990 1123525.1190 1308904.2940 1005475.0160 1338381.0940 782459.8358 729651.9797 959017.2552 1380052.9560 1235154.3590 PE(O-38:6)>PE(O-16:1/22:5)_feature3 PE O-16:1/22:5 49340.1980 32612.1251 68975.7180 24911.2976 24246.9570 33460.7866 25214.8659 21514.3476 187.7833 194.3921 201.9606 217.3471 210.6027 200.6449 43568.6752 47455.8185 49164.1087 49564.4038 45026.8078 53747.9474 58420.8371 38862.2409 33185.2107 36254.6051 47069.6189 71906.6406 48026.5842 76417.7461 67218.9605 29600.9396 18415.0661 53784.7723 25514.2460 58704.9780 68557.6146 85829.4932 77138.2001 86337.5208 74546.4524 27858.2118 35862.6957 24777.0163 40934.5229 41312.7797 32202.9391 42860.2565 66940.1173 56633.4996 57806.1879 33996.2777 53964.3536 30457.7923 22685.7655 73244.7647 66009.1448 35446.4406 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature2 PE O-38:6 708378.7758 550943.8142 1451142.5180 553274.0472 600312.8952 931682.5669 574843.7900 596229.1311 204.6102 198.4144 195.5021 217.0658 221.4508 220.2364 664741.5507 723808.9363 772725.4327 770671.4513 844220.2479 833125.2693 826768.3904 801558.6192 1047364.7990 718159.6342 879618.7769 848710.0900 887577.2878 894695.3177 953273.0758 898117.3464 516680.2334 908889.9955 559840.9537 1003105.6270 883550.0587 900561.3074 1029201.3350 1024250.9220 1346407.6350 668649.3333 742204.7467 509763.3379 733125.4896 651945.3870 449779.6965 623786.9043 1001005.9880 734472.2855 715982.8681 710625.7794 808067.2421 660052.6920 507794.5707 884602.2562 817856.5868 717396.1158 PE(O-38:7)>PE(O-16:1/22:6)_and_PE(O-20:7/18:0)_feature2 PE O-38:7 205200.6105 605819.9071 1079653.2060 272870.4924 217619.1421 1087900.0320 314019.8917 217880.0381 297.6140 263.7205 277.2328 311.9901 298.8325 298.2543 600639.9507 627654.6483 662635.0672 764690.6978 799112.4076 822705.5196 825560.6545 530254.6219 821280.6534 468184.8963 666968.9095 859991.1461 651232.8946 2265587.9680 1355465.6580 445084.9427 296029.4957 2152744.7380 425608.4451 2953675.6520 530573.2173 1159814.5310 1421965.4230 699777.8779 805470.6647 271493.6985 644619.5360 425135.5247 366621.3354 1322556.5200 275920.1441 299020.8182 1211655.1320 789276.2868 670597.3657 552966.3676 857420.0824 1166701.1270 330150.1216 2261150.4660 419040.3717 371991.9801 PE(O-38:7)>PE(O-18:3/20:4)_feature1 PE O-18:3/20:4 46447.1946 27253.9089 104103.2366 36666.9363 35694.2831 49713.2402 32534.9413 36438.2148 170.0407 158.6878 160.0981 182.7786 172.1657 174.6703 40424.0847 46572.6056 46638.4420 50779.6937 49296.5089 54132.4937 46115.3609 65401.7557 76985.6638 49844.1420 66056.7107 47983.6330 58795.7441 49600.7940 52108.9870 61749.3460 34732.5881 48366.1076 31938.8844 25309.9216 57893.6992 52255.5123 65995.3015 69325.9728 98539.7733 44167.9989 45007.5859 25616.4604 56832.6823 32561.1616 27132.6448 43084.0201 56846.6532 44193.0504 47147.5775 42154.5598 62546.9626 29301.7188 32128.3574 16958.0404 53089.3730 46658.0488 PE(O-40:5)>PE(O-18:1/22:4)_feature4 PE O-18:1/22:4 188005.1932 130365.5860 780005.3195 154735.1257 186123.8155 272186.4934 170079.1176 171023.1664 158.3617 199.1307 185.8718 158.4932 220.9395 207.5135 228547.0190 236077.1825 244889.9450 246218.1859 251029.1915 281617.3727 265120.6587 244944.5377 267769.8193 211169.1654 252212.0208 305312.2045 277197.8935 277358.6023 314053.4346 261836.4694 120426.9755 245508.1001 137327.8064 190865.7043 320232.2183 345630.0261 380290.9551 394596.7928 508789.2527 195726.7967 208933.5642 139181.5115 227983.3723 191599.0089 144487.2506 197653.7356 314082.7368 206803.6290 239903.4744 180970.9699 215799.7918 136284.5710 127791.4765 188264.2758 294839.7990 255533.2888 PE(O-40:6)>PE(O-18:1/22:5)_feature4 PE O-18:1/22:5 103457.5762 130749.5942 305922.3715 81188.7043 101739.0236 245312.6125 90941.5459 93033.9002 197.0433 192.5841 198.7151 218.7904 222.0437 217.1539 164208.5782 161707.6120 175528.3978 192445.5219 200370.3006 199377.3761 181447.6502 173057.2765 213350.2835 157297.9152 190427.8823 187479.6588 192420.5402 262404.0067 258762.5393 135178.2248 67379.4309 274783.9152 126963.6419 506721.6965 152152.8168 220715.6122 284809.2722 209603.3561 242298.4284 99321.7938 194286.4634 109960.4453 118679.2353 206687.0472 73814.4939 124030.3581 244515.9030 156721.3524 182279.6329 118729.5764 178938.7536 229321.9209 91389.9768 345783.3310 174932.0021 142786.1182 PE(O-40:6)>PE(O-18:2/22:4)_feature2 PE O-18:2/22:4 21556.6802 12070.0974 209975.2178 23973.1221 40441.5205 24103.6201 30303.2979 29912.9639 218.5542 217.9527 214.4413 241.3039 227.9825 232.1505 32279.4140 36629.1286 40001.4345 39956.9648 43043.2815 43017.6282 43608.7738 32617.1860 37923.7435 29367.1836 40057.7401 28041.2192 27005.8268 43229.7774 48056.9495 52529.2688 22929.6171 36535.8010 21438.3286 11109.1671 47040.0962 30426.8381 48115.5088 47993.6895 57929.6207 32395.1528 34585.1185 23828.0724 44261.2404 25926.0485 24298.6299 29138.1100 46830.5950 27332.2228 29297.8143 30788.9710 41358.1630 17902.2061 23258.4731 22391.7101 47431.0071 43181.3609 PE(O-40:7)_feature10 PE O-40:7 18771.6966 8062.5439 6558.7031 3832.2086 2005.3667 10421.0579 5481.1486 7670.3813 118.1155 111.2726 116.0922 127.0498 129.6164 125.6596 9628.6040 9543.9126 10711.5015 11139.7700 12849.8931 14038.9753 11871.3945 7910.4269 9500.4078 9128.1501 10923.7564 23294.9964 18617.7589 12784.9214 14740.6403 12431.7845 7032.6012 11010.3900 5098.2136 8613.0690 28116.4887 19307.0079 22359.5894 20494.0795 25669.9212 15377.4301 6756.0991 5918.6297 9510.5159 9091.6195 6018.6834 12337.7146 13541.9875 15232.1394 15491.4864 4542.6241 3513.3490 5746.9961 3687.2329 12254.0801 16955.7658 2649.6633 PE(O-40:8)>PE(O-22:8/18:0)_and_PE(O-18:2/22:6)_feature2 PE O-40:8 85206.3013 125522.9533 307011.9510 33428.3965 55269.2046 202948.0069 75451.0565 29098.7643 191.7196 175.0363 180.4704 200.9805 201.1141 183.3616 132212.0623 145976.8592 152927.4863 163213.4157 185903.1480 178793.7307 183398.3108 148035.1461 207683.7718 105407.5276 155061.7536 204867.6548 182513.3832 412652.9017 380327.4899 115397.8769 29540.2076 345036.6564 53094.1350 488916.1393 157963.5036 270437.4548 372480.4248 218335.5908 299302.7600 41153.9603 131754.5283 72415.8539 86554.7648 164545.3176 30149.3077 88299.5053 272762.0051 151829.7861 158791.2261 96835.5194 127509.5527 160034.4156 34975.8016 379099.2182 129855.1952 95126.7874 PG(34:1)>PG(16:0_18:1)_feature1 PG 16:0_18:1 759891.8320 458051.0948 879120.7967 229633.2127 179084.9370 813206.8790 629373.2005 523199.5165 178.1315 157.8895 165.9327 186.7361 178.8608 184.6916 450028.3306 497149.1525 535694.4930 602927.6395 658873.7139 645519.1967 631479.3520 475944.9326 663756.2476 403083.3443 571171.5817 807487.5133 1079780.4380 1181195.8980 907874.2164 966016.1168 268259.0893 1177669.6040 316042.5203 1398307.8040 1217411.3370 941087.8893 1098489.4270 1244769.6710 2046342.8340 610260.9484 563222.8388 339099.4015 764462.6336 751880.0844 256814.9968 679133.2090 942179.0959 660239.1013 605934.1833 456498.5942 504805.5341 637603.4207 284965.5614 1111101.0940 691863.9513 266130.9218 PG(34:2)>PG(16:0_18:2)_feature1 PG 16:0_18:2 85229.6754 60025.1895 47815.0663 61399.8074 34846.3256 122863.1719 89359.8268 73919.7408 159.2425 154.8388 152.8425 176.4308 179.2594 172.7231 69530.2388 74864.6849 79769.5735 82003.6270 83179.6944 85535.6906 82608.6358 93584.6535 116767.7311 63667.1841 77603.7696 111752.5915 118283.1776 88552.2563 79977.6124 106739.0477 54641.1430 85865.7706 46370.5629 63374.2311 116676.4053 106710.8256 106426.2094 96607.6618 148649.6050 76884.6626 75672.9277 47537.0532 100320.2116 73214.9171 53903.7311 82651.4670 110548.6087 94827.7631 87848.3322 74825.2275 45696.5443 69607.5861 52103.3878 67413.9923 81817.0032 34403.5793 PG(34:2)>PG(16:0_18:2)_feature2 PG 16:0_18:2 30992.0642 24931.8891 25953.2095 8162.4640 4878.1366 16834.4436 14137.5340 13507.2310 195.2740 181.7672 176.1764 214.5713 200.0546 201.2499 15217.1691 15776.1939 16639.4784 17466.8490 17023.0815 18215.1339 16658.9631 11894.3206 13508.2841 22514.2560 15506.6594 38931.1057 34383.5494 13771.2896 13672.5999 19052.0616 7500.1123 11558.7889 6903.7370 4497.2061 33290.2094 26178.2636 30378.8526 25202.2930 34108.8878 12937.1740 10784.5643 7401.7490 16901.9046 8969.0262 12411.9084 27089.7815 26565.6843 28016.2028 31285.3388 10232.1879 8029.8824 8375.5147 8559.2748 15669.1022 24343.0580 8679.4946 PG(36:4)>PG(18:2/18:2)_feature1 PG 18:2/18:2 45965.7439 35757.7160 109519.5350 16838.3070 13452.5889 38795.3135 36766.0127 45810.0604 144.0230 127.5126 134.0179 146.4111 148.6108 143.7126 43798.6794 45573.6432 43535.3072 46564.3882 50617.6877 53210.5762 50701.3919 46460.8059 54161.9665 31943.1976 41652.2143 76100.0774 92273.0974 40999.7676 43127.4294 64158.1005 33316.4269 47647.6873 24091.5187 14913.0409 75757.3334 58534.7553 69855.7711 64119.2658 89386.7711 55778.8056 57833.0405 25910.0467 70565.9637 46991.4260 38039.8335 43450.8372 70666.8785 71100.3703 60591.5325 37304.0560 38509.5661 35969.7927 23881.5036 30300.6765 65487.4312 28382.8287 PG(40:7)>PG(18:1_22:6)_feature1 PG 18:1_22:6 33747.8600 22707.7146 105162.5442 13840.1333 10324.3306 25192.3525 27956.6790 31300.6910 172.8564 168.7595 166.7677 189.1420 185.4261 182.4777 27771.8985 31631.2681 32148.1487 34967.1549 30948.1785 31803.0949 34850.4820 30518.6970 37575.5086 26894.8913 33660.6401 46864.1397 30151.7155 23303.5011 30971.8534 34261.1980 20382.2142 31264.5913 13386.6748 15206.6554 40171.9635 41413.4491 47090.9810 37626.6311 63771.8987 32303.0696 23976.6842 15099.3413 38032.1811 22450.0386 21135.0635 50790.1849 42591.0036 39337.0016 36116.4785 28342.4700 30801.5620 24783.4542 21564.3672 26994.9627 61894.7350 26918.8007 PG(40:8)>PG(18:2_22:6)_feature1 PG 18:2_22:6 22704.8247 15409.1306 107565.2909 11743.4082 9555.4560 24596.3217 26132.1174 28855.9974 162.6768 142.6333 148.2411 158.4628 159.6350 175.9821 28704.4791 27469.0919 28446.7546 30897.5906 28833.4049 32474.8572 34545.8033 74141.4356 90515.3094 42260.8862 48635.7386 31297.9647 31275.9352 21622.3661 24374.7959 36226.2012 21010.5176 30975.0654 14169.2848 14562.1677 30737.1024 32726.8581 36486.9868 31638.5959 44764.6922 34736.5242 26937.7533 16939.4401 36295.0799 24403.4807 19554.8253 34148.4112 33465.1399 35601.3907 30458.4284 32254.9837 40884.0791 26717.9006 20924.4575 17819.0944 46645.4382 26363.6065 PI(34:2)>PI(16:0_18:2)_feature1 PI 16:0_18:2 17120.4977 24585.7791 16221.5917 17660.1365 12026.3682 28722.6545 27339.9698 21481.0902 170.8229 167.7512 162.4459 476.4729 180.9793 231.4955 24101.3979 23824.2675 26137.0306 28826.8805 27708.9314 32413.4670 32991.4709 27759.9044 32834.6712 21599.7860 24733.6088 36923.9500 48947.3568 27699.9421 32401.3944 42769.2274 15032.9435 29406.1718 24714.7419 19732.4069 38619.0533 38604.6285 38278.2981 31279.6344 64504.6799 21774.4289 32956.5020 21062.4793 29889.3545 27910.7993 27907.0103 23627.9977 44275.8577 34869.1051 31184.0831 21397.8375 30869.7245 19172.4118 24650.5553 20001.6653 22166.9301 22198.6369 PI(36:1)>PI(18:0_18:1)_feature1 PI 18:0_18:1 95731.3956 96192.1522 63151.4995 47805.3709 28379.8607 91841.1163 69666.6071 103355.1391 193.7754 182.7775 182.3351 211.7491 197.1199 195.8551 73134.3122 75389.4107 91147.6036 86589.0007 89140.5754 90829.1557 89503.0033 65718.8956 75560.2069 98169.3447 124413.4807 129070.5177 175407.7342 89966.7156 101847.3915 91386.8245 60271.3773 87059.3897 70563.8341 68416.7670 147150.1043 123582.0605 99550.9876 103847.1836 176193.7740 78579.2171 103221.1917 70988.4242 69522.1082 79863.0228 104608.0796 111472.3747 139892.7316 140065.7609 94100.0676 53250.9486 52693.7516 58633.9396 52962.3309 73525.0489 66993.0841 38472.5877 PI(36:2)>PI(18:0_18:2)_feature2 PI 18:0_18:2 246306.2736 211699.4236 341671.3680 186852.4558 127327.6408 497039.6317 306640.5946 354290.5425 150.2444 133.0801 139.9554 157.5019 157.6067 143.6946 306799.6199 324083.1217 366852.8414 395429.4417 412845.8776 403290.3911 405836.9878 423578.2548 571709.6365 298046.4377 397237.9117 449308.6076 762052.2861 444095.9529 511347.3917 599993.2181 273282.6801 435365.9345 282424.4150 310281.5903 586892.0239 459911.4192 566952.8898 563452.2502 1063255.7920 344474.8315 577556.1853 263976.2857 439575.6019 387735.2273 270743.9254 238789.3450 671834.2809 455682.2396 371572.8629 338286.8299 462704.1752 315792.6094 234916.6080 280992.0720 284331.8834 224220.6055 PI(36:4)>PI(16:0_20:4)_feature1 PI 16:0_20:4 46965.4032 43054.1340 67227.6352 29122.1127 28346.0905 56918.0842 38053.9808 32308.0203 153.6929 142.9070 148.7739 165.0141 163.0466 164.0400 37712.8827 40433.5571 40383.5266 45301.9053 47086.6445 45759.8329 45316.2473 48051.9360 56799.0941 65995.5056 83056.8517 57305.3489 58221.0897 43803.4748 45490.6402 45027.5114 19225.6451 39356.5880 37552.3798 40313.9929 60207.1064 67115.1944 63067.5631 54055.3260 97186.2013 31026.7207 32513.2893 28971.0006 32033.0868 30003.7620 26542.7334 50824.9320 55462.4658 45798.6055 46115.4210 32677.4505 38769.8764 27206.4613 30085.9133 44362.2158 48730.9994 35275.6355 PI(38:3)>PI(18:0_20:3)_feature2 PI 18:0_20:3 104598.5200 57231.7013 68379.1194 65953.9285 45777.0893 98424.5128 73956.9016 55149.4494 170.2432 167.3858 167.3269 183.1204 186.8197 181.1166 61315.6821 61890.5227 66562.7726 73653.4418 76777.1610 82455.7894 75902.8549 75539.6491 98017.9111 105334.7586 122886.5237 90739.2134 85480.3624 95448.4988 79941.3764 73593.8272 35533.3474 69725.1297 54640.9137 103202.7721 81365.3076 86910.7770 75665.2642 87750.6159 131525.8259 62570.4291 40929.2121 45391.3919 56964.2912 45985.4612 37791.4941 65922.4934 105912.5204 84367.8960 84574.5107 59575.1806 62318.1477 50241.3094 52602.4320 128518.6571 79178.1077 62906.9261 PI(38:4)>PI(18:0_20:4)_feature2 PI 18:0_20:4 1117656.0830 922210.4154 1871777.7250 898450.6530 858010.5119 1967063.8420 1156926.0990 1235472.3950 184.1849 171.5776 170.2810 188.9505 183.0206 188.9464 1127885.6840 1227636.0290 1238600.3960 1350837.1580 1455991.2390 1430559.3030 1403886.7190 1656120.7710 2153050.6320 1741980.4460 2210391.2440 1580287.5530 1980522.3840 1808498.6110 1635611.7330 1613314.0270 908869.5256 1468820.7220 1175122.5830 1759517.1830 1585358.9180 1745995.9890 1952039.3370 1710462.3180 1949468.2930 1319964.5430 1304195.8960 1069118.6720 1255324.3880 1258014.8310 792055.9438 947880.9874 1676510.1750 1354065.7710 1332736.9700 1072954.5400 1241008.6140 1039245.9630 955918.8494 1456832.6990 1351901.7480 934550.3400 PS(36:1)>PS(18:0_18:1)_feature1 PS 18:0_18:1 194014.3721 134984.3996 1417913.4810 192387.0926 234017.0749 367338.7813 199342.8705 223436.4342 229.0997 252.1876 261.9330 260.4228 301.1896 280.0409 214467.1210 195483.7165 204384.8000 235413.8971 247271.7646 240009.1488 251236.8994 250429.4072 304769.9240 277675.0549 338005.4590 246337.9889 274500.0551 223261.4319 264526.0450 275459.9232 100814.1114 239475.0090 193625.2882 223333.8893 196017.5504 169175.3225 311799.7281 307220.5389 441332.3261 177873.4910 225935.0525 154017.5902 126391.3978 120756.6364 158844.8075 148779.6878 299831.5517 160400.8512 175883.0635 214276.8433 251313.2203 180896.9380 169115.9417 198431.5287 196066.9641 168278.0270 PS(36:2)>PS(18:0_18:2)_feature4 PS 18:0_18:2 328977.1424 261623.5857 255912.3903 210329.0286 188979.9373 355165.8929 281824.8204 292379.2212 216.9891 218.6979 212.8038 238.6342 226.9903 229.3430 245605.4220 299655.7367 252643.0938 262210.1271 283628.7362 360677.5736 281542.4364 340052.1153 411253.5784 339663.7385 404941.9768 514817.3787 385227.8882 350334.4330 340247.1878 386318.6121 199679.3541 312901.5145 271941.7839 230708.2267 337270.9606 212422.6204 332341.6973 497808.6047 482805.5223 252464.5306 292911.0361 195824.6476 194480.9109 175500.7019 213476.9947 216155.7332 375596.1214 386302.3221 378921.9571 290900.9312 367008.1434 255086.0193 202917.8027 258513.7559 249291.4493 209607.3349 PS(38:4)>PS(18:0_20:4)_feature2 PS 18:0_20:4 186192.1327 132426.1993 706984.9456 145254.0711 179638.0156 308261.8441 144718.0940 184645.0695 194.4028 172.1937 181.0897 203.7933 203.9288 185.9279 195651.6533 193929.7873 223663.4953 230574.3117 238139.1450 227920.7933 237841.8787 239857.6345 306887.4655 255112.6108 308208.4777 279311.7352 284205.6218 234713.7813 328240.9680 271230.3044 133101.1345 264027.1997 195231.5171 238461.6515 281861.4396 213926.4779 394538.7056 351221.1253 471466.6155 204738.4254 239702.4163 170174.6329 156565.2485 139815.7499 136754.1944 167576.1668 318132.7349 216438.0873 209363.1562 185376.2686 230184.6097 170506.3112 143464.2870 167119.7646 249747.4958 158965.3216 PS(38:4)>PS(18:0_20:4)_feature3 PS 18:0_20:4 348895.5898 249290.9466 114207.0930 244751.0155 153073.2178 296430.7037 325745.8007 367738.1076 251.1922 257.7356 262.0566 277.3392 297.5493 274.2058 259389.8544 256677.7573 275339.6446 293237.6659 323248.5520 346776.8945 329169.5232 295831.3191 372255.4069 226484.5134 309060.2317 341522.0035 377839.2852 302103.2535 334746.8347 324145.2778 262034.9429 317221.9752 249624.6503 209730.3472 391782.1699 318640.9624 360946.2047 362050.3289 338393.1258 301030.7134 286819.6712 202729.2668 329428.2736 306261.1752 292791.9531 287035.7832 282720.8158 338361.0930 366964.3181 358505.0388 310872.1421 259411.4799 226678.4822 281039.7787 275479.0953 261592.0779 PS(40:4)>PS(18:0_22:4)_feature1 PS 18:0_22:4 57033.1124 52879.7839 152675.5468 53605.0914 61634.9909 98394.9641 56638.2173 62420.3037 244.6918 240.0953 250.6309 269.7253 252.4534 256.5481 67682.4789 67742.5752 64496.8714 73195.6316 83525.1555 79289.1349 82721.4506 66656.8498 81008.3113 77192.7203 102308.4240 98307.6995 71572.7260 84198.6647 93956.5103 90209.2033 51585.1050 96698.0635 67270.0991 91419.8999 92328.6727 75549.0264 129330.0971 84282.2641 140566.7223 76974.2584 70265.9263 60418.1084 52614.9911 54641.3131 60598.3458 61682.8361 97465.3330 78458.7792 71503.9050 56006.5059 73900.9962 52349.0945 52027.6899 57375.2611 73678.9196 55100.5200 PS(40:5)>PS(18:0_22:5)_feature2 PS 18:0_22:5 51381.1635 39030.0654 89139.9473 37842.2513 42164.0917 80368.7174 58608.4583 64638.0869 195.0073 178.0379 183.5652 203.3453 204.5629 188.2339 55769.9927 57474.1664 61209.6470 65321.9258 65642.6979 69943.8165 70007.4302 70578.3136 83571.9203 72928.1057 88457.2161 75872.4340 80505.5414 64973.0894 80129.2339 87460.2190 44445.0527 99965.0384 55834.4839 97329.5648 66794.3494 52678.4340 89021.2182 80898.4574 112373.7716 68142.9892 76643.1417 48969.6148 50892.7096 52105.8425 44732.9264 48507.5197 98666.6165 72382.0847 65704.9372 60184.5555 76901.5039 67018.5733 43346.2724 64036.9489 64909.9971 36871.3813 PS(40:6)>PS(18:0_22:6)_feature1 PS 18:0_22:6 6971.0674 28937.5937 24051.1616 19312.6706 16386.0970 44794.6053 22047.5453 9281.3053 208.6594 183.4012 197.5106 212.1672 208.0195 210.2289 27679.0795 30571.4458 32120.3382 34204.0798 34387.3035 34839.8432 35229.1951 36256.6072 44218.9955 28713.7671 35313.2104 26156.3592 25884.0209 77427.7195 53772.7196 27069.2475 17157.1716 74845.8857 27555.1131 132803.4407 13676.0225 45933.9446 51923.7396 28269.3034 29731.7779 17663.9453 36302.1506 23489.0428 22781.0677 52212.3951 9180.4607 11246.6047 37510.5697 25002.1021 26785.7263 24414.1313 30626.0558 54284.9155 18019.9324 78196.1688 16627.0543 20394.6531 PS(40:6)>PS(18:0_22:6)_feature2 PS 18:0_22:6 64055.8261 149522.0883 158626.9024 82229.4561 68391.8156 156410.8618 109694.2686 100455.4465 203.2351 190.7332 188.0274 208.4493 208.0679 201.7508 132587.3803 145251.4319 145061.6029 156440.1977 171192.2359 154747.7909 162202.6549 129654.5170 151776.4983 157010.2518 182380.2229 207729.3047 209474.6544 244233.3178 244852.9859 150738.7601 87894.7856 236470.2579 130319.8041 371657.5089 178679.1935 177479.4218 260950.3833 201604.2321 279573.7060 125951.0320 161122.5752 105736.3211 100480.6261 139105.1987 115096.7978 84062.2797 242222.6951 191596.3082 181988.3297 108238.1036 148720.5645 137783.2960 81372.8852 236588.8042 161824.8528 74525.4658 PS(O-40:7)>PS(O-20:3/20:4)_feature1 PS O-20:3/20:4 112754.5727 67885.9116 189268.2830 93769.0498 101154.3567 138979.6196 91039.7323 100992.0719 200.4373 190.9915 195.9619 221.4666 224.7597 216.4965 98795.9969 98777.1031 106069.9003 119481.5279 136178.4358 141197.0494 135161.4234 121263.6207 171334.6315 99843.9580 147764.8587 142269.0596 132982.1303 131583.4438 152429.5186 111338.7864 69336.4931 132315.8801 94466.0431 98196.1497 163978.2813 153545.8498 184831.4268 152309.5550 160482.5920 96530.9761 108367.2755 70972.0772 109210.0906 99969.2678 70739.0688 94143.0413 118892.3517 113167.6094 143767.4391 108973.3073 135479.9622 74347.8622 66431.5574 97226.1985 120991.7658 128499.4529 PS(O-42:7)>PS(O-20:3/22:4)_feature1 PS O-20:3/22:4 21696.4795 13788.0273 78607.4973 18107.0110 20325.9899 30745.3466 20426.6813 21725.6322 158.1695 198.8890 185.6462 158.3009 220.6713 207.2617 24878.4710 24187.0711 25267.0555 28225.1358 31264.0194 35339.0786 34644.7891 24826.8734 36711.1833 23524.2803 30579.4685 31949.6595 28679.7677 35785.1183 38437.6710 26766.7927 13663.0803 31055.4284 17573.9217 25718.2047 41209.3905 39208.9436 47954.1637 44939.6298 52053.7107 20588.7379 22985.3705 14648.8898 24442.4341 24469.0720 15408.4102 20752.5517 30755.8691 24636.3482 29693.8633 22711.3729 25881.7250 15819.2565 13917.2465 24267.4582 28700.4397 32078.6033 SM(d34:1)_M+H2CO2_feature1 SM 34:1;O2 912471.2808 590223.8943 3228473.7910 856368.2555 1110792.7720 1344860.7900 822430.3846 969057.3588 207.2480 211.2539 250.6072 438.9293 221.4937 483.2484 984008.1763 967575.2655 1036294.3050 1098762.7310 1162170.0420 1134458.3600 1156553.2820 1284129.1120 1503110.0660 1079757.9740 1270865.7050 1061025.0670 1050041.7520 966785.1828 1141607.9760 1198845.4430 725611.5596 1110463.3800 990397.0638 855678.4055 1004996.4490 1059976.1140 1314753.3130 1214457.5660 1493200.6450 1017368.2300 1115143.1740 903818.1268 1013287.2380 774508.6555 556382.8007 752115.6608 902875.6757 791383.5388 814783.8189 1070766.1410 1407130.8690 847846.8618 847888.1948 518632.1664 1101149.1350 1252331.4550 SM(d36:1)_M+H2CO2_feature1 SM 36:1;O2 431280.7813 393399.0248 433925.8338 294648.5819 264798.5732 581315.5591 405306.3574 376435.5147 212.5220 215.5368 228.6174 231.2629 286.5537 539.9915 399741.4614 465188.7043 474084.7016 479805.4072 532984.4001 513930.8654 489194.5658 528430.5389 621859.5854 463608.4040 565224.9905 563495.4056 583412.8795 607349.1883 593916.4261 331505.4108 208483.5752 592429.3593 385964.5366 727103.8988 332393.8845 658730.7584 687201.1502 576144.1953 495822.1274 403383.9043 465649.4432 345868.1454 295154.7038 469546.3950 270885.4468 397427.9413 619667.6585 469621.6627 510275.9720 267030.2244 291579.1632 440336.6006 297851.9446 647713.2757 481453.5992 270152.7094 SM(d38:1)_M+H2CO2_feature2 SM 38:1;O2 120908.2850 82520.0500 88918.9080 91807.8511 121741.4940 140183.4031 107030.0874 112761.1557 201.1682 207.1496 198.3594 217.1757 229.2447 215.4896 110468.5874 118454.2538 120047.7246 127439.9304 129212.3990 136714.7603 146509.5047 129935.1733 166924.0176 119048.3209 137894.3558 161645.5444 169615.5703 135184.4156 131201.9373 145201.6990 77272.8181 130634.6800 81077.0745 83801.2107 177296.2861 165646.2550 197625.7161 171495.9237 220661.1615 109280.5845 115350.8750 73058.2020 129486.9005 95970.3945 82241.2739 118989.0633 190318.4004 115456.1962 128162.8615 116863.2345 134130.0505 88841.7835 79474.4472 130209.6211 137164.5362 123420.7344 SM(d40:0-OH)_M+H2CO2_feature1 SM 40:0;O3 51163.1274 31437.2105 41934.0540 37288.5859 29395.8476 48705.4149 45140.9861 46159.8519 197.6475 232.9787 228.5476 209.0358 223.6358 262.7944 47221.9377 43919.6827 43934.5628 48689.6344 51507.5947 51888.6221 54597.9796 60401.4129 66273.1869 53827.1152 59543.4734 60759.6605 59705.6765 47767.5965 45501.0814 57120.3085 33859.2317 51498.9192 34499.1973 26405.6445 65195.5046 52727.6439 58911.6637 57542.9824 68391.4602 42462.3260 44512.2907 31870.4362 49644.5659 30083.6481 31085.2233 38731.2075 56394.3766 43681.2069 52263.6775 50060.1942 48272.0867 42776.8026 31786.4603 41872.7606 50235.5255 46995.8604 SM(d40:1)_M+H2CO2_feature2 SM 40:1;O2 441030.2254 304144.9183 410373.7785 320903.7882 287116.2753 518097.5276 375517.0991 388579.0650 158.8237 171.9038 205.8655 165.8182 212.9032 205.1101 414331.5081 390905.5312 385993.3124 427715.4238 440922.1091 466445.1955 459446.1165 449444.0283 584244.5509 454236.9596 514260.9776 576392.3117 559428.9170 426460.3450 414261.3844 535685.3344 277151.3477 432623.5381 286076.4533 254264.7269 530878.3845 509360.0946 569170.6741 564797.4406 760909.0323 379273.7315 406671.2633 301765.0206 443070.6935 323797.5353 286053.7694 430355.1348 551375.3305 423176.1227 441862.6719 406329.9589 482514.2304 363570.2656 297006.0904 428138.4033 452874.6047 383531.3226 SM(d40:2)_M+H2CO2_feature1 SM 40:2;O2 41761.7492 27369.2313 42169.4853 14709.7588 17487.7250 38119.6511 16880.8153 31675.1805 224.0423 752.5223 962.1389 248.6985 256.8944 249.3016 24030.5931 23627.9144 26685.3336 27215.4663 42208.0051 42564.5088 43210.7569 29773.1323 35856.5245 21946.5182 31677.4359 49270.0431 53437.1496 28234.8730 29456.9458 49898.1871 25640.5155 25951.2216 26667.6995 26952.2708 52645.7118 29933.5905 56523.5858 50612.6527 42160.4571 34560.2554 33849.3191 18304.5958 49392.8909 30028.4539 25579.7884 23478.0104 49772.5007 36655.3379 33157.6247 22741.0601 28625.4478 20366.5517 24615.3905 26303.9321 46057.7862 21657.6160 SM(d40:2)_M+H2CO2_feature2 SM 40:2;O2 21241.4227 14016.0988 17668.9330 17727.0062 18563.0748 26186.3404 17807.7270 23219.7688 214.8590 245.6730 232.5811 221.3543 219.0071 225.2958 18670.8529 17927.7578 18493.5841 19639.4233 22325.7518 23626.0195 21881.2479 30155.7266 31065.3484 26310.2481 30056.5960 24305.5201 25894.6718 21887.0588 20517.6506 33415.9263 11184.6985 21366.3889 18359.5581 15572.4192 22778.4896 21235.1600 28476.6965 25788.0977 40063.0805 16445.2101 19090.1185 17832.1489 10036.5024 11017.6467 11545.7819 14456.1165 27507.2733 17384.5348 18334.3875 22022.2330 25861.5083 16867.1807 15184.1411 14698.7451 20029.9097 21776.7262 SM(d42:2)_M+H2CO2_feature2 SM 42:2;O2 843500.2489 563305.6277 1417607.5670 629103.3844 639364.8921 1032985.0820 745710.4501 567162.8653 171.3590 228.0834 156.7598 171.5864 217.7830 199.2008 759825.2166 612720.4665 710610.0497 816585.2169 867189.5277 883737.7020 914976.7390 670943.3445 1123301.4340 678393.1364 760751.8023 990685.2153 980872.6578 771849.0446 846252.1957 1001325.9360 514916.9476 767770.0943 425456.2801 390173.7560 1010602.5370 888455.9371 1062560.5800 1061857.8220 1442536.6030 665988.2878 556552.8637 400441.4741 747578.6112 564307.3580 500441.8774 752797.9573 1076117.2080 763909.5779 727851.0738 793432.2042 817199.0944 667298.1158 668702.8777 649308.3588 807923.7276 683093.1160 SM(d42:3)_M+H2CO2_feature1 SM 42:3;O2 87472.1062 57706.4768 316039.7090 69619.3150 96149.0456 120623.8309 75769.6896 72862.9830 253.8452 250.6291 260.6614 266.4997 282.1178 288.2433 80679.8139 84109.3314 87931.4147 92090.0610 97873.8906 102678.1024 105162.4272 98373.4592 122183.2005 93327.9622 116145.0011 96685.3519 101225.8196 91751.3902 100881.5400 111398.7150 48742.0471 88893.3816 66546.8586 64924.2911 99667.6604 97689.4338 111459.6023 119864.7195 144478.9023 72341.8350 73076.8390 51380.0781 73151.4206 57088.1621 48592.0497 76149.0859 122584.8822 67922.7121 73834.2308 86290.1852 111051.1113 68236.3995 73723.7788 84742.4435 91492.2947 100471.7265 SM(d43:1)_M+H2CO2_feature2 SM 43:1;O2 51557.3248 17866.2664 26777.9766 36570.7739 27823.4141 61346.4449 49220.8664 64505.9901 266.0283 251.7682 260.4939 289.1788 305.8882 287.7996 53952.4490 40594.0288 49368.4451 68681.1084 64190.5966 84838.1190 81067.2397 107319.8998 122143.8695 78800.9108 85682.3106 86727.6873 53655.0398 60352.1907 44073.7106 78936.2899 55108.5577 50827.2390 32287.9227 35869.8875 87170.3936 64951.2693 66560.6239 100656.8859 102576.4228 51137.2461 61237.0725 40440.6687 100524.0873 48038.9063 22256.1342 56643.7410 62022.8263 45524.8402 48938.7070 44894.7792 62054.0740 41849.0047 33382.4439 35122.5512 41130.0448 48252.6026 Sulfatide(d42:1-OH)_feature1 SHexCer 42:1;O3 17422.8203 9073.1152 7195.3138 15984.0788 24509.8046 22990.1041 14634.9596 12782.7092 119.4714 119.0409 109.2928 120.5857 123.1032 127.2401 18787.2221 17736.5545 18526.8017 17365.0838 20335.5579 20472.9127 19369.9154 19221.8777 22155.2715 22762.1120 24016.6215 21638.6875 22497.5229 31881.3405 18749.0342 22444.6293 13225.8756 23206.8485 12072.3832 23379.8164 18906.2369 19768.5669 35623.8501 33955.4495 42329.9537 18072.1550 23068.3415 11005.9090 14353.4305 11857.0024 14558.3357 14216.5764 37540.2194 17861.3185 12712.9275 15810.3045 20230.3562 12679.0697 12378.0525 18789.4722 16299.1695 20292.3775