Metabolite_name RefMet_name 90245013106 90248013106 90252013106 90265013106 90266013106 90217013106 90229013106 90232013106 90237013106 90239013106 SampleBlank01 SampleBlank02 SampleBlank03 SampleBlank04 SampleBlank05 SampleBlank06 QC01 QC02 QC03 QC04 QC05 QC06 QC07 QC08 QC09 IPE_Reference_Plasma IPE_Reference_Plasma02 SED_Reference_Plasma SED_Reference_Plasma02 90559013106 90560013106 90564013106 90567013106 90571013106 90421013106 90422013106 90423013106 90426013106 90430013106 90576013106 90578013106 90581013106 90585013106 90587013106 90439013106 90441013106 90444013106 90449013106 90450013106 90406013106 90410013106 90412013106 90416013106 90420013106 90280013106 90281013106 90283013106 90289013106 90292013106 90251013106 90254013106 90258013106 90259013106 90267013106 90218013106 90222013106 90223013106 90225013106 90227013106 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: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-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: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: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:Female 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 Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Cer(d34:1)_M+H2CO2_feature1 Cer 34:1;O2 71620.2640 98294.3594 90970.0744 81359.1310 80463.5124 165484.3650 147398.9746 132374.8332 136295.5266 130136.5390 156.8559 157.6675 156.9757 158.7733 166.5456 151.3201 107463.8909 107172.9625 111196.6809 108288.1703 110983.3017 114635.6434 106325.6904 103407.5153 111175.5434 126071.4765 136223.2477 84114.5442 94804.2313 63038.2299 67526.1708 73310.0998 61326.8275 65830.3835 122406.6503 147430.8470 177444.6954 116350.0672 181123.5400 88141.9868 83003.8444 78332.4983 67574.8439 82322.0603 187158.0895 123427.7879 174571.7811 150141.8971 145715.7797 90744.9593 79856.3001 47616.7451 70326.4657 70917.2843 133059.3922 127856.0068 159215.2731 152188.1401 144244.2591 49886.7160 57127.8073 55680.4736 71772.4434 76400.6588 144929.5175 173103.6564 148695.4423 131391.2606 117436.6954 Cer(d36:1)_M+H2CO2_feature1 Cer 36:1;O2 45922.5480 95837.2885 69017.8518 40163.7801 49458.0548 19545.7823 16206.8522 11563.2499 13309.1464 13944.8067 193.5375 162.7470 187.0337 183.7622 159.3409 160.3472 28296.1314 30308.2447 30756.6584 30350.5759 31527.0360 29747.0928 28672.5838 31058.0347 29072.0006 9991.3523 10720.1923 7002.7876 7937.9848 36890.8547 48098.7442 49755.8143 34030.1739 41073.6866 9448.1647 12811.5906 15729.9881 10439.5308 18718.0703 79094.2383 55129.4802 65987.7076 44064.5561 55679.1738 20968.0656 10083.2790 24412.6627 13598.1365 15145.4041 77393.2536 53548.9835 24465.7600 40843.5869 44565.8958 10193.2275 10119.0894 14030.9974 14551.0674 12491.3605 38825.4682 33599.6432 24565.3694 38537.6939 42332.4594 13903.0136 13769.9731 17610.6730 11367.1854 8903.3192 Cer(d40:1)_M+H2CO2_feature1 Cer 40:1;O2 247663.7471 368144.1804 417374.4127 272199.9312 321797.7415 167104.0337 150848.4570 119601.7655 136522.3400 119335.4296 153.2469 133.2875 142.8364 158.3386 140.0928 140.0762 204833.1930 207827.5709 200586.6645 197809.5069 195388.3135 208687.1317 203564.3387 206210.0217 201836.0528 106400.5553 112467.8145 81100.9067 87193.3633 189439.2488 231232.3605 254366.4008 206420.0996 249592.9033 106843.2802 124224.8299 165654.2040 121259.1051 178821.6222 310663.0932 313211.4383 290645.2940 230484.7306 285645.4455 172082.9445 123527.1558 190267.4138 143593.7335 142464.1922 382610.8068 301866.2761 165781.1515 250202.5106 289358.2849 123910.1926 118787.4260 128545.9508 140661.4772 150952.7309 252789.5004 228497.1621 215242.5204 268761.1506 318448.4015 136176.5735 187319.4221 157354.3355 131968.5722 116077.0391 Cer(d41:1)_M+H2CO2_feature1 Cer 41:1;O2 211596.2560 319205.7150 330227.4401 214815.6680 243798.9644 131476.5695 130010.4001 117717.4823 130082.2250 110435.0870 176.9531 152.9273 163.7658 162.5665 148.5757 145.3472 186346.5019 182817.8447 171448.1023 180343.7942 174095.8902 184418.8493 187190.4085 179499.3411 178743.5215 86869.5442 91101.3569 73460.7027 75902.3685 175000.4739 182625.2466 235055.2052 203641.1553 207571.3188 96944.9488 120957.3333 147722.7952 111550.5662 135653.1671 235439.1301 261832.2961 274196.1947 209640.3354 242463.0272 137753.8453 105230.1679 160714.1947 119782.1643 122467.6555 324598.8475 277055.1657 145333.4707 210057.3464 239809.3278 122586.7339 114022.9180 105926.5363 128855.2027 132882.4884 255265.0685 206760.0086 201362.4725 260063.0781 290301.4584 138083.0863 191554.5256 132870.6193 136678.2406 119497.9992 Cer(d42:0-OH)_M+H2CO2_feature1 Cer 42:0;O3 64941.1963 93572.9149 114404.8039 107392.4255 83515.5881 55529.4646 59428.5454 45148.8046 55957.1151 52622.2728 184.4762 149.4297 171.0191 179.8865 164.5420 161.1005 71086.6411 68933.4118 70810.6283 70705.6866 67687.6645 71256.3307 71394.8402 67679.9763 71559.4986 53556.8860 52244.0127 51731.5397 61301.0950 66286.8401 70723.8790 59961.6607 66294.2649 67581.3316 53180.8516 51646.7492 78355.7406 57499.7880 77799.7320 63796.7386 95577.2425 67414.3490 57064.9799 80385.0510 60311.6282 57172.1570 78238.6931 66277.6563 54086.4208 111324.4444 84832.0871 55211.0201 76160.7729 98265.0224 59789.2414 60289.2770 60222.6673 65201.7873 68315.5452 74127.6104 63742.6062 94229.9850 107214.3196 99475.4900 54795.6765 73961.8241 55783.5311 59246.8683 60553.4260 Cer(d42:1)_feature1 Cer 42:1;O2 1169755.2500 1531401.3640 1773817.0890 1239251.5460 1397366.3700 886679.6855 942589.5062 808631.7057 849976.1374 714962.2485 483.7647 481.7916 495.3422 584.2964 557.3385 567.0511 1110635.0050 1093514.0280 1120975.9060 1110349.9600 1082933.5030 1074095.5940 1107451.8100 1142330.2570 1091021.8040 644706.7333 636345.8344 532270.4288 574815.9270 1023684.3140 1120764.5290 1291827.8860 1080354.7870 1310263.0480 754946.9023 824949.0165 995522.1464 807590.6319 1049450.3710 1322055.7460 1410427.5640 1350951.9690 1227933.3080 1339665.0710 983905.8392 771975.7420 1042425.5180 845545.4016 847915.7788 1700128.9690 1347964.1900 879808.0808 1213146.9380 1317425.8260 803236.1985 814033.3056 767469.8219 862576.3366 936218.5197 1406042.3760 1248092.9980 1207589.4550 1399868.8800 1475912.1550 947346.9118 1194982.9070 988468.7331 885388.6856 845933.9968 Cer(d42:2)_feature1 Cer 42:2;O2 560700.9909 746850.8590 1079670.1360 530153.3391 655603.1049 459478.1092 413402.6099 294184.6440 351124.7525 284728.5678 297.9753 283.2900 289.8011 320.3331 282.5411 301.1764 448345.2941 446248.6968 446271.5244 430526.4043 447762.1046 444331.3664 451125.4897 431636.5729 453899.0866 224505.3975 246946.7561 165796.4623 193888.8634 435923.5120 458594.4491 633461.8838 478499.1556 560072.5686 271958.1703 287010.4130 446151.0245 269248.5931 433755.9333 713284.3946 767283.9479 765252.7356 540155.9675 627380.7029 479918.8945 334188.1720 500310.8523 310140.8772 358660.7980 846275.6151 640940.1958 323853.9100 485061.2083 591188.6002 283917.5527 259225.4160 349707.9717 336259.4331 357117.3278 531004.8337 479310.6168 444583.0937 527004.5391 622312.9130 351582.6657 526594.6237 353036.5781 300954.5958 266042.8005 Cer(d43:1)_M+H2CO2_feature1 Cer 43:1;O2 21850.2967 52093.6974 60347.9072 31869.3513 45713.0775 1485.7108 27171.0148 22790.7844 23799.7972 16847.3814 153.1131 158.8405 163.5285 229.4284 204.0789 191.5286 31777.7932 31408.8349 22789.8232 32725.7486 33418.3859 25052.7341 23613.4762 26223.7914 39359.0423 785.2051 1362.7648 14555.0404 1642.2186 20070.8820 21327.2037 26015.8605 21964.6308 40333.0550 22155.2472 2012.1995 25287.5462 28650.9883 285.5672 24469.2980 35352.0629 46467.5267 32650.6791 48301.6787 1284.6600 166.2414 877.4328 24573.9387 471.2012 53574.0301 42650.8317 26342.4769 25243.1388 46145.4662 25411.1935 21474.5487 625.6010 26158.9663 25292.8432 43115.3766 37910.5984 23441.2619 28395.9157 51304.7087 1421.6574 35431.2990 29127.2673 26681.5316 31092.9912 Cholesterol sulfate_feature1 Cholesterol sulfate 1536999.0180 2964836.2760 3461597.2030 2115263.8370 2734819.4780 1071769.4750 873654.1511 750061.4225 818003.2991 875115.7487 151.3401 152.2442 145.0062 311.1521 133.8670 121.7018 1417268.5350 1409098.6420 1495559.4330 1507098.5560 1403185.1970 1420329.0040 1524241.3180 1407036.5230 1422850.7450 1173032.6390 1236060.0060 585132.8022 640771.7316 1825310.3260 1929056.3360 1747469.8700 1729137.4640 1170719.5340 820190.3717 726852.9105 977707.7025 848447.2590 1359653.0190 1802241.3230 1975594.7130 1801842.2730 1119406.4340 1693408.1480 1325206.3310 777788.2494 1156433.6400 1140783.1920 677940.9815 1748997.8060 1758740.1820 1099164.1100 1757225.6760 2810911.4000 932796.2370 710360.9005 1177885.2920 916740.3806 856455.5635 2673497.4900 1220631.1930 2084512.4260 1318210.2970 1787371.7500 811748.7772 886692.4813 992599.9576 765573.8278 512929.2086 FA(14:1-OH)_feature2 FA 14:1;O* 55019.0090 68149.8082 68149.8134 50181.4722 52266.4715 32149.0563 26661.3372 27531.4397 25562.4385 30628.5421 1265.5451 1267.7760 1262.0503 1365.1424 1221.6684 1361.3659 38668.6629 40318.2657 36692.5071 39003.0053 37372.5053 36273.9106 39160.1518 43382.4296 35689.2586 33619.1127 30889.5905 12096.5518 12687.4469 39748.1278 47998.4475 42443.9227 41623.2938 29703.3547 30603.4906 20360.3250 22654.4097 32758.0702 33440.3413 42006.7959 52059.9229 43151.6060 32679.4451 33263.5432 40986.1620 27935.7454 30755.4915 40704.4598 17508.9905 33746.9345 53647.3746 31197.1444 56151.3482 59746.1671 33175.6019 24247.1708 34523.7591 33433.6430 18062.9023 64862.7823 43643.6868 52566.1586 33719.0766 48607.0782 35629.6183 28337.6779 31785.9306 33499.9217 21432.7250 FA(18:1-2OH)_feature1 2-Hydroxyoctadecenoic acid 68411.1034 25094.6065 94911.0528 26214.9151 55373.4329 31810.3923 67908.1081 29309.1193 32699.7146 35075.9066 643.1465 604.9481 724.3174 864.9614 817.9494 672.9276 39721.8594 39572.6958 40653.9690 40194.4283 40859.8145 39995.2294 40371.4034 39358.1888 40008.3553 28344.0981 29720.6145 37180.5099 35186.0617 25150.9471 33038.8098 91355.3558 55940.4329 52077.4783 38579.2345 33889.0404 32083.9814 35927.8168 29071.9023 54468.9603 38250.5651 55007.7740 40002.4009 60694.0026 35244.9952 27531.3235 42822.4614 39070.0944 27447.6983 31177.4080 33036.8869 17647.2874 25400.7673 27367.6810 35760.6576 29363.7292 33803.8098 36640.8414 39534.3713 71907.9020 49970.6626 40238.9129 27385.7335 33573.0225 34613.7094 35108.3090 35169.6041 33438.0768 33168.8879 FA(18:2-2OH)_feature1 2-Hydroxyoctadecadienoic acid 84436.7165 31889.3658 52899.9900 41604.6005 47130.2274 24352.0150 23322.5638 18749.4884 35150.4941 28042.2984 758.9449 732.5988 738.2508 1029.0421 984.9266 138.0317 38819.2708 38086.8765 39224.6157 38291.4683 38320.9471 39043.8249 38944.3622 38969.7289 37979.1391 49935.2379 51969.6012 63599.6980 65422.1829 29669.2513 38625.1035 69675.6211 73490.5713 49741.0364 28903.4515 19225.4928 32700.2436 38270.5723 24367.0880 37987.7927 45185.2388 61947.2837 28789.1045 53514.6206 16584.0649 31922.3983 25653.8754 35610.4196 19553.7036 67980.3049 35039.1452 23007.8493 39362.2488 27802.0335 37922.0885 33089.9197 27127.4297 34113.6435 34287.0725 46132.3826 27921.3786 42221.7830 39419.3720 41718.5330 17540.9751 22027.2496 17254.4853 31001.8164 45205.0494 FA(20:4)_feature1 Arachidonic acid 458921.4381 631437.3061 760904.6038 487254.4460 730133.9344 510435.6462 432312.6032 548212.4033 449030.4211 599140.7512 92.3134 98.4461 81.7010 158.9012 163.7640 97.1488 511056.4896 483131.4423 506968.3475 508867.0916 576190.4469 509484.7698 498513.7985 516107.0371 485969.5146 741077.2745 768368.5037 352296.9111 411114.7657 398537.0511 551740.2854 530090.3878 507189.3316 386906.9809 608553.0148 534602.1429 594941.8814 726840.3483 831562.2565 451930.1010 491039.4597 415529.2668 326265.4172 354308.9581 834096.3769 594037.7664 786853.3821 749478.4714 435391.9892 328783.6118 537136.1747 264374.4930 495494.0141 691433.0607 627451.6289 339857.1560 907073.6049 607348.8671 388417.9484 592186.5607 403582.0344 517356.8484 306394.8723 432683.2614 373107.8730 349620.9330 596385.5206 434036.9276 320692.0796 FA(20:5)_feature1 Eicosapentaenoic acid 20796.5779 37086.8458 44599.7084 26446.9305 36765.6669 21177.4934 16571.6845 23848.6128 21847.3838 24932.0638 91.0911 81.0435 88.0258 87.5626 82.4929 80.1742 24569.4271 24194.2344 25042.6027 25040.0934 24928.8017 25218.1852 23614.9499 24944.9719 24714.9815 32063.7388 30437.6163 11787.8137 14760.6316 13507.2349 24173.7789 20442.6174 18012.2606 12282.8923 25575.0150 19486.1471 25228.3791 32482.8143 34340.0375 17205.4067 18458.4753 11355.1278 10368.5364 14061.4023 28988.5560 22481.2226 28129.1810 31304.8877 12418.8241 15698.2434 26845.3590 15105.1376 31485.0817 44069.8999 48052.2346 30693.3088 52447.8468 36717.5433 19584.9224 46238.6679 18562.5920 37628.7951 16161.7876 24377.6427 16098.7962 21113.4991 28361.0850 20337.5925 19709.6604 FA(22:6)_feature1 DHA 220477.5061 362726.3136 411500.3838 305834.3518 432415.8059 226299.0618 198864.9072 287817.5999 269407.8053 296211.1563 82.2920 71.9361 71.7737 74.7941 69.1921 68.6413 294650.2589 294774.1558 286683.6732 305535.9941 292890.4937 290823.2697 288739.2599 295326.8974 297799.3858 295009.6774 314614.2298 162017.0503 182028.5146 216583.5462 319960.1085 222190.5262 235877.6603 164125.3376 368615.8573 248311.7589 370973.0212 443756.2554 458566.0300 209655.9792 277932.4197 194507.5890 166827.9041 182038.2106 404348.7326 351347.3536 410813.0835 451812.0972 197799.4512 211232.7480 335561.7908 203443.9248 357304.0784 515095.4507 492982.2801 302651.6365 634081.4953 463576.7431 264166.9711 453959.6500 225317.6011 422732.2383 196557.9242 290056.1618 206118.8158 231323.1942 322545.4893 235340.3987 184727.9261 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z_d7)/0:0)_ and_PC(0:0/18:1(9z_d7))_[iSTD] M+ H2CO2 355524.2036 346163.0754 345881.8642 351239.1277 339831.1958 342512.3646 353394.2485 341836.2139 347423.7936 364444.5219 201.2104 189.6629 191.9648 202.2652 199.6311 162.6589 330230.8518 334548.4357 337493.5976 328703.3166 335637.0656 344341.6196 322843.4650 326618.6835 340808.5960 369590.2294 335327.9534 367862.8730 368667.9625 346307.7599 344549.5421 330635.1883 338886.0150 353494.8457 343016.5281 352815.5789 342739.1956 335191.0523 329737.3233 352383.6647 336440.9856 341407.3025 356428.7147 344036.7535 344622.6353 357995.3462 359591.6972 365878.9012 377679.7406 335250.4461 336524.4583 345477.7681 343994.8662 345153.6616 354895.1586 354617.1042 342060.2569 346474.2602 350477.7721 341544.6949 409938.4852 349617.5297 351618.6951 342814.8115 353096.2840 351853.5307 340889.6787 359844.2090 358185.1008 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z_d7))_[iSTD]_M+H2CO2 1731302.3790 1649453.8130 1598940.4380 1683561.4280 1645565.3020 1682385.4640 1764538.8050 1738646.1590 1807617.9500 1779482.0220 193.6098 181.3586 178.8577 182.5148 174.9229 187.1807 1673664.6160 1763460.0350 1730287.6810 1734198.4620 1724761.3930 1673447.2460 1741465.1950 1681497.1440 1752013.5960 1676989.7530 1693919.9200 1744730.3100 1867838.7990 1662539.8140 1730644.3800 1686964.4900 1623411.0390 1757452.6970 1778876.8790 1811204.7170 1740475.2380 1697229.1430 1704758.3980 1667966.9300 1700810.7640 1704204.2930 1900208.0210 1677702.8790 1720890.4000 1782707.5770 1725640.4810 1726050.0420 1742314.6560 1699763.9240 1898128.6050 1807129.6700 1686613.9460 1645902.0780 1891345.6480 1739429.6200 1847371.9790 1746661.6470 1745545.5360 1650978.6460 1764563.2890 1574684.3880 1695075.5510 1655379.2510 1819139.5850 1777821.3820 1710527.5540 1732392.2250 1756905.2280 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z_d7)/0:0)_and_PE(0:0/18:1(9z_d7))_[iSTD] 178120.0950 167986.9436 174513.3957 173349.7633 168694.4663 177738.1411 180073.3139 174133.4869 182739.1997 171286.3557 97.6441 91.7306 98.3743 98.6282 92.0842 86.3422 175347.6691 175244.8112 167950.4398 174157.5116 164192.1796 172078.2117 172915.1306 170213.7529 177850.2385 164707.5178 169547.2331 172933.2363 182917.8134 163014.8668 172940.1748 166818.5827 187324.6105 183191.0695 173450.6585 171265.7167 175409.5156 174363.7676 173968.2991 167541.7340 172951.2059 170747.6882 180512.0078 173910.5973 173908.8376 172875.6293 184849.5860 173418.7285 176682.4158 168343.4764 158959.7792 171264.1107 171906.6464 178698.5512 169642.1694 190425.7531 169356.9300 170140.5681 176404.4791 166106.8065 176603.6562 169970.9321 173196.3104 168233.6370 169731.3869 185554.5260 173219.5776 174044.7240 170407.9051 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z_d7))_[iSTD] 158037.8135 146493.1086 143286.7828 152814.9063 150963.4215 163797.9149 161732.4075 166424.2685 162634.9721 164768.4573 160.1871 167.1934 162.1970 159.0442 151.6010 155.7336 153130.8574 159957.5046 158111.2767 152218.8325 150017.9260 155706.0820 155197.2405 152105.8548 160592.1356 145789.3511 157182.8637 160467.1088 174116.5752 152204.4335 155204.1071 151306.0991 149432.5380 156291.1536 165181.2707 163566.6961 159132.5281 159153.4525 152638.4164 144810.8665 148874.7498 153366.6125 163179.4345 148785.6157 159875.9693 164757.3482 157847.1473 160376.6921 161632.0082 151954.6467 153696.4699 170627.8743 160368.0790 157753.9220 166277.9429 158127.8395 168720.8363 163705.9776 160750.0646 158656.5918 155255.1305 154806.7717 151280.5764 147033.2213 164855.2140 164878.4463 162835.8675 165246.1825 169266.3654 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z_d7))_[iSTD] 625371.8240 650607.2270 691216.3545 635843.6161 647134.3390 647941.8547 738281.3138 676211.8272 662071.4056 681667.2311 152.2667 141.7309 151.6770 156.3862 155.7472 146.3110 631750.9602 641297.0129 660035.3937 630004.3222 652647.7987 623612.5610 644676.1878 632931.3866 649160.2741 590976.6140 609420.5795 629090.6362 684954.3723 650375.1713 680439.1054 637543.0681 633355.8450 651681.4229 684061.1221 648009.1416 636820.3959 625585.6998 671428.7831 637399.2231 634083.5592 651919.4133 686256.6012 668310.4488 636857.0795 657477.9674 668641.2186 647634.5283 681263.1033 642260.0519 642681.6202 668309.9285 664845.8487 668311.9443 666902.7354 628077.6261 662955.1241 651757.0845 634937.4476 639319.3264 663546.2899 644718.0318 633249.3987 639195.7655 667547.0544 698083.3342 649197.6822 666422.9388 655586.3883 GTInternalStandard_PI(33:1(d7))>PI(15:0/18:1(9z_d7))_[iSTD] 281206.0520 116714.0985 275844.0522 302103.4227 235662.0187 292529.9542 296097.5102 285877.3621 280943.3201 289309.6262 138.7011 136.8252 139.1333 133.0487 129.2111 125.1979 301086.2319 292478.9990 305515.3856 284198.3387 306449.2747 293033.7123 274208.1642 295979.1766 315554.8462 269179.4480 274682.2281 267153.8251 305034.7988 305824.7059 316276.2775 186550.0769 297033.1280 315743.1219 299713.3409 311256.4713 295964.4306 277122.9410 270234.9266 283421.4891 292938.3372 286703.3269 301394.7195 272651.1998 297206.5386 304050.5659 274198.5301 286117.9826 218452.4006 283177.3085 303419.6174 314429.0860 279700.8330 295803.5897 302030.2243 296490.1306 284868.3068 281892.2201 287657.6796 283123.5574 299300.9258 282273.3839 294025.6856 279115.4763 293822.2205 300196.3177 283002.0690 293516.9323 307593.3815 GTInternalStandard_PS(33:1(d7))>PS(15:0/18:1(9z_d7))_[iSTD] 85008.3972 85465.1902 82826.0815 89171.4662 83450.9975 89643.7158 85213.8929 89974.3112 90109.0341 88215.1380 171.7509 155.5335 183.8160 170.1331 150.5387 143.3125 85924.5413 88259.7451 90412.6862 86436.3376 88371.7006 83845.8602 91204.3344 85336.5492 88466.4309 82122.5372 85581.3942 89867.9434 94721.7242 90615.7922 89301.4045 88309.8512 86774.5229 94324.8846 90975.8697 88129.6712 83901.7672 88020.0838 74619.2940 86570.2702 83954.9223 84829.1542 98468.1000 89305.6171 83103.0945 90786.3647 83524.5097 87020.0820 85908.0224 84317.6703 82064.0770 96954.5931 87521.4479 89147.3947 92607.1529 87298.1841 91048.0292 85896.9083 86510.3941 89866.3981 92655.7602 88297.8217 86696.1614 92707.0942 91532.7574 90067.7312 85982.6859 89386.6511 94136.6121 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z_d9))_[iSTD]_M+H2CO2 326977.7223 299846.8003 277721.8134 299260.0637 309995.7041 328398.7661 327786.9719 334329.7734 337180.0679 315684.4572 143.4661 133.4761 142.7754 141.9098 134.2737 127.6245 332564.0776 310626.4119 327466.9204 291846.7919 330535.3598 320155.9237 323392.2345 322203.9235 317297.0553 317662.1633 299289.9977 336965.5840 340913.5768 330041.3924 331333.0837 293486.0971 327117.8913 341520.5244 310466.7014 343470.2870 313056.3085 330332.6775 337003.6918 317284.8878 323686.0229 301405.5799 343103.6084 328218.8289 292743.5030 336064.8367 310268.1798 326560.2816 326250.2748 315107.8254 328442.7479 330947.4538 336491.1988 331687.0669 336476.6221 322162.0250 338546.0045 324965.5383 329790.2834 320972.3883 343977.1589 310279.9880 319144.2717 297435.3563 329410.8462 339576.0531 325480.4094 311683.9902 346235.5455 HexCer(d40:1)_M+H2CO2_feature2 HexCer 40:1;O2 126325.6759 157120.6168 210072.3416 130387.8870 170366.5154 22033.2520 28228.1556 18534.3998 25724.1911 18408.8508 133.2027 122.0536 130.0112 128.1011 121.2522 134.8985 81265.1369 84908.9720 85348.3450 56742.8260 57842.1275 78854.5313 80493.8496 79345.9867 83377.1826 14491.3018 15484.8594 13455.2165 13698.7735 114905.0002 105635.5560 124624.7745 104730.3469 131254.5269 14785.2546 18178.9705 25757.9460 25672.5189 27456.6765 206489.6833 134167.4688 131099.9948 115481.1614 136144.3145 22555.5001 18281.5159 36500.6106 25455.5755 21192.0178 185673.1575 147290.6043 75920.8736 129229.2055 141948.2776 26941.0251 16855.6957 22320.7730 21562.5733 29816.5480 122352.1492 112900.7569 118182.7477 154971.7092 138596.3748 18834.1812 27449.6595 30465.2149 19390.6407 19186.6608 HexCer(d41:1)_M+H2CO2_feature1 HexCer 41:1;O2 90584.4614 119703.9144 168345.9137 90093.8492 93930.9878 14801.6212 20504.1858 13612.0307 20360.8266 19961.8782 153.0547 133.1152 137.7412 148.3218 131.7849 133.7914 57236.9718 63825.4151 61324.6988 59146.0318 63763.8736 60125.9162 60431.2548 59749.4226 60725.5787 10028.7874 11289.7411 10907.6959 9110.7967 94538.9620 79687.9107 104053.0443 94355.1865 104095.1520 14088.3068 13395.4984 25619.8176 19483.8511 21244.6502 133068.5499 109098.5438 100067.4188 88222.4379 111423.2065 16882.9914 13278.3620 26998.4551 17973.5315 16782.4543 147431.9755 115089.0062 68170.2027 100691.2074 114307.8236 22088.6782 17551.1185 16757.1264 16334.7228 22042.4507 92445.1122 96076.6995 106521.6782 212950.3760 105098.6673 15281.6781 30580.8854 20455.7097 19824.4218 16005.7236 HexCer(d42:0-OH)_M+H2CO2_feature2 HexCer 42:0;O3 32357.3659 43887.1952 47690.9477 43498.8234 40447.1214 15680.3303 21850.6487 15027.3903 20925.3062 24307.4797 156.4934 136.1706 142.6628 173.4469 138.4728 147.5193 31009.5369 33792.3259 29280.5829 29714.9595 30058.5707 32384.5978 30055.0253 29633.9346 33476.2800 15884.9377 18700.6760 15280.6971 15996.4727 40810.8275 37224.1703 38210.3894 39519.1444 38652.4722 16011.0837 17211.6779 23908.4889 21994.3167 21701.1179 44761.6527 44500.5043 37718.5261 32286.3536 43030.2233 20524.4187 19455.1992 24919.4327 21600.6887 21622.9738 50180.3168 41245.5191 32004.6303 44998.4698 50925.2348 18518.3571 18708.0272 20525.5376 16327.3455 20107.4227 41235.7184 42324.9484 46446.3630 50997.4666 49224.5766 17474.1380 24447.5173 19578.6957 19691.2222 19403.5148 HexCer(d42:2)_M+H2CO2_feature3 HexCer 42:2;O2 83056.6716 119032.5715 124802.4813 76981.3720 99294.8307 13227.8728 29561.0026 12497.9479 19178.7834 15265.4264 164.0201 152.9351 159.2419 165.4633 133.9566 140.6551 51395.3311 49006.5775 76719.3473 46148.6117 46194.4149 42784.6919 66652.8132 65208.2259 44304.6862 13194.7409 11606.9158 11721.6230 10433.8080 67429.7544 64206.8264 69461.7600 60423.3969 116654.2066 18152.0450 12226.7355 34548.6016 15431.3234 19608.9732 126809.3751 112123.2323 77963.8916 69447.1375 72796.2326 15282.4500 14960.7694 34487.9546 18121.2042 13431.5795 111688.6882 85838.0463 55895.3260 69727.2747 56250.0368 19647.5268 16073.4372 15748.1641 14078.5270 27371.2609 97231.5726 50430.8262 78960.7301 139445.9782 101003.9574 9640.6556 24592.1830 20073.1192 18182.1522 12362.6809 LPC(14:0)_feature1and2 LPC 14:0 61060.9518 46736.9366 72746.5719 73960.6704 62724.9368 52043.9415 54842.7960 57101.1442 66827.9158 53883.3351 138.8583 140.4035 150.4603 157.0272 139.0938 137.0234 64427.6252 62512.9330 63142.1070 62890.8505 59851.7683 62243.0567 63021.2605 64281.2718 63512.7280 56506.5530 61189.9239 62930.2082 67408.7507 40407.8224 40355.3245 46632.5416 46488.6834 46376.3112 57718.9267 42942.2799 52686.7599 60115.2005 60730.0036 54971.3463 42327.5838 34104.4440 38490.1615 45065.1718 47427.0036 45784.5327 53462.8499 60172.9311 50221.5060 61702.6115 57454.3102 47950.5165 57803.9419 56454.4215 67547.9818 88469.8017 42829.0378 61937.4192 63685.5899 60316.8205 51244.5200 98316.3961 88089.2262 79238.5223 61186.7077 85223.3756 78831.5249 104043.2592 106478.2000 LPC(16:0)_feature2 LPC 16:0 8296088.8340 8260697.5930 8169174.3830 8171315.3660 7900380.2320 8107155.7040 9321134.9920 8491659.3350 9008649.2040 7996296.1110 219.9125 459.9254 334.3547 4155.7025 297.5722 437.1642 8167494.8760 8405111.3840 8515866.3770 8120920.8760 8099315.4740 8167707.8200 7911110.3640 8241109.2110 8687424.4140 8870383.6970 9184284.9500 9815833.7740 9438171.0690 7119244.1740 6916945.0220 7043922.4580 7123091.1620 7212742.5340 8428573.3380 7916054.2190 8097454.1850 8383970.2370 8483756.0480 7691806.5130 7469732.3120 7269668.1320 5919153.8930 7298087.8970 7889108.8300 8089910.2770 9464088.0090 8324733.3870 8800292.3950 9130308.9130 7205910.5570 7009174.4180 8369677.7790 7685526.0180 9278009.7200 9767981.9230 7768418.7110 8925899.8510 8975356.2450 7301604.7820 8042477.7490 9271159.8630 8604885.5950 8789425.8070 7974888.3140 9383509.0720 9049724.2710 10222449.7300 10153684.9600 LPC(16:0)_lp_a LPC 16:0 737765.2414 763333.3505 667876.1812 775593.0124 728379.1503 710559.2564 896223.6407 714137.7619 814834.1338 707476.3934 122.3400 118.5215 106.8055 3323.1243 101.6931 100.4151 694027.6176 840276.6321 521611.5178 776942.7779 783710.9190 690365.2297 677296.2208 811840.4347 658867.5160 816924.5049 857796.6069 827625.8195 885396.8834 679595.8878 684743.5247 588963.3518 590550.1340 682913.0323 898294.3791 815774.5802 709183.7513 787395.2688 679118.8378 716549.4770 635217.0995 684147.9374 695818.9839 604723.3960 686725.1848 498606.7876 969202.8032 853793.0251 769193.6563 698606.5541 712131.9232 814383.4683 799483.5011 686396.1566 823337.2995 1025520.8120 754528.4963 733746.7144 978728.1650 723216.0342 666167.7956 734946.9562 878950.5359 655950.8689 815722.0337 996945.7113 773523.8009 977347.1692 862497.0946 LPC(16:1)_feature2 LPC 16:1 193726.4742 166624.7774 250689.7627 233374.5734 199120.7765 156515.3448 180587.6333 156011.6688 204123.1843 155180.3202 168.0267 172.8805 184.1326 186.7749 183.6054 161.9229 185519.8328 182471.0942 176251.7016 180696.8354 199949.4309 179945.5141 176832.9095 188446.2718 180742.6614 150592.4928 150117.0987 173288.6580 176257.5497 127357.0704 135086.7838 157783.2982 141168.5716 130732.0386 167376.6885 115307.2846 170503.5257 171653.9480 180476.3994 165814.1423 145018.1743 122554.0772 110716.0156 137832.1212 119820.6412 141670.3956 186137.7639 176538.5117 152096.5293 179750.1091 202580.0723 166136.0189 164271.5883 201567.5302 207878.0853 241596.2323 130030.5874 186739.8035 225216.7093 249327.3255 140456.8095 322103.7906 225951.5020 216102.9360 153948.4053 389808.7106 251989.9325 351020.6810 382988.5221 LPC(17:0)_feature1and2 LPC 17:0 246493.0010 182170.1697 199012.9867 197965.4622 208475.7398 180715.6562 226028.2768 243771.3597 253281.6186 185688.5356 112.9250 100.1828 108.5717 95.5207 93.8394 85.4011 216493.2132 205896.8931 235210.0066 204960.8168 228395.6352 236350.1998 185071.8078 222480.9329 223739.0805 336371.2716 252460.7099 283098.2932 275757.7234 246234.9025 162256.7910 202687.0598 236071.7984 178009.7977 189461.0818 230315.0606 228370.2421 206437.1587 201265.9567 251863.0562 183037.2731 173065.9360 157971.3688 185926.9546 182448.8653 224264.2238 211305.9689 223138.2333 189269.2323 253958.5742 198812.6415 184798.4114 195125.2683 159655.3706 258695.9448 241916.2432 182348.0426 216966.9132 211365.2241 160990.5813 197023.9837 180243.1539 245216.3768 232738.8114 216060.4416 230391.7528 208577.8888 222743.1384 205403.6530 LPC(18:0)_feature2 LPC 18:0 9609511.0930 10108246.5700 9069881.3970 8981863.1450 8580184.6330 6206812.8500 7366590.2980 6650499.6390 7468106.2290 6884406.8410 139.7864 470.7966 119.2765 2753.3279 258.2059 404.0371 7906854.8210 8287902.8870 8115163.7320 8470045.7220 8133534.2400 8234010.1530 8288831.8030 7893948.2490 8165616.2100 7938961.2900 8216057.6040 7547347.5420 8170897.7820 9415332.7360 8653736.4890 8066762.6490 8673618.8580 8745405.9500 7124697.0160 6887804.7110 7134389.0920 7382173.1070 7127401.4520 10112783.6900 10010206.5500 9174357.8330 7852854.2380 9337997.5190 6915926.5250 6181043.6430 9192699.0510 6668849.7230 7522938.6230 9890744.4140 8218634.4280 7511876.9080 9249200.3470 8299273.2330 7359569.1730 7282772.7580 6496579.5200 6972107.5410 7267364.0800 7321788.9150 9408395.6980 8263324.3410 9590893.1170 10447635.9600 6814722.1720 6969823.3720 6791553.8860 7235989.8630 6836795.2080 LPC(18:1/0:0)_and_LPC(0:0/18:1)_M+H2CO2_feature1and2 LPC 18:1 1954206.4850 1801250.9440 2173137.1290 2139929.4780 1810938.9040 1651455.5460 1876981.6140 1682295.5500 2024547.3220 1629107.2180 114.7878 108.2463 112.4181 118.6697 117.1683 98.2691 1782820.9310 1867639.9720 1732324.8920 1788285.8200 1816601.3620 1790875.1960 1761197.6840 1817146.7240 1812794.7410 1876589.2540 1829831.9120 1796565.4930 1817994.5870 1449235.5740 1467081.5750 1510921.3910 1575689.6530 1554041.8060 1648251.1150 1673402.0970 1750383.5180 1657386.7550 1910706.2380 1739005.0670 1676586.1590 1489480.6030 1303001.4260 1623382.6790 1570400.8380 1812707.9170 2106744.5020 1855576.8390 1924426.1380 2104652.4920 1879658.9660 1546358.6300 1900710.1370 1994772.1100 1739170.2460 2029553.2900 1519428.7340 1736106.3580 1826144.0220 1925867.1610 1689501.0280 2566166.5910 2313603.5730 2218099.8770 1779618.1800 2445185.2840 2105027.6580 2510246.5650 2356938.8260 LPC(18:2)_feature2 LPC 18:2 4163519.1950 3821898.4590 3708296.5890 5576539.1510 4137510.1250 3256110.6360 3784104.7540 3048781.8190 4144896.3100 3445802.7470 125.5070 127.9427 143.2100 122.8405 125.2467 128.9440 3868502.4200 3686659.1990 3613625.3000 3572596.0500 3711307.4550 3674838.8530 3788330.8910 3810449.0560 3640912.6590 4323521.2890 4053236.5680 4701771.5380 4320100.4060 4082390.6910 3499773.9740 2676374.6540 3751441.1530 3063436.9280 3654737.9590 3645140.3540 3954711.7230 4048471.4770 3974002.3150 3397292.7290 3995712.3740 2895473.0040 2918699.9960 4071375.1960 3291110.0590 4189612.8510 4121702.9520 4605085.8570 3550585.6420 4409988.7290 4662926.1640 3950874.9020 4252969.6930 4903739.6980 4494235.6970 5144616.7530 3166184.2820 3983370.2400 4196731.1490 4003838.5440 3198853.3530 5973767.9730 6192969.7750 5668585.9140 3896046.2720 4621464.1470 3984665.8320 6075346.8120 5145015.3010 LPC(20:1)_feature2 LPC 20:1 68953.2401 71507.4090 96299.7624 81889.5582 73102.7782 49120.5455 66558.7590 60007.2585 62887.8658 58276.1635 114.3782 97.6251 101.1076 100.1981 99.5645 87.9042 69979.2238 72370.0815 74141.9361 70108.8533 69927.4182 70881.2720 69183.5612 71493.6881 73520.8862 103361.2673 100777.1553 100332.3604 96410.0162 72996.9123 62347.3567 75004.0092 66030.6027 62799.8555 68979.3802 57751.8710 76402.9283 62960.9661 68082.9341 73274.5514 63231.6074 65252.2129 58152.6941 61280.9319 53817.1804 74966.8715 65529.2510 82332.4614 64602.4111 80787.2188 77005.2785 60756.3420 81504.9943 75849.6282 68778.1465 73093.0038 65022.4400 55529.9086 76260.6769 76850.5220 76504.9766 92955.8036 99780.8978 75718.8340 66446.1306 75493.7774 63715.8210 71021.8917 59865.4582 LPC(20:2)_feature2 LPC 20:2 37218.7642 26628.1154 36428.0268 36256.7127 31685.2442 33310.9354 43939.9379 41316.5512 42944.3014 40122.0167 100.5177 87.1244 93.4518 95.1958 84.5310 86.6526 33337.6316 33257.4567 33319.1528 34455.7695 33498.8881 32436.9048 31562.2859 33124.4272 35201.5977 67039.8022 66327.0940 67660.6365 70615.7819 22998.6067 20634.8943 20999.1698 27749.8344 23462.1207 36637.2794 32352.2991 33631.9865 37161.3462 39342.3941 28176.8923 29068.6202 18769.2227 18442.5763 23975.9497 31765.8810 35060.8131 41418.9095 41097.7078 42209.3585 35496.1993 33713.2816 24644.6493 32714.8912 37678.5272 36636.0041 52464.3973 31844.8515 38527.5739 44272.5659 28764.3937 29785.7794 41444.6326 44070.8511 40443.7181 33645.1110 47742.2735 43620.0874 53498.2491 49285.0131 LPC(20:3)_feature2 LPC 20:3 175167.9201 140874.1262 197993.6933 221685.0842 188501.1464 118387.5300 170415.8288 133853.4335 162112.0279 150332.5549 150.6815 146.0201 129.6619 152.6051 137.4475 133.4329 144704.2046 148910.0284 146839.5158 147889.4511 147012.2524 146761.4333 144051.4629 148446.7599 147189.9549 160612.6219 158902.0041 165153.6713 171198.2109 112594.9851 92266.1775 109706.0900 127088.3071 107703.3042 134873.0140 108443.2614 152748.5586 144038.0315 179269.9147 137566.9941 144932.0040 85437.3761 94953.9586 117645.5214 115686.3466 120239.9364 184551.8443 174439.6648 142973.6277 159411.4592 194310.1516 153065.1183 152580.2133 211619.7118 175814.8441 200076.8745 126367.5604 170703.3554 192372.1828 213367.1079 150386.2148 274980.4794 233065.5150 220017.6991 146819.4670 249783.9254 194691.6872 264740.2701 243850.8771 LPC(20:4)_feature2 LPC 20:4 4082001.6810 3351692.2870 4028750.9080 4266907.1600 4554725.5160 3527305.0190 4800703.0020 3638252.5950 3735753.7290 3708225.4600 122.8276 125.2651 138.0131 127.4217 138.8273 137.8803 3590444.3920 3631113.2050 3616166.4350 3630659.3260 3598787.2800 3629923.3020 3508965.5380 3728480.5650 3578527.9370 3936359.0770 4011240.3450 4088777.0930 4082364.2960 3474356.2650 3230348.0920 3207567.0020 4107593.9930 3390169.7680 4416714.1720 4019377.5540 4266318.4340 4300527.5940 4543619.2350 4026712.8170 3790565.5320 3791619.5680 3378241.0510 4228849.9890 4173504.4440 4024812.3460 5743951.2750 5029658.1930 4606007.8950 4681029.8720 4077673.2640 3189230.0390 3951162.5390 3846588.1000 4660816.7160 4132130.5660 4321858.6810 3922807.3390 4421810.4340 3395093.2990 3313520.7750 3625354.7180 4068119.0790 3739897.6150 3779821.5310 3985327.2650 3969508.8770 4152794.6490 3145710.7790 LPC(20:5)_feature1and2 LPC 20:5 46115.0677 32841.3803 58031.4318 67657.7719 59250.6758 18842.2361 19471.8058 16456.8904 24709.5820 22690.9320 151.6469 151.8663 167.6943 162.8935 148.7924 141.5844 34525.4429 34066.7743 34800.2260 33638.2774 33459.4997 34450.4408 33880.9199 34869.9152 34217.1572 21572.0827 20021.5112 21846.9723 21281.7588 20738.4491 20453.2972 23614.6351 28800.9840 25371.5648 20570.9132 15139.4280 24192.1423 24338.0643 22980.7192 28789.5349 24595.1738 16359.6977 17123.9336 25878.9854 14819.3254 17914.9464 23668.1326 24509.0944 16496.3079 35973.4667 47873.1868 35812.9285 45137.8860 63459.5921 49257.0851 63604.1353 18845.5967 28774.3507 32939.7171 69295.7511 37097.2635 93283.8852 64328.8028 67012.9756 17443.8936 47895.6786 23477.9738 42971.5567 44880.1615 LPC(22:0)_feature2 LPC 22:0 27402.1519 29462.1439 29735.4889 28182.1320 24425.7337 17261.2785 17478.6905 15325.3411 17994.1089 15585.5924 152.0370 157.6525 170.6348 134.9844 142.5392 146.1244 21399.6476 21408.2567 22342.6233 21875.6279 21468.5252 21500.3425 21149.4731 22436.6823 21368.9637 18660.8078 17238.7959 16497.1245 18191.4721 24003.2311 23940.8330 22577.9944 25074.8926 22456.6787 15480.5271 14523.1196 18769.6052 15013.2463 16851.2465 26103.9008 28289.5221 24270.5765 17985.4794 26668.5102 15621.0592 15436.5183 18290.5970 17353.6643 15524.6627 28014.4779 26120.0097 22026.4937 27478.8556 27476.5819 16325.9552 17459.4755 16016.6323 15397.0649 17312.4703 21932.4650 22491.7910 25162.0269 26879.6987 24236.8307 15712.0501 19631.6379 16593.9939 16865.3845 16288.8157 LPC(22:5)_feature2 LPC 22:5 88141.1580 75703.3574 102600.0201 105312.9192 98091.8035 78793.5958 92289.7480 82067.8195 77470.1032 91740.9651 117.3874 119.6541 113.4345 122.2483 110.3713 110.3673 67484.0911 68073.2164 62901.0826 64597.7600 65082.6998 64775.9405 66502.5647 65035.0951 68067.6157 67719.6741 68656.5464 65514.9336 66735.0384 60539.3061 62701.3464 55042.4421 69051.2444 60650.3565 72463.4312 67479.3893 81992.7837 67511.8211 86910.2771 72310.0998 78785.5404 54733.0374 49448.4916 57773.0123 66281.1614 67263.5949 102881.9158 87399.1703 65052.8831 119066.5876 89792.4601 76312.9487 79090.2154 95341.2918 89929.8663 108083.6091 76823.5218 76417.5997 93285.8831 75365.8917 69911.7134 112586.6966 108753.2752 105049.3824 59209.2301 82412.3202 87916.7472 94726.8398 95903.9497 LPC(22:6)_feature2 LPC 22:6 632626.1744 577854.7865 612808.7101 647184.3512 654422.9833 351018.1989 467809.6572 349590.6904 419932.8088 409249.5877 134.0396 134.0410 146.6043 146.2033 143.7875 133.5451 417381.6166 420511.5695 439219.0816 405894.4823 418894.8386 407576.0848 423844.3598 429450.1436 418994.2539 350254.0583 340898.9566 320668.2843 311387.2742 440563.4814 464961.1874 397231.3995 497226.2668 400219.3089 429451.6501 360977.6629 418810.1705 415324.6324 562022.3276 486901.5699 578298.7322 462338.9886 414594.5620 469428.6336 417754.4944 392670.2818 652330.9259 488097.3949 400072.2495 649360.6021 603853.7268 459038.9765 555363.7303 554742.7714 485167.3426 402413.4559 426166.4236 419194.3547 504043.3624 444127.4241 433909.0445 523117.7345 575343.0134 601707.8059 290998.8017 330990.4696 365722.7862 432027.2000 317985.9795 LPE(16:0)_feature1and2 LPE 16:0 245940.6774 240412.2947 268172.1610 246236.5403 246289.3192 198954.4306 242655.7738 182611.9425 208885.1627 172187.6360 101.6105 97.6236 98.2570 109.0638 107.7188 87.8304 221678.2262 229787.6679 230665.5212 229564.8856 224259.8612 238354.7261 228050.8076 226218.0481 222559.0720 122944.5560 130143.9591 157866.0006 162421.4565 214599.7776 212003.2792 209776.3857 225944.8253 246542.0739 188645.2587 187764.0867 208902.3251 188571.3818 218026.6612 248109.4745 230533.7776 233756.1134 179855.5042 219190.6063 201970.0766 179437.7709 253529.4356 196005.6655 223331.8188 315411.5433 231351.2606 196310.4071 250992.3815 225051.3977 199506.1366 230550.9887 180459.9079 194368.3033 236967.8373 209244.5443 232456.4105 249587.9035 246988.3410 254070.0433 189960.9105 230521.8380 220456.7059 261747.8215 261065.0236 LPE(18:0)_feature2 LPE 18:0 372061.7553 378577.0549 371812.9663 333483.9732 350365.7938 190581.0294 246364.0917 189426.7985 202029.8119 168400.8085 100.7590 83.4621 89.2014 83.6116 92.6024 81.8235 284239.9820 256718.1629 284214.6503 291654.8718 286576.0198 286167.3989 273897.2792 281304.0017 270179.0369 172074.7475 177708.5316 168418.6748 187245.8878 350275.3025 310211.2682 286519.8865 341803.6920 352429.2989 193354.5411 189889.4432 223566.6036 228351.3323 249257.8807 382571.7424 342089.3150 352673.8347 275682.0903 302525.9606 235160.4156 181926.1348 264111.7323 200641.9089 200089.9503 444464.0452 305479.8471 254751.3565 338721.3212 317870.6878 206191.7403 231548.3570 193990.8247 193675.0171 208383.2233 296090.8814 337025.7993 326660.8529 348091.9241 372073.7104 226072.8508 229581.4842 273313.1260 264927.4491 251739.0939 LPE(20:0)_feature2 LPE 20:0 377290.0304 395674.8436 358847.1028 336802.7403 334988.7199 247476.0774 275563.6919 263616.7624 291399.3605 259210.5427 107.8187 94.5009 95.8594 108.3457 99.5504 92.7885 300932.3911 327495.2868 309810.1693 321865.0142 319726.6900 322960.5734 317201.6862 304883.2774 313474.4232 303682.4086 301970.4425 291814.9737 315820.5467 365914.9134 335507.6755 309898.7597 331069.0329 327459.9038 266393.3184 257422.8935 271508.4144 287102.8314 270177.1832 397945.7694 346314.0415 354645.0005 294071.9563 366189.6428 266216.0844 242247.1248 329173.2424 263398.2526 284736.3437 379660.1943 316876.0039 282577.9107 367346.2568 330233.7473 283849.5828 276257.3838 250560.2837 266458.7282 273970.4560 271733.7296 359609.4965 318672.5955 360430.7577 342112.2969 263006.7708 282337.5921 267685.1003 279308.1345 268360.4307 LPE(20:4)_feature2 LPE 20:4 115756.9928 114073.6602 149451.5410 112294.7401 136878.1507 60572.3886 109463.9701 63183.2521 77048.4869 72944.0464 118.6281 120.9546 125.7086 126.3997 120.3064 115.0580 82317.1696 84338.0143 85551.5608 84647.2321 82581.8034 79950.8575 84057.0922 84912.4806 84184.2210 43211.7171 42299.8960 68262.3108 68847.6628 126492.9474 98281.6490 106108.7109 113958.5325 112188.5972 73172.6825 70771.2836 88276.6748 85061.4944 92000.5872 111341.4877 119070.3233 123888.9160 80425.2436 124667.3084 85203.3264 83483.0622 112447.2409 104959.7474 75869.5731 137137.9071 120049.5094 95398.5684 102965.8500 106646.8596 90655.1872 96448.0501 86402.2567 81804.7659 91466.7418 125327.5118 91643.2800 115921.8960 128077.6339 115304.7972 91212.4334 86650.1552 106048.2841 107335.1314 89398.4982 LPE(22:6)_feature2 LPE 22:6 40392.3672 45253.9581 55030.0438 37748.6978 52390.9461 19701.2974 37008.4697 23089.4311 23806.5150 21736.7258 123.1404 125.2906 137.9649 123.0346 133.9869 133.0128 27034.3175 26958.4976 27247.5688 26509.5457 30314.7436 27427.8072 27811.0936 26513.8973 26629.4964 10296.1670 11426.3935 14819.3426 15321.0745 40430.2915 32594.3345 28933.0119 40325.7315 37762.1824 23867.5637 20432.0069 26149.8291 25793.1875 30994.5834 35686.7334 42036.3056 41722.6379 28573.1026 38523.8785 31417.4853 23397.9339 39062.4667 31820.7377 20622.7902 52568.1953 41750.3883 31046.3482 34442.3012 36161.0360 29916.5235 26121.7511 25991.6727 25852.5597 27969.8164 38557.8457 31491.4259 36644.1629 38215.6775 36270.7561 22151.0254 21898.1067 25004.8385 25638.6014 20785.5030 LPE(O-15:0)_feature1 LPE O-15:0 114658.7756 114899.5124 119812.5574 117968.6906 115387.6931 116915.6052 118827.0888 116590.9552 117271.4853 121842.6731 89.2208 83.8220 89.8977 90.4370 84.4404 79.1788 120484.6242 117097.3367 112945.0543 115961.2246 117271.8358 112665.8350 116009.7387 117062.9727 120282.4579 118129.3812 117575.2626 114151.2783 121167.0350 114107.7469 118624.0230 114875.3083 118342.5159 118853.1683 113249.9993 117410.0711 119807.9494 116535.0497 120344.9823 113100.4496 120177.2696 115902.6431 115852.0801 115729.8946 121128.8128 113728.7440 115819.6634 118752.5671 117352.3787 122536.5967 120863.7026 116557.3128 118332.3720 118527.4076 117524.1785 117638.7450 113379.8806 118212.5186 119288.3934 115083.3669 122850.1703 116158.6089 119046.7845 114149.7197 112006.3882 120911.8461 117588.1516 118542.4026 121778.2574 PC(32:0)>PC(16:0_16:0)_M+H2CO2_feature2 PC 16:0/16:0 509459.4534 648965.9763 569043.0024 634204.3591 818592.0084 1159736.8200 795617.8422 367605.2886 648319.1080 481008.6990 207.2098 209.2153 207.8061 281.6711 193.7692 197.4840 529894.4088 549610.9548 551290.0382 543110.9881 554118.9550 556767.8497 548959.9814 550286.6056 524415.7165 375631.7547 397219.8256 367010.0006 403636.7837 411661.9147 470096.8082 514054.2708 512960.0396 408554.4542 350865.9039 315519.1285 395840.1538 340347.5023 404372.8071 380619.1151 664581.4155 510496.4509 500718.7270 554653.5255 649999.4123 488973.4792 606611.7828 425203.4242 396543.4317 577447.3807 751198.2401 345239.8119 452487.5872 644810.2848 428519.3256 549787.1395 579889.6464 551820.9732 790611.5221 462633.7153 415327.5184 531332.1168 510049.8331 761324.0204 488011.0310 693073.3404 1302566.0600 414329.1337 392629.7763 PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1)_M+H2CO2_feature1 PC 32:1 163859.8191 185091.4123 323748.0065 248135.0660 216247.0422 136623.3055 122838.1531 119758.2174 151345.2561 117867.9637 159.2795 163.0456 158.6438 162.1415 161.4473 151.6361 164820.7503 167607.9961 159639.3937 149323.5128 171922.1557 139194.3957 170111.2309 162437.1176 167017.4016 69211.6207 72871.7488 55070.5241 84258.3467 99414.9787 113095.6180 139878.8054 115930.2129 117704.9308 131372.6143 77822.5658 133878.1819 131476.4989 153221.2306 131804.3597 114476.5057 96075.2308 98117.0556 83003.3040 91419.7383 91295.5103 139793.2367 130080.4909 105871.7519 170369.1860 178501.6200 137688.3798 151050.5163 200404.7716 150561.3008 154842.3041 89702.8949 153227.4488 173907.6096 265552.5531 108307.4525 362394.9121 233166.5334 220047.5316 107319.7449 326718.6765 217601.5695 276893.2596 288249.6516 PC(32:2)>PC(14:0_18:2)_M+H2CO2_feature1 PC 14:0_18:2 75783.7703 84396.6443 138063.4777 124150.5512 93880.1216 73204.3881 65241.8347 62502.1782 81206.5297 58644.4195 151.4520 141.5747 150.4904 149.0191 140.6546 138.2157 81670.1448 79358.5554 79365.5989 78724.4206 80512.8007 78535.4072 80834.3785 81854.8789 78899.0677 59373.0951 64671.6600 59736.0754 66973.3067 49547.6069 59290.2775 64003.2569 54469.7498 60953.2758 64255.9658 49727.5904 68226.1622 69560.1770 75062.4725 57188.3974 64241.6858 42568.1411 48737.5076 58435.5071 63884.9656 58821.6837 63619.5103 77952.9111 68347.2395 103832.2460 81344.3191 62913.4715 83244.5924 100047.9821 83703.0982 106323.4306 53195.0987 76531.7384 74676.1193 88837.6357 54876.8750 149191.5977 128833.2608 103011.7872 73976.1962 112665.1297 99678.0614 129353.0650 137881.4622 PC(34:0)>PC(16:0/18:0)_M+H2CO2_feature4 PC 16:0/18:0 387020.0188 469090.6809 440025.2864 431933.9742 426028.3784 378696.0255 343429.9140 261650.9220 324603.4763 284676.5641 238.2384 211.8846 229.5538 244.0672 234.7992 223.2462 330200.5415 334946.0140 351032.8929 339392.9670 334196.1633 352570.4759 336580.6511 329967.6997 337648.6701 286177.5024 294272.3036 251382.8727 273585.0632 348233.1946 310594.3071 317474.7910 338382.7388 301948.9338 249148.9131 236939.7850 334036.4543 274792.4174 314367.9596 341143.2078 393421.3180 340325.3160 321314.7434 357319.9509 351508.7135 281577.6066 371236.5573 291866.6100 288031.4923 499615.6918 416133.1057 277242.9114 365811.4864 384878.5408 289279.6404 282812.1951 283739.0436 299086.7658 330577.6400 291351.1458 342302.0116 342440.3710 383874.4924 403144.9495 268704.0750 310654.5565 419542.1623 265227.1696 247626.0845 PC(34:1)>PC(16:0_18:1)_M+H2CO2_feature2 PC 16:0_18:1 2718244.2450 3213812.3680 4033092.6710 3127010.9830 2866181.3200 2465841.1580 2265416.5700 2067895.1280 2306643.5080 1999466.7580 207.2964 193.2293 204.8226 202.5568 193.2684 191.8003 2560941.9750 2547155.9040 2668236.4130 2545171.6360 2627700.2730 2604015.6270 2528638.6240 2529377.1630 2637876.9070 1643679.1130 1747024.8420 1591987.7410 1699343.8290 2250672.5600 2384755.7020 2780125.1160 2299474.4770 2698505.4430 2106305.2000 1823002.1500 2163308.7310 2093969.1110 2368143.8250 2488739.6680 2640349.9660 2499858.0320 2332961.7800 2551050.8540 2286151.1610 1901763.1170 2518406.6720 2161461.2180 2257053.8010 3782068.7420 3150296.7640 2350745.8010 2753849.3010 3146784.7740 2128754.2240 2229887.8520 1873725.0070 2197029.2030 2264361.4090 3337333.6160 2351560.3260 3785959.6960 3255783.4420 3234085.6570 2304008.3000 3237033.8480 2928081.3630 3266302.0750 3038701.3720 PC(34:2)>PC(16:0_18:2)_M+H2CO2_feature1 PC 16:0_18:2 7465114.8590 9205115.1590 8284878.2920 9513512.5370 7521122.6140 6828934.2250 6272637.2130 5426755.9310 6766420.9940 6276385.5860 198.6650 196.5631 198.2732 583.8663 195.0067 186.3454 7200278.2760 7363735.2780 7253771.3540 7532407.2600 7299453.1820 7280173.7200 7214944.7730 7290400.3240 7356712.8170 6790764.5840 7262784.9900 6398708.0560 6794054.0170 6851644.2740 7884945.1700 6513638.8240 6178426.6140 7489625.4620 6688575.2250 5932008.9280 7552321.3790 6766307.1440 7120677.6630 6310850.8610 7812260.1020 6477791.2710 5822020.3410 7380231.8790 6488880.3200 6884571.3320 6516153.9260 6875969.5480 6796274.4310 9585462.6630 7670012.5470 6896334.4090 8616863.5460 8545084.6100 7308353.6150 7838757.3020 5922728.8950 6916571.3240 6924033.2800 7280025.7040 5939451.1490 9134368.3580 9246106.2430 8305734.0430 6460612.2520 7525961.4510 7147895.2240 8209437.2790 8023990.4440 PC(34:3)>PC(16:0_18:3)_M+H2CO2_feature3 PC 16:0_18:3 144522.3858 168281.4982 292421.9744 173674.7440 179640.3713 64794.9699 62695.2326 37967.7801 65065.0123 37782.0775 163.5871 162.5710 154.2782 149.8548 156.9391 149.0317 115578.7286 114967.2047 116827.1510 119242.5195 113432.2924 113895.5194 112478.7754 121252.6392 114755.8358 32960.2901 35081.8869 35796.1239 27450.6646 115209.8780 119554.4718 187313.5653 115411.3406 134917.4692 62460.7704 48254.4236 72360.9584 68233.7538 82780.9120 107547.5656 151858.4946 139892.5152 121432.5202 156285.0983 62532.8103 52825.1602 93873.6885 77586.5646 42534.0444 175101.4404 182694.3708 119869.1482 132395.7155 196522.6944 88278.8810 73632.8814 56152.0017 46364.9352 73963.9965 222192.6792 122636.2742 204825.2641 166570.8574 161398.0772 65449.7787 108392.8861 93403.8925 115875.8328 64346.0809 PC(34:3)>PC(16:1_18:2)_M+H2CO2_feature2 PC 16:1_18:2 196984.5501 192722.6062 413087.1803 252578.5207 222331.0982 150253.1544 143250.4769 79866.1081 148195.7050 84465.0077 269.7268 253.2490 252.2771 234.6360 221.5492 217.5967 190682.4922 195278.5479 209215.9936 192714.9385 166028.8491 192199.6756 197597.9717 200392.4330 193505.8239 167760.3313 169161.3964 153941.0334 169876.2413 105159.5571 141110.6761 167183.4453 130688.5952 116014.4021 138663.3614 99951.0815 162857.6122 129078.4911 171372.6290 99375.2215 134034.3871 120702.5387 115604.5280 129301.6511 119342.2261 131409.7391 144568.8598 157959.3558 128663.6347 237867.8849 192741.8556 163618.6523 113157.6398 246992.2014 188714.0044 212994.9440 116220.7369 110177.1088 98494.6026 210183.9410 99658.2535 352766.1353 238699.3629 191524.3660 128390.6641 261826.7109 126047.5037 261535.6804 258115.9803 PC(34:4)>PC(14:0_20:4)_M+H2CO2_feature3 PC 14:0_20:4 61374.7851 55805.7090 108003.2693 85398.4882 76439.6411 63143.9358 62456.2888 64490.0089 77600.8270 57345.9094 145.4819 142.2209 137.3196 142.5780 139.5889 129.0729 60721.8963 62841.1402 62513.0419 61982.2720 62279.2205 64511.7181 62737.3182 62925.3625 59568.2413 47315.7581 57025.8701 54315.6842 60147.7106 36071.0073 38658.2632 45594.5284 43575.7837 43508.4588 66535.0410 38025.5603 64283.4105 71451.3675 76917.6888 48346.4115 48595.4365 32894.2120 35293.6214 45974.6868 50194.5242 47617.5607 66255.5796 68839.6826 58450.1615 67033.9552 64776.2105 45683.0510 56634.1829 65758.2680 70651.2863 73573.0687 46173.5035 72327.4078 70586.3903 71783.6196 44665.3028 100977.2829 87338.6356 78344.2453 52904.3814 78926.9744 77341.3250 87917.7802 74832.5010 PC(35:2)>PC(17:0_18:2)_M+H2CO2_feature1 PC 17:0_18:2 23515.9951 24633.7280 30383.1963 44946.4738 20323.7164 19341.1221 18218.8733 17176.9355 20939.9279 18406.6844 199.9100 191.9500 198.3978 190.4748 173.3428 175.0029 21744.5122 20494.8440 23728.0634 19658.0653 20773.2691 21613.1465 23480.3743 22628.3535 19422.8966 25435.5738 26286.4753 26198.1599 28257.2563 15970.2301 17761.8243 15263.0866 16532.6759 20728.6602 20441.2754 13851.9496 26193.9199 22970.8636 20953.2937 14482.2959 21539.8876 11701.5954 12053.0805 17857.6215 14947.7423 21720.1102 15403.5979 23596.0893 15518.7214 25660.6623 22191.0417 16126.8609 23844.4999 26126.4613 23022.7094 26270.5810 16362.7217 20779.7618 19720.9226 26118.4199 13413.8828 35876.8134 29517.7631 23718.0593 18248.0384 29561.5257 18288.2760 27417.3735 25010.2790 PC(35:2)>PC(17:0_18:2)_M+H2CO2_feature2 PC 17:0_18:2 213207.5229 216179.6701 198245.3398 274411.3044 190786.8081 161170.5140 143440.9637 134572.3587 166500.2525 149931.6305 180.5393 191.5465 183.9383 175.8337 166.7403 171.2174 175140.1096 182906.1558 181517.8942 178880.0152 172352.1916 185673.2463 176754.8895 174826.0476 182579.6111 199957.2108 208463.0708 188929.7508 205681.9201 192610.7954 175114.3858 147110.2749 178339.2298 177108.6174 151562.7266 140687.3968 190224.8339 169809.3409 162873.8649 152219.1537 205967.6202 146072.9270 131755.4895 182598.3295 146510.3968 168388.1429 136218.4444 178052.0315 143072.2965 241501.8456 191278.6095 175370.9570 217608.6826 233408.1336 187035.0864 206088.4216 135680.5283 165929.1792 169040.5491 182153.7047 146171.1568 245666.3657 243571.7423 224010.1012 163085.1176 208083.7306 155525.4292 215282.0333 202637.3767 PC(35:4)>PC(15:0_20:4)_M+H2CO2_feature2 PC 15:0_20:4 75644.6360 67962.4700 86595.3521 70457.5322 67279.8882 85079.5358 81224.7982 81431.4148 82160.4709 66179.9115 159.5063 161.1288 163.0294 144.5314 153.5459 143.0697 71458.4840 71669.9798 74384.6794 75935.0779 76531.2084 72551.9988 70034.8274 73847.8121 73198.6626 90840.0281 96724.4977 94238.0211 101278.5069 58325.7697 58253.3873 65485.6202 64923.0159 60878.0849 82298.2725 69837.9333 75956.3776 82476.8962 86181.5944 50606.5607 65005.4318 58947.8615 48702.6943 61652.7321 76939.9936 72426.6271 76517.7198 85141.7902 75580.0369 86937.5734 72112.2283 54727.6353 73131.3978 66119.8592 87512.6948 75158.5443 72926.6470 74873.5053 83691.7485 65056.2469 51556.3920 71609.4108 70783.4377 74248.8385 73581.0695 95088.3020 75922.5888 91593.7338 67130.8605 PC(36:0)>PC(18:0/18:0)_M+H2CO2_feature2 PC 18:0/18:0 202629.0056 220844.7329 216517.4767 186984.0852 192283.6580 103949.6811 115576.7431 107710.4178 129299.6690 112427.6548 185.9285 169.1879 168.3820 181.3473 166.5806 170.7357 150174.5160 154754.4448 159068.0898 149476.1172 152638.5570 151855.9413 157274.2711 151710.0689 152750.0158 114121.8250 127021.5821 104473.4072 106782.8064 229682.6774 162326.7500 154550.1631 208842.2640 152941.1516 107689.9396 109852.7399 148855.0244 118803.2270 148317.3130 240768.3684 182684.6803 176472.8110 182658.1017 189017.6695 141968.3101 115692.1139 167150.3502 130439.0431 113608.3307 240878.5668 188982.6402 148683.5235 180475.7934 174119.1262 120116.2330 104183.6427 118351.7143 117777.6591 111311.8118 134544.9927 184141.1133 138030.3347 178881.5364 165317.9479 108261.1715 96557.4652 109155.0342 95825.9841 78324.7264 PC(36:1)>PC(16:0_20:1)_and_PC(18:0_18:1)_M+H2CO2_feature1 PC 36:1 1883454.4320 2080291.1360 2477729.1600 1976112.6820 1735012.5810 999053.7623 1021485.2710 956216.9944 1078886.2680 1020687.5780 291.7879 237.4315 274.6876 272.2832 245.1687 244.4319 1404238.8290 1435230.0730 1464021.8270 1457798.6850 1431691.4210 1506159.3420 1420131.1420 1416772.8980 1426797.3610 742968.2928 709874.3692 629792.5533 697607.1736 1526103.4390 1489870.0510 1709064.4400 1515877.2850 1621674.9820 937926.1667 866964.5352 1214427.4280 1027621.0920 1258710.5970 1874334.0170 1690573.1750 1534701.5780 1332297.2980 1699311.6460 1116569.1260 928934.4175 1245727.2900 1141106.4780 1001995.2190 2015056.8320 1894483.4930 1461277.7420 1702091.0930 1978161.8070 940759.4327 971679.1215 914451.8959 1026708.5160 1127107.5080 2105702.4000 1614355.2610 2102481.9760 1997120.6010 1842550.0240 1039267.8270 1253753.9690 1066120.3200 1257286.2150 1126932.0730 PC(36:2)>PC(18:0_18:2)_M+H2CO2_feature3 PC 18:0_18:2 8667881.9550 9657283.5850 8999589.5750 10139943.5500 7799465.2520 5271226.2260 5239468.0540 4710147.3660 6069357.9030 5613707.4830 225.1803 211.7806 220.3578 233.1680 221.9784 232.9659 6789861.8030 6956709.5500 7076935.8080 6979357.6530 6660344.9390 6937693.3660 6969185.1890 6795408.0680 6992576.3460 5883368.0980 5935428.5790 5417524.0390 5711704.7600 7524394.1990 7634689.3710 6467165.7160 7319792.8010 7314505.9080 5408905.4230 5125906.1620 6924789.2750 5957779.2050 6411982.6580 7679557.3140 8159159.6680 6741109.0380 6066121.8070 7989924.7830 5437473.9780 5435083.4640 5566842.2450 6032051.2130 5337179.2230 8718571.6980 8303995.2700 7145294.7770 8191093.4830 9252881.2040 6029051.7010 6292297.4300 4961785.7500 6165417.3360 6210785.6350 8036185.2250 7003245.4140 9445389.0360 9346736.6980 8369011.3020 5367144.6460 6110079.7280 5599563.4430 6944660.0670 6248494.4460 PC(36:3)>PC(16:0_20:3)_M+H2CO2_feature5 PC 16:0_20:3 57748.1994 55734.0042 93182.4997 74071.1355 63689.0034 23813.1326 28510.3479 27424.4982 26695.1709 28979.3055 184.3769 191.6239 184.1115 190.0524 173.3051 178.0550 44248.0551 50293.2407 48129.9687 50644.5039 44568.7621 48361.0332 47414.4520 47497.3075 47564.7347 17416.4432 19658.9680 16591.6309 22812.3261 43634.2827 39310.5457 59591.2035 45000.6682 51577.4200 25301.2709 20252.1706 35293.9783 48107.7250 36779.2822 50286.1174 50859.6125 45961.5846 38903.0140 53811.8948 24369.4093 22846.7818 37186.9427 32658.5220 26984.8346 52061.1566 68011.9717 51747.9191 54860.5924 75947.9997 36974.5618 23451.8837 32504.9459 34602.6620 36471.7026 92058.6652 51384.1110 83256.1559 63821.1560 70556.5545 25896.3663 60265.9096 40514.3486 51439.1444 42673.6190 PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature2 PC 18:1_18:2 855945.9721 952101.0100 1051866.6800 1408654.5660 886741.2146 838336.1807 712020.9875 714073.1209 941480.6908 812218.4126 232.0277 230.2807 232.2719 227.4263 219.0509 215.3438 861108.8760 837726.9021 795623.2407 845092.5630 841268.3705 851866.9624 832852.2329 828089.2109 846696.6871 996825.2589 1065101.7840 983962.6172 1116903.4660 682377.9286 718375.3931 582629.7585 699283.3014 731127.1683 818837.5871 620091.6919 914528.6149 855054.3907 967223.7334 633153.5223 831021.9096 499974.1111 528108.0520 731416.8193 601401.3137 880144.2502 641771.0718 912950.0885 741356.4686 1024155.4480 870084.5632 771749.0381 961425.7727 1024014.2230 865934.4197 972097.0974 624325.9862 863743.2533 839484.5148 845348.9202 624126.3757 1339742.5070 1204186.4400 922101.7588 694085.6180 925047.9804 791371.8444 617620.9505 589861.1394 PC(36:4)>PC(18:2/18:2)_M+H2CO2_feature2 PC 18:2/18:2 366271.2885 453621.5244 323767.8441 904005.7111 357077.1000 238089.4218 177536.4930 171184.6428 340103.4436 292941.4005 158.7107 160.4988 162.5678 155.4795 164.3194 159.2914 324747.9788 330801.2979 335132.7683 352581.2055 341456.4534 317624.5943 338382.8805 343353.8352 321657.3159 412850.8651 455226.8563 462048.7922 506671.1836 287312.7923 310355.1272 151097.7045 242162.0273 235648.5395 247116.0831 156613.0586 372178.7657 307409.4520 330596.0514 169563.0946 373274.4269 147972.9264 164496.4642 292651.8990 185708.2417 340103.3809 153970.6616 303166.0061 199141.5048 415383.9475 337706.9474 350758.5299 442710.6931 472866.4798 273277.3324 373582.0322 159612.5380 281898.4363 288253.2166 273104.1632 208513.8969 708502.3292 629096.5604 506821.7791 219234.2883 317080.2532 272908.9384 437143.2790 529843.2913 PC(36:5)>PC(16:0_20:5)_M+H2CO2_feature3 PC 16:0_20:5 167121.3583 164866.9439 283650.2097 251197.1950 199209.9490 92324.9375 76236.0463 73235.2375 108933.1525 93620.7140 179.9531 166.8184 177.1730 164.3132 166.7067 164.0669 138409.0965 142258.3544 142817.9210 140875.5439 142903.3799 137568.8231 144121.8950 142336.2210 138359.4104 81247.2010 88162.9714 79492.8967 91940.4192 97539.1978 101012.8149 108789.5118 97092.3288 100310.6670 92753.0038 57458.0478 116931.2507 115441.7312 104425.6599 102644.7392 110663.8579 63890.1997 61908.6378 99257.5594 66882.2462 82188.0325 91016.3898 100149.9024 76319.9300 154021.5119 181896.9946 148560.1367 172349.8970 228840.9144 188642.9890 218182.4665 85574.5604 121724.6571 137625.1070 281948.6383 123065.9834 323341.0891 240860.4838 223811.2419 70041.6758 210756.1597 101851.9227 160426.0349 156852.3252 PC(36:5)>PC(16:1_20:4)_M+H2CO2_feature2 PC 16:1_20:4 126179.2591 108902.2265 260554.9791 151048.8170 123948.0690 126422.9913 117846.8203 118279.6167 136684.1106 93367.2912 175.8035 171.9923 188.9567 176.1202 174.5004 175.5211 114784.5202 116155.3016 115016.6954 116517.0189 118534.1696 114123.8069 117667.6493 118697.3920 111589.0661 88539.1579 96017.0753 94242.3963 110486.7447 42655.0845 87429.0587 95455.4155 57286.3822 71650.8215 113923.6970 70687.6095 109543.8199 113356.9261 147299.4109 66923.5107 82871.0159 63304.2976 52003.5285 46071.9489 76543.8211 86351.4782 133379.3087 126115.7923 103303.8167 132714.9002 124168.4389 97907.9687 109810.7165 145894.8921 126956.0437 112058.2475 90339.6839 126761.4406 123731.4385 147846.1997 47199.0784 169531.7895 122540.1575 108881.0476 79819.4175 201561.5133 159920.5495 165974.6586 133837.1558 PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature2 PC 17:0_20:4 40756.3586 29470.2224 49555.3282 35982.6626 39432.7994 35410.4512 39184.6471 41079.9218 42092.0533 37902.9739 175.0842 159.9342 152.5773 174.9216 167.7131 174.9804 36851.0164 34418.5040 37016.9086 35689.6825 38751.0785 34824.7750 37477.2428 33466.3460 37453.1434 39736.0608 50416.0083 39051.4846 41667.6862 28978.2613 22002.9455 33740.3020 32359.7858 31407.7722 37316.8942 31103.8490 38739.2912 45547.3792 50544.1012 28672.7497 27377.1612 24289.6051 23616.3193 27452.1987 36223.0051 31011.1643 43886.6526 44342.9517 38203.4704 34573.0442 38198.8306 26250.3950 35754.2480 34579.3832 42011.0619 34119.9756 35751.3631 40754.0314 44894.3955 33418.1115 30977.6514 37503.0134 36239.0019 22376.3994 32222.3493 39151.5051 34747.8057 39617.2530 31127.4084 PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature3 PC 17:0_20:4 552860.5659 475207.5967 559327.0097 428900.2338 456284.5483 371091.0980 404656.5650 417481.3281 404856.8411 366324.1198 185.5409 176.4791 184.0254 173.8017 162.5279 159.6172 382159.9768 397380.7382 412845.8294 402667.8152 395408.7211 404174.9574 404347.3922 393638.1789 388488.8824 391900.8588 376744.1602 332023.7055 348699.8532 472866.9415 371010.0345 424920.9530 503799.9187 432917.7964 387607.6334 359646.4354 412310.3677 379752.2694 435441.7681 474787.1872 469206.4646 466566.3559 368512.2959 476642.2120 413869.0992 354896.7805 467818.5727 435724.0090 374973.9879 484048.0325 443707.7635 312030.8176 424634.5291 386394.4398 381628.2916 315794.0111 386001.7358 379187.4345 385645.9751 370131.0881 379062.7165 315193.0754 363604.5251 374223.0390 337813.4196 325236.1471 303173.3779 318186.5921 225578.8714 PC(38:2)>PC(18:0_20:2)_M+H2CO2_feature3 PC 18:0_20:2 105971.9311 89679.9108 152202.2289 112545.1790 100635.1272 67864.5110 73979.3643 67193.3088 76581.9916 71390.6212 245.7785 217.4184 242.6444 268.5318 217.2150 237.1521 80126.2573 78213.4180 89356.6203 79862.1420 78435.3806 84010.8863 83063.5448 82764.3191 78410.0832 71895.9892 78597.4883 69358.5429 75395.6863 68995.5645 62773.8157 80717.9379 76852.4968 78504.4330 62284.7544 53853.9796 74081.0697 80611.1861 80087.9947 83249.7980 93853.3604 71289.2730 58217.0183 72115.8814 73263.4017 52856.3181 79415.3503 70107.7343 83368.4631 89831.5143 103704.2014 81204.5970 82272.2143 114801.2969 55358.6206 77323.9383 59027.0556 71117.3552 84609.4082 110827.7497 80286.3613 111792.9258 94783.7330 106359.8143 67392.3977 99494.1563 73388.0948 87894.6846 74061.2822 PC(38:3)>PC(18:0_20:3)_M+H2CO2_feature3 PC 18:0_20:3 1200895.6920 1108543.1180 1604072.8630 1215290.4900 1157667.6240 509121.0620 505830.4897 391266.2860 623680.7386 633966.4768 251.2214 256.0399 264.4110 257.4564 234.5924 228.8417 832722.5257 847909.7402 852505.9124 842851.0279 856639.9996 837955.7202 846113.6740 834764.7847 848108.9711 322991.6072 387935.4761 346650.8171 356578.7978 759665.5216 649093.2400 978430.0348 882108.2123 876767.7872 398325.9850 292232.8281 469588.5944 637889.6571 696974.7224 1055406.7800 968509.2840 667532.6316 626374.5341 830415.2666 523303.8057 426137.1109 740264.5471 638393.0019 379959.9628 881553.2629 1157631.7920 961306.9386 957693.2805 1336317.2270 574861.0800 644642.8670 547309.8741 647582.0244 762861.1635 1531447.1340 983309.0174 1397384.7410 1181111.1960 1163903.2280 469179.4235 909581.5301 757242.1544 826824.5756 658569.4195 PC(38:4)>PC(18:0_20:4)_M+H2CO2_feature4 PC 18:0_20:4 16502237.6600 17406294.7000 16714639.6800 14183249.0100 14874492.8200 10671097.8800 11389285.7700 11676341.9500 11735284.8300 11405619.4300 228.3399 224.5663 223.5945 227.2118 237.7023 218.7068 12608064.3500 12756518.5100 13115695.0500 12534409.7800 12853089.0300 12669593.2700 12419474.4400 12656675.2000 13074285.4600 9996986.0250 10161831.6900 8642754.1890 9166134.4020 15015248.7600 13784742.6200 14906143.3600 15708831.0800 14243754.3700 11099848.2900 10780056.2100 12389717.7800 11248406.7600 13334899.0900 16528852.1500 15339641.5200 15224613.0900 13759817.3000 16470081.1500 12935706.1800 10361217.6100 13843484.6900 11535994.1100 11112467.7900 15735143.5600 14924306.5500 11526395.7600 14270475.7200 14021441.0900 10661506.8200 8558082.8590 11223261.5400 11092192.6000 11389356.7500 12637288.5700 14041116.5000 11811505.1900 12926432.7700 13433149.9900 9848460.4350 9103214.4730 9732733.3640 9029541.5510 7069029.9830 PC(38:5)>PC(16:0_22:5)_and_PC(18:1_20:4)_M+H2CO2_feature3 PC 38:5 1463741.6140 1352268.9380 1980954.3640 1567078.7840 1679927.8190 1706017.6990 1709582.8610 1881133.2100 1830460.4480 1668305.7920 231.4061 197.7840 203.9690 201.4158 198.5225 187.2778 1445065.8560 1609241.8230 1583247.4390 1544595.2740 1409890.8150 1563468.8890 1560582.1600 1540906.9600 1507159.5120 1608710.7930 1576873.4790 1531976.7680 1622712.4560 1021309.7910 1237571.5120 1236897.0330 1144172.5030 1271685.2220 1736061.5690 1381457.1700 1533064.3360 1538458.1110 1906014.5810 1251981.6180 1116008.5740 1025778.1490 1151413.5940 1111818.0040 1364583.1510 1481002.1020 1661934.1750 1766002.4280 1570052.4450 1463261.8250 1659851.4920 1218736.1540 1404853.3950 1575392.5220 1582515.0490 1392292.3770 1550981.0750 1568213.2720 1830580.5290 1624789.9780 1239451.5870 1546511.8450 1599016.9400 1241002.4020 1379902.9460 1560861.0800 1514445.6160 1500969.3310 1216279.8940 PC(38:5)>PC(16:0_22:5)_M+H2CO2_feature2 PC 16:0_22:5 1512.0436 1144.2170 2863.3147 3938.9067 1161.5269 1820.7844 975.3438 692.5111 1919.4696 1481.3309 44.5175 42.1279 40.7705 54.0400 48.7615 51.9445 1818.9328 1805.7839 1748.5942 1875.6765 1611.2095 2104.5990 2085.7939 1998.1378 1333.1364 1899.2655 2782.8548 2896.9957 3222.7841 658.1763 616.4910 487.7602 656.6733 615.7660 1068.7245 361.0548 834.7157 1943.7949 1333.3898 311.6131 1079.8340 324.6719 470.0926 775.3824 632.3449 1059.9785 1180.8523 1549.0202 1313.0725 1249.1818 1936.9333 2597.6962 1768.3166 4291.0648 2370.3929 3651.1253 1374.9546 2306.1354 1883.0647 2686.7336 831.0392 7923.2066 2305.2250 3486.8731 1847.1093 3946.6792 2558.2444 4140.3454 4317.3026 PC(38:6)>PC(16:0_22:6)_and_PC(18:0_20:6)_M+H2CO2_feature2 PC 38:6 2808470.5630 3221700.3990 3585401.0570 2613563.9020 2888830.9270 2316645.4780 2447708.4930 2668056.3790 2599301.7370 2429054.9490 167.8341 165.7238 168.5451 166.3652 160.2604 157.0053 2360944.7000 2445249.6020 2421475.7630 2364188.3340 2429217.9220 2358207.4000 2369707.6690 2382976.6440 2447804.3320 1947275.1280 2102663.3460 1856584.5600 1934722.4850 2244525.1100 2385446.3670 2366433.5740 2421050.7770 2414827.2660 2375613.1490 2003215.0920 2326342.4600 2367597.7060 2898523.9770 2342383.6930 2606757.4750 2618328.0530 1959567.4330 2404974.7030 2339885.9300 2033741.9680 3051846.2090 2376254.1130 2265431.0590 2901543.5670 2686877.7150 2163268.8200 2789742.9150 2769973.5560 2375208.3700 1970685.3020 2437709.6960 2399483.2900 2425295.8630 2446353.8940 2124952.6280 2266683.1630 2224286.8100 2186085.4480 1595910.5710 1766491.8550 1757574.5540 1853624.0810 1431154.5860 PC(38:6)>PC(18:2_20:4)_M+H2CO2_feature1 PC 18:2_20:4 586394.3516 585715.3788 735178.0140 766469.3796 595127.6776 452540.4079 444940.4583 390542.6127 532666.0913 471029.6736 164.7303 167.4189 166.9189 164.7051 155.1711 149.7009 503137.8585 517219.1554 523018.7540 523324.7239 528876.5758 516349.6452 503242.2808 508607.0684 523312.3930 533730.3994 604844.7140 538947.0672 606715.4223 384066.2673 430161.5774 377500.4937 420685.7902 366716.0282 463523.7093 318037.3668 504027.5942 498825.4729 560572.9879 363174.3407 494991.5819 327383.9262 339914.0594 491627.4462 392183.1561 491378.4349 492847.9942 582148.7316 446293.6315 589460.5178 597969.9403 486270.4866 608246.5126 687296.2702 543413.1990 543694.2073 414273.9634 495070.2184 521862.0612 586273.8120 381982.6375 750808.1320 633815.1843 654760.9285 434576.4440 580464.9160 513431.0384 598128.3043 503976.2074 PC(39:4)>PC(19:0_20:4)_M+H2CO2_feature3 PC 19:0_20:4 110752.4003 108046.9104 139075.7657 62993.5836 103870.4048 84760.1974 132664.3803 115398.5272 109062.7226 106852.2945 204.5589 200.6860 215.3851 202.1731 194.0228 181.2265 99923.3395 100340.9504 102078.3895 92649.3309 103001.0471 93351.9977 105932.4513 93490.2286 102888.2722 100404.0184 98974.2396 87428.9019 86535.3650 103703.0107 78407.2497 108671.5757 111698.1299 89523.2844 117393.0771 96670.4276 130003.6602 104393.0373 139558.3824 109378.4415 103966.4230 56008.9307 78044.4533 109141.3297 109880.9975 106004.5940 138893.4854 141537.3440 100394.4390 99514.6878 89939.3871 74854.1172 104016.7712 97211.7822 111641.8276 94605.8279 122459.8954 108585.7481 131323.4464 92043.9315 101201.7136 91491.1006 83803.3742 73553.3233 88492.3382 86393.2441 92004.8024 86596.5500 61356.2492 PC(39:4)>PC(19:0_20:4)_M+H2CO2_feature5 PC 19:0_20:4 139950.6168 134815.8835 161581.5538 116417.6087 134567.6272 76778.6539 94069.5988 91670.0319 87992.1886 79246.9234 197.3406 189.5233 194.6965 206.2814 190.8456 195.0170 104982.5585 107365.3654 106633.6825 101815.6357 97475.0338 105080.2712 102274.6641 108852.7117 105840.3814 84851.2095 90591.3042 77567.7909 87005.9948 126361.9156 98115.9579 141095.0828 137691.3675 115691.9297 85578.0204 79147.2835 102888.1643 91321.7460 90158.5865 125747.2080 136270.9513 131863.3943 106514.2508 135933.4870 88470.0631 78696.3472 103033.1933 100879.6793 80733.4627 138772.1303 123151.2359 91308.9546 132131.6538 116616.5586 93735.0763 75930.2981 92822.2750 83180.5953 91994.7900 115964.8521 117173.6885 101391.8898 112114.5310 111294.2728 84623.9640 90335.7078 76526.4398 73906.5483 54690.9642 PC(40:4)>PC(18:0_22:4)_M+H2CO2_feature2 PC 18:0_22:4 246771.9371 231051.8175 272255.3752 183634.6036 214220.3250 99649.8979 108481.2097 99852.0185 105161.8945 108639.5198 214.5138 204.6748 211.9672 233.6488 202.7344 204.5939 148559.4321 153227.6021 151981.3970 146103.2007 154477.7644 151448.0251 154140.0650 143739.5503 153255.8508 73125.2447 76358.9789 69568.6952 74363.9572 184521.1614 154946.7620 243513.6057 235494.6976 220608.1784 92835.7593 86360.0150 124779.4300 104044.7684 133884.2167 229942.8331 252106.6787 217323.1490 172957.1159 207160.6517 119768.9484 80474.9671 160857.3511 110000.1296 100461.7118 189058.2474 204418.3741 161160.9595 176115.0512 187758.2130 80371.3115 69416.4860 86306.3190 83092.9653 110353.1004 180303.6614 183580.3261 189694.2469 177727.9674 188319.8631 79331.1457 111459.5635 117066.2495 88326.7525 70440.0326 PC(40:4)>PC(20:0_20:4)_M+H2CO2_feature3 PC 20:0_20:4 47552.6228 41718.1306 53434.0105 46309.0761 47864.5166 31020.5173 34398.0703 32707.0065 39278.4819 31283.9877 264.5283 233.3272 259.6483 244.3719 192.5987 214.9597 24701.4540 38433.3544 38589.7123 37221.8467 37252.9022 36263.5865 33313.3222 33369.1235 32519.2742 34710.4499 32060.4605 30990.1533 29168.2226 38370.7309 32837.1503 37589.0358 43735.7021 35715.5576 30592.2703 26949.6842 40397.5261 34719.9281 36738.7902 37006.4783 39740.8352 37816.5558 31162.2817 39824.7786 31785.0643 30840.2315 38818.2316 41725.9049 27894.3312 42192.3103 43289.2049 28519.8555 37733.5331 38203.2449 38030.4745 31565.3296 27976.6372 30661.2449 43482.6995 37757.4098 33687.2613 37789.9451 42844.0511 34343.5439 25997.7367 31206.6649 27618.7134 32072.8943 20631.8743 PC(40:5)>PC(18:0_22:5)_M+H2CO2_feature3 PC 18:0_22:5 595254.2886 633262.5766 795245.2221 536322.9448 590220.7459 367994.8539 369217.7014 419693.5832 356012.5840 389397.1577 256.4006 261.3152 238.9235 227.3636 219.4351 218.0894 465214.0164 419390.8321 436651.1644 453237.0684 461650.8024 415687.4229 463016.3349 422743.2547 457375.7918 338891.4832 289279.2460 280400.1297 306336.2020 446934.4016 480438.9751 469445.7953 494495.5415 540163.3262 311235.8384 320414.9216 381963.6783 330648.4287 345102.7281 543404.8121 462553.5015 445978.7241 412454.4985 461836.0813 315902.1126 280980.0351 424721.0529 342078.0758 321725.8743 580606.2987 475851.8762 491790.8521 544840.4166 600786.9673 340404.0381 347140.5074 370643.9698 339039.6332 430880.0090 596323.8858 480428.0403 565307.7371 599221.2243 548890.2777 308710.2863 391851.5501 321243.5582 277385.9715 299258.3409 PC(40:5)>PC(18:0_22:5)_M+H2CO2_feature4 PC 18:0_22:5 281912.3609 251589.5830 327967.6723 199518.2877 245068.3325 78982.6485 85521.5063 91750.0935 94819.1737 87388.0170 192.8137 196.6276 203.1756 205.5788 186.4027 182.9286 162186.9877 154636.2410 156712.0346 165493.7850 164393.0049 159668.7685 153757.5216 158954.4787 162133.3496 26428.7083 28894.9196 31667.1178 35753.7611 242851.1922 165463.9379 281076.6319 352680.8595 282973.7825 82853.9410 58843.9834 112581.2354 92558.9836 134799.5819 276700.0014 330323.9528 315387.4252 235988.0341 266679.1457 101167.9485 60386.0274 184747.6321 110319.0823 89439.5652 203456.3705 225632.1792 156167.5354 171698.9216 188721.1674 70504.8446 49239.4506 57768.7998 66763.3652 109083.7994 198346.2238 192481.7092 199648.4504 190485.6050 190982.1199 49693.5983 86896.2123 79677.1214 66385.1881 49451.5176 PC(40:6)>PC(18:0_22:6)_M+H2CO2_feature3 PC 18:0_22:6 4395617.4860 4841889.4220 4788863.4920 3753520.7720 4284085.2510 1735403.1590 2011057.0760 2037905.6810 2068755.4150 2039717.6390 193.7211 188.5158 193.1783 200.7678 188.6221 192.2033 2883348.9630 3024256.1180 2983390.4300 2867416.0310 2892145.1980 2940577.8800 2983800.4970 2969119.9750 2907313.9100 1333618.5620 1437501.4130 1261170.7030 1350762.3400 3945389.6700 3653763.9890 3669775.0210 4193009.8440 3861088.0380 1951401.4750 1806847.9940 2358963.4920 1967491.6470 2734174.8750 4237068.9790 4116693.3710 4344884.2530 3340635.1320 4084161.4540 2216821.0440 1643647.4290 2869370.5640 1968816.3010 1884656.5250 3812594.6160 3868144.1700 3028690.8570 3783111.6670 3879560.2630 2073066.5440 1684453.6600 2094800.9860 2039499.6290 2160120.3540 3453273.4380 3487368.1710 3076739.5370 3344944.3720 3221136.9610 1467482.4800 1566937.3730 1531881.1620 1531389.0670 1153167.8730 PC(40:7)>PC(18:1_22:6)_M+H2CO2_feature3 PC 18:1_22:6 269170.4150 239140.8369 414911.4865 259079.6650 294307.1212 174497.9858 191116.5872 223295.2009 212613.7072 185490.5645 197.3508 190.1372 180.4379 210.6481 186.4176 177.4977 202171.3790 211003.8466 208002.0227 199963.0179 206936.8139 199172.7279 208257.6127 200196.6163 211423.7786 130014.5303 157328.0329 144877.1827 158067.7411 161731.2626 166535.6011 193876.3753 209859.7742 183430.9031 199814.1844 129831.8901 169695.5421 173547.9807 234720.9171 199046.9060 197328.8858 153507.7008 145376.3419 180339.5474 141690.3656 153462.8166 225330.3211 203817.1558 165258.8568 230119.7082 266056.0686 190944.8833 260977.5850 268503.2749 194697.7413 159512.5947 186148.1045 186979.6068 204418.1706 249633.7535 178723.0468 242739.9547 225700.5122 195783.9108 117795.6198 166983.3089 149113.7815 148872.0083 108290.5308 PC(40:8)>PC(20:4_20:4)_M+H2CO2_feature1 PC 20:4/20:4 258355.7578 231528.7462 307927.2531 263361.1100 225137.5772 180478.9696 206957.1315 182330.7252 207057.4900 190442.1528 147.5521 144.2757 158.4211 142.2983 140.9113 141.6569 195052.4393 196944.6979 194086.1156 192995.7481 201713.0693 192345.4657 196576.8503 193975.3025 196225.3180 184349.8131 198578.9482 193733.5279 215233.8727 158719.4441 163348.6252 177902.6667 199280.6547 158561.6603 176477.7843 141934.8080 194036.4096 198444.1329 236322.7665 170120.7373 200038.5169 181686.3006 144266.8758 210944.4491 181074.7795 171745.0975 264777.3060 220516.3934 189397.8409 217714.0020 249456.3892 169817.0331 234850.2294 267932.5160 186367.1753 154971.8058 185012.4869 181484.3546 192424.6767 215287.4780 169064.7990 242745.5965 204285.6936 212989.7128 142476.6140 177491.9709 179522.8623 182679.9054 127375.5979 PC(42:10)>PC(20:4_22:6)_M+H2CO2_feature1 PC 20:4_22:6 65692.6141 56208.1476 85153.3940 60342.9517 57650.2326 21987.5335 25246.5026 21017.5317 26451.2282 22500.6914 156.4891 133.2200 131.0625 134.4483 130.5911 125.4589 36913.7549 37959.2850 37075.5616 36667.2540 35800.0186 38670.4960 36181.8242 37612.0251 37199.5420 18421.0449 21157.5564 22109.9403 22748.9468 32949.2516 36336.3477 42052.2167 45194.7661 33961.0735 22477.2952 15150.4084 26196.0451 24785.2275 32308.9131 36312.8420 48110.8106 42389.5412 30687.9252 48110.7655 21450.2539 21962.9651 39388.2332 26063.9232 21096.3807 46582.8994 69354.2041 44091.5379 56870.4269 70174.5099 27104.8422 22137.9587 26083.2841 26071.3995 28934.7510 55425.5552 35348.9970 64848.5297 50692.9385 51440.3550 15844.4972 24062.6233 23284.6181 23893.5853 17721.5924 PC(O-34:1)_feature2 PC O-34:1 164250.4911 171932.6734 194326.3968 143305.8516 198410.0388 142325.9529 122514.5937 71630.0657 95508.1495 78709.1434 239.1023 227.7735 235.3529 246.5340 233.4187 233.1530 118750.4241 123317.7001 124086.1004 121821.7062 124852.4051 122190.4094 121126.7674 119233.6235 123571.8482 80710.9162 83370.6857 66599.8847 73772.9913 141998.3240 137158.9936 163303.1718 146558.9115 154876.2829 62222.1329 72942.9645 88641.1761 69862.3674 75212.4027 171937.0278 182755.8533 168368.7747 146879.1533 180213.1703 112672.8014 84208.7057 102893.8789 79964.1257 78090.2429 180900.2389 180614.5751 98525.2834 140682.2989 153790.7648 69739.9374 72825.5264 96529.9418 75171.8308 101846.6486 130930.1832 138423.5704 122729.9787 132494.1974 150286.4158 75974.5203 102266.7849 163372.0665 67251.4025 62617.3384 PC(O-36:4)>PC(O-16:0/20:4) M+ H2CO2_feature4 PC O-16:0/20:4 275740.4871 294061.6863 308646.4001 243618.4043 265435.3536 178589.1844 188286.1843 173534.3546 172658.3294 168031.9627 191.0695 197.4191 183.3342 180.6914 177.6433 178.2838 201982.7513 206212.7050 211870.0111 206455.4935 200517.1256 205610.5205 208530.5571 198605.6394 210163.5523 188910.5616 195707.5617 159170.8447 171687.3936 237034.5350 212072.3035 264086.3614 211697.4729 245971.2426 146222.1093 170451.7453 200237.8281 157510.0424 167123.7294 266706.1709 272764.2164 261921.5168 217495.7143 288128.7108 202439.2021 162682.1360 201151.7197 167490.4423 158863.0109 294303.4656 273057.7401 178631.6437 270674.7501 253277.5007 156729.6814 134377.1863 175992.2222 152413.6713 177395.1366 238200.4074 223751.5801 211783.6138 215542.3006 194595.6918 139467.9216 144650.0377 159254.3453 115878.9250 121119.9990 PC(O-36:5)>PC(O-16:1/20:4)_M+H2CO2_feature5 PC O-16:1/20:4 119925.0093 147327.5980 129463.0156 103353.4927 112763.2768 60458.5486 69259.2559 61602.0485 64728.4304 64384.7810 190.7308 183.1706 189.3589 183.6581 167.1506 173.2606 86705.8900 85695.4504 91333.9916 84970.3417 86141.5803 80431.9923 87871.1289 84044.3957 91537.9264 75633.7013 77661.2023 56191.4420 64190.5310 118152.2344 111150.4609 108742.4285 104245.3322 107449.5547 62937.7809 62809.0846 78562.5933 70256.7245 72953.8400 132007.1020 133467.4542 135437.7358 107600.0185 143745.2000 95596.4697 69224.2155 87659.7457 74122.0040 68916.9525 144135.2124 113211.3958 77614.4938 119427.9292 102567.9664 55790.7130 53040.1373 73192.3291 56906.4412 68653.1351 89798.6196 93787.7064 79514.6638 100860.4554 92889.0016 52696.4794 55324.9942 54106.2833 47667.7350 42073.7551 PC(O-38:4)>PC(O-18:0/20:4)_M+H2CO2_feature6 PC O-18:0/20:4 71156.2044 83157.4486 82966.5475 63560.8904 80975.8035 60751.8428 51736.4334 43451.8173 49429.1074 45497.8809 216.3167 208.9484 216.3471 235.5190 204.3229 206.1625 53710.2778 61065.3255 58428.4689 55517.5962 59655.0311 57592.3494 54477.1826 59216.5031 57051.5909 52352.4362 52076.7124 44462.5317 47757.7187 63058.1745 56652.4029 73601.3402 60512.1183 69341.7939 37914.9800 44929.0699 52091.5033 40902.7491 43996.6249 77308.6853 81868.2226 79323.0265 67872.3382 89481.8576 59225.2620 45261.7413 57392.4646 43907.1161 45565.5551 77485.1994 78464.0655 42480.4185 72666.0242 70597.0945 36611.1484 34943.9894 47150.3940 39144.3851 52863.5900 57135.7993 57512.1038 55993.8675 65163.0872 67742.9703 39449.2941 44652.2455 55454.5111 32098.1710 32329.7332 PC(O-38:5)>PC(O-18:1/20:4)_M+H2CO2_feature1 PC O-18:1/20:4 208820.3178 224013.3534 238904.6338 188303.0799 206927.8944 157244.0472 156071.8211 127893.4261 139047.5268 126861.1228 180.0006 191.0660 183.5642 180.9794 171.6949 176.3820 159131.7692 165273.1792 170421.4802 153365.6177 157878.8049 171837.3909 165358.7473 152482.2509 166780.5673 150147.8066 163431.8420 127446.8762 143763.6957 181283.8741 173275.4003 207483.8462 164166.1314 193269.4407 111429.0492 126162.7040 153405.7975 120618.1600 134011.3853 210450.8449 218197.1929 219414.7619 176077.2333 227012.4865 167130.2783 128965.5788 157765.1231 131609.9380 126680.2674 239480.5042 212813.3797 137979.0859 192065.2533 191290.6666 112966.9690 103104.0764 140359.8195 119857.6052 142208.0338 173206.1706 181871.9412 157258.2064 172482.0288 166750.5460 114446.4686 122785.4534 139763.8714 98864.5948 98906.4521 PC(O-40:4)>PC(O-20:0/20:4)_M+H2CO2_feature2 PC O-20:0/20:4 34454.1760 39293.2972 35223.7062 33243.9351 30829.5835 18931.6602 18192.2306 18825.1100 21602.6366 20076.2096 167.4124 173.0609 163.2116 167.4527 153.4349 158.7473 24913.2984 26050.8977 25126.5330 25162.5468 23321.2289 23844.5753 26136.8635 24660.8211 25881.2171 25228.2426 24334.3230 22898.7749 21763.9136 29775.1532 30566.4339 26568.9648 28570.3051 27846.0490 16264.9752 17559.9128 24668.2271 19275.6541 22754.1297 25468.8708 31953.0195 28059.0789 24801.3615 33551.1041 21093.2723 21678.1820 22572.3673 22279.6765 18557.1288 35671.1823 31900.0380 23317.7029 34832.8848 33497.5740 15788.4873 13518.9181 18159.9811 18401.4451 24055.7878 23890.9197 23426.0982 28302.3439 32474.9401 28027.1290 14564.2925 16005.4986 16303.3051 16033.9042 13635.8648 PE(34:2)>PE(16:0_18:2)_feature2 PE 16:0_18:2 25056.9823 38159.3636 54680.0900 44796.8215 49729.8523 56084.6160 65348.3656 40722.1027 59078.9840 42006.0189 183.5182 175.9055 181.5005 157.4644 142.2258 148.1435 38372.9608 39850.9017 39428.2469 40390.5638 41435.2556 38298.2130 41040.2816 38850.8771 38846.6735 18204.4159 18137.5343 28233.8630 28819.1342 28314.1537 22131.6971 25292.5650 23033.3626 26753.1932 36760.2536 28296.7617 48257.6087 39903.8304 52645.3289 14345.8323 36647.9734 23208.1593 21864.5411 32062.0189 45147.6219 29817.4960 37709.2955 53510.9930 42315.5163 53231.1271 38109.2442 25912.4702 25247.5364 35929.6772 61854.7754 63253.4819 37524.7031 62438.0608 68591.3219 33740.0849 17043.6718 38676.4915 35604.3663 35342.4578 32536.6910 43623.5667 68630.7500 63542.6450 47769.0875 PE(36:2)>PE(18:0_18:2)_feature2 PE 18:0_18:2 38094.0900 75019.7435 61599.2471 100355.1990 77939.4208 105813.4859 94680.2527 58110.4006 103836.3917 84050.6206 184.6448 177.5381 194.3020 179.8153 171.9496 164.7973 72453.1279 72183.8805 75874.1400 72956.9110 74658.4957 73711.9562 73528.3053 71558.1201 73959.1065 57069.3739 58656.1730 81220.1531 82965.3755 54256.3064 45041.2371 41796.6094 43689.1671 41326.6859 65580.4882 42176.4655 101398.1513 64163.2671 96290.7357 29308.7933 73400.7387 38147.0342 32616.4931 50543.7784 56995.5821 47577.8316 52273.5271 95915.1112 63833.9618 57084.1566 68040.9678 55279.6170 46453.2916 86545.4036 127207.4910 143905.0639 67751.6100 112330.9789 136770.5504 68783.4752 33078.5142 112701.4597 91199.9355 78220.8356 57320.7273 83618.0891 126041.5766 106513.0341 110302.5468 PE(36:4)>(16:0_20:4)_feature3 39663.4219 64439.2789 60472.7069 61466.2383 72593.5914 132735.8572 125868.2412 81227.6280 105881.4991 80526.7700 142.4645 137.8877 139.3797 132.5166 136.8508 131.0647 65992.8378 65866.9554 64793.6957 66986.3275 69832.1010 69010.3033 65978.2490 64581.5815 65596.2769 28135.1244 29633.9382 42206.0342 44286.9368 40304.9383 38809.6518 39655.2079 37718.6346 37339.4309 70396.3299 53341.6595 79007.7045 72207.1390 95769.0339 29279.3781 58360.1973 37665.1951 33712.2024 41782.0312 77819.2369 54554.4327 81013.4626 80848.7982 76168.6987 48669.4981 66320.3188 35211.8085 35976.8567 55361.8927 104509.4227 92428.9109 77562.1769 110842.3159 142616.2335 50918.2874 37502.6000 56734.6934 47219.1300 59207.0312 62251.3666 88564.1395 155946.7163 103768.4599 72042.4549 PE(38:4)>PE(18:0_20:4)_feature5 PE 18:0_20:4 198133.2232 308409.0900 277115.2190 269960.8554 385556.2129 622714.7009 521048.2906 284851.0639 459999.8612 304568.7880 178.9796 172.1326 189.7439 181.5632 174.3080 162.8719 290337.8711 298664.0899 301665.2461 296337.4383 302897.1308 288514.4551 296081.7770 295613.5596 298390.5233 133825.5651 129674.6791 191682.3600 198511.5700 204856.2092 210006.6208 233131.4131 236839.2705 160182.9676 241560.2566 217135.2349 285364.9428 257158.6520 395190.8104 136899.2424 339038.6200 222385.7763 188371.3679 243441.8345 344948.5259 228476.9014 312677.0195 321333.5787 256908.8306 197044.8571 373196.4856 146241.9817 158417.4604 280389.9013 389925.5292 395053.6842 339273.0108 447752.5516 567522.3701 240750.3655 161127.8443 256424.2978 237119.8350 340954.2807 279373.2302 364503.4969 737330.4632 365989.6360 278608.9406 PE(38:5)>PE(16:0_22:5)_and_PE(38:5)>PE(18:1_20:4)_feature3 PE 38:5 14022.5749 27432.3984 24627.4937 18381.2519 28192.6204 58654.4081 52158.2645 35159.1243 44964.4354 34862.3110 203.0362 179.0880 177.3232 192.1750 184.1216 191.9603 25729.6556 26989.8159 26517.7560 27892.7159 26904.7102 25909.7386 29474.0710 26637.6630 24626.9787 12510.5645 13708.9405 19794.3564 20638.2528 12185.4019 12248.2714 13294.4843 12776.3391 13162.8041 27553.3344 20050.6231 23383.5895 30451.1900 37398.6792 9374.7758 17839.2804 10925.5521 13589.1822 14272.2737 27468.3488 21225.9680 27729.6204 32592.0449 30069.1316 16833.2697 26268.4185 12184.6093 12391.6823 22128.8603 44039.0413 38619.7242 30371.2464 44602.2113 55191.0511 17871.5796 17300.7217 22898.3589 17812.9180 24339.1405 26202.6897 37603.8001 62070.5007 39329.5741 31622.5172 PE(38:6)>PE(16:0_22:6)_feature3 PE 16:0_22:6 29117.4451 47550.5736 57326.3485 32570.6181 42131.5284 45647.5213 68605.3021 54484.0472 61181.1729 50543.5161 146.1550 143.7764 149.3138 150.8521 157.7886 137.4374 35121.1571 38093.8536 39028.6733 37757.3781 37040.3440 38003.0987 37754.4204 37078.6848 36470.5436 10616.4163 9336.1030 15980.0565 18510.8410 29634.1393 22812.3126 23100.3969 27555.6831 27531.3525 45964.5727 34005.0425 42869.0177 46544.8864 80302.0996 18291.1724 31521.8190 24783.5715 21671.4778 27234.1285 41024.2816 25412.9803 48479.2914 44942.2538 46355.7917 34045.1997 35861.9920 22168.5408 24468.0314 29217.0940 58299.2377 37201.2036 41957.8528 65273.8130 69245.0285 32581.9470 23522.7768 28596.4739 25098.4619 23323.8024 23771.8426 27906.5131 33062.9344 42838.5868 25470.2930 PE(40:6)>PE(18:0_22:6)_feature2 PE 18:0_22:6 20326.9591 43046.5953 36481.0451 29671.5660 28114.1753 31375.9858 43400.1229 37569.6302 42322.2649 33853.1562 180.8691 172.2898 178.3854 167.3961 163.5823 162.5728 28225.4737 27275.4468 29177.2177 27478.1005 29626.9650 26470.7191 26019.1871 28549.8979 29436.2571 9505.4129 9448.4441 15208.6954 15466.4640 26022.8946 19958.6748 22102.0961 23482.3601 23972.5441 32042.9437 24370.5779 30608.1826 31965.0582 55598.9840 21760.5997 27973.1458 19386.9404 19191.6236 24380.9646 25390.1066 17030.3900 32038.5688 31252.5960 28758.7886 23425.8504 26532.3220 18344.2761 18982.9238 20947.0035 45961.2372 32750.0504 30989.3638 47110.9592 50423.0158 27281.5413 22161.0934 25089.2417 23122.3604 19293.6944 16541.1476 19420.5666 24884.6948 32747.8841 21887.7664 PE(O-36:5)>PE(O-16:1/20:4)_feature3 PE O-16:1/20:4 113522.5281 143329.9973 97779.9182 126149.9265 237701.7195 418261.9029 237661.5740 47888.1027 169483.0126 94945.3693 172.9635 179.5741 172.3921 176.2802 162.9540 158.3247 115085.5042 123883.6165 122372.2476 113411.4396 117643.2153 120822.6129 122172.3676 117887.2351 117787.5233 54378.0852 59608.5616 56194.9356 59297.6077 72503.7025 94979.6977 113513.5811 106927.8948 71104.8208 40886.7659 40870.9512 48905.3325 43162.1715 48909.1948 77943.7529 165900.5138 119346.4813 111621.4574 120110.5111 166197.4304 98430.1621 140688.5416 69933.2309 51617.9553 95228.5101 200354.5652 49306.2793 70855.0804 152091.4521 77965.7052 135565.9888 144807.1000 122568.5623 223511.2955 80742.0484 79258.1114 83396.4438 83635.0437 203353.0594 117737.8625 175307.2195 471602.6023 66316.1890 67420.0040 PE(O-38:4)>PE(O-18:0/20:4)_and_PE(O-18:2/20:2)_feature4 PE O-38:4 49012.1566 61230.1640 44317.2335 60366.7828 99168.3114 164187.1104 91843.8130 23515.9923 70705.9686 41948.1003 211.9598 188.0123 217.3646 205.9363 185.3091 184.6333 54266.0137 50747.3838 53348.6215 53533.6582 54378.9299 53717.1704 50602.6835 53833.0241 53335.2568 31043.0561 30734.7309 34862.5767 33199.2812 34450.0381 44784.5687 47175.9479 45159.3214 30865.3362 20743.8895 20504.2238 29356.4600 21485.7311 27717.5373 31558.9718 74190.9771 50603.0948 46676.4738 53523.1175 69897.0097 43978.9953 58575.7389 36247.6217 22831.0101 50275.4955 92524.4176 27744.4097 37499.6340 69922.3787 29774.5116 51831.9050 55678.2995 55872.7667 100985.9200 35495.0559 32706.7933 45651.4195 51947.5462 84291.0248 44622.1467 74047.1504 160273.7326 32934.7723 32426.2065 PE(O-38:5)>PE(O-16:1/22:4)_feature5 PE O-16:1/22:4 59370.1993 70698.5866 50410.3934 57371.0175 108082.3910 163846.1890 99981.6952 24164.3074 66651.2935 40688.0069 186.2228 189.8057 196.0058 182.5947 174.6217 167.3719 54959.3493 59784.9849 57811.4430 57019.4143 57881.3123 56570.2330 58124.2641 56569.1587 57513.0171 26837.6079 29157.9561 27971.4363 31804.5324 40589.0150 45835.1450 57503.1390 59289.0591 40658.4101 21313.6548 19672.1724 27525.9528 24342.8145 25536.0293 49246.6512 81806.1907 64656.9206 60607.0669 62753.8577 73049.9622 45961.2984 65642.7306 34420.4697 27606.8362 54451.5176 90677.0138 27583.9732 38684.3472 62670.5897 31530.2688 50480.6841 60357.2399 48440.4387 94130.4977 38392.4822 42478.6547 42391.3272 45917.2097 95763.8395 53519.8429 77165.6957 233510.5089 33645.5427 31657.5611 PE(O-38:5)>PE(O-18:1/20:4)_feature6 PE O-18:1/20:4 251932.2914 298513.7306 215439.0638 256039.9543 439640.1183 669395.2757 385763.0419 91936.4327 284329.3460 171084.1400 204.0314 181.7483 198.3308 191.5102 176.1261 182.1486 228860.0108 231015.0640 235495.4933 234486.3289 237775.1731 240488.9185 232234.1900 226986.2895 231694.9736 124644.3716 129494.8324 125725.7386 131074.7167 176504.7207 201239.7231 232713.6206 239457.0984 168410.4952 73436.6399 79050.2953 104637.4495 86951.3310 96632.8115 196384.9676 356303.1875 272711.1135 239134.4408 266872.5834 278369.1448 168520.0206 243560.0348 137109.4612 95131.4644 234121.9951 392059.3826 119912.9734 178828.4728 300300.7384 126452.5195 213628.2112 249797.2726 211554.6498 394495.5410 172552.7555 175116.2448 193357.2639 209906.1181 379237.2478 197865.7007 296002.6283 739419.9391 127918.8167 124963.3605 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature2 PE O-38:6 95146.1558 131341.8455 96961.0186 104685.1786 186345.7000 295620.7895 172218.4998 43255.2085 125086.0315 74485.5470 188.2793 199.8175 198.4021 187.6605 180.4466 183.8377 98991.8590 101925.1849 102584.3566 96820.7287 104446.9857 100608.2866 102791.3303 101471.9668 97886.7120 55538.8967 57154.0772 57088.5479 61072.8796 67562.8566 83608.2818 98112.5374 94441.2297 66258.2105 38013.6406 36854.6939 46228.0029 41615.2519 46029.2821 75564.0146 136028.7402 101069.6498 94497.7628 103822.9351 123423.9558 77677.6647 102074.8049 57811.7591 45844.9686 93506.4152 165472.2242 48675.0158 71250.4983 127159.8094 70542.2591 110117.3649 109718.7271 96127.9189 164839.6680 75443.5356 77989.0463 82024.4364 77988.9096 174941.5739 93402.3354 143609.8015 341170.1133 59415.0790 62499.8620 PE(O-38:7)>PE(O-16:1/22:6)_and_PE(O-20:7/18:0)_feature2 PE O-38:7 162624.7665 217718.4740 252040.2802 173810.3466 202208.3700 68909.2866 76203.1337 55921.9886 67442.1477 57483.9123 156.8620 149.8655 154.1333 113.3595 102.8416 103.5042 95136.5599 94332.3185 108538.4548 103091.9661 105377.4718 105280.9289 100860.9294 99221.8801 96097.8962 69518.6192 67229.8856 52050.4427 50202.8993 143273.0466 135692.3469 137162.0867 133715.4160 133270.5385 51607.4704 59710.2284 89750.7934 59647.3299 73846.3839 194321.8437 182408.3804 166842.6604 105876.1217 163076.9061 86615.4144 59188.6851 103462.5706 64407.6822 62149.8500 253428.3305 172184.1919 96390.2265 177974.5954 172951.4286 73267.0767 63489.2754 67830.3453 58123.3641 68801.7094 116343.4967 126852.1637 109612.3542 134671.5554 138153.9570 49568.6155 59918.2869 68941.4046 49056.4493 40282.0027 PE(O-40:3)>PE(O-18:0/22:3)_feature1 PE O-18:0/22:3 69630.7753 94921.7621 84567.9648 83541.7236 77315.7361 47438.0156 40167.4995 42094.7688 46068.4385 44501.0473 149.8382 139.0676 139.7504 174.3952 146.8915 152.9310 58535.0268 59845.4967 60676.5582 57970.7292 57256.1784 59428.1194 60890.5585 58117.7748 59366.1834 52375.2907 60097.4088 52620.7123 56706.2778 59419.4208 64917.4772 61112.3961 58875.8908 62273.9811 39287.4909 35640.3588 56030.8444 43619.9612 50220.2146 58669.6808 76178.1125 58822.6509 52818.4008 68132.6605 45977.1258 45263.4115 48632.1124 51182.1785 41704.7228 82916.4232 74030.7459 58345.1339 74916.7943 80858.5727 39023.4797 34816.9267 37531.8023 46889.5522 51277.7994 65086.7197 56122.8131 77914.5565 85119.0834 79395.3043 38694.9589 52070.7808 33838.1706 42775.6076 44994.1355 PE(O-40:4)>PE(O-18:0/22:4)_feature1 PE O-18:0/22:4 43991.4445 49808.6143 41567.0194 43711.9259 79508.4145 124022.6021 68512.4577 21645.6335 54779.6474 32482.6394 145.2446 134.3665 144.9352 149.3937 126.6656 141.6511 41297.5293 44954.6731 43548.5973 42456.1171 41680.6491 41674.0964 42542.9217 42341.1720 44354.3147 27046.6609 26961.8474 28627.1992 27953.2787 30659.7805 36839.2905 38067.7492 43742.9260 28664.2785 16581.6884 19145.3337 26045.4035 20936.8720 23727.4555 31964.6870 62189.8251 43853.5145 42875.0913 44223.4380 62234.2006 37463.6477 42721.4962 26256.7646 20565.6610 44544.4786 70560.8765 23768.5343 29244.7701 51295.4004 22977.0583 38365.4639 41300.4591 39295.9660 77939.4014 27892.5452 28601.5363 35985.3843 38170.2796 63707.3628 35785.5209 62351.0529 142302.1346 25492.1682 22516.8728 PE(O-40:4)>PE(O-20:0/20:4)_feature2 PE O-20:0/20:4 68124.8949 82843.3342 75311.5237 79736.6896 62470.0563 37812.1896 30566.7290 28371.5018 36601.2287 32869.3204 155.7530 138.7310 140.9707 140.5025 123.3248 127.3765 46886.6136 51557.6237 51002.4546 48182.9398 49151.5546 47536.3474 49885.8099 47927.1876 50732.7047 49289.1252 53902.7268 43301.3023 42071.1876 66100.4239 63064.6084 52878.8722 57665.6866 59173.5391 29461.2991 28307.7165 41583.2978 32066.0671 37209.3829 65468.3880 68697.8204 61768.3424 50143.5888 63637.2095 38533.9591 35969.0373 40189.2500 37672.7401 29667.4008 87792.4650 67278.5826 50336.9370 74162.3299 69200.1569 29682.2713 28118.0909 26725.8711 30862.8056 35363.4171 47727.1987 50888.4670 66674.8484 73448.6753 67759.4022 28128.3856 35195.0618 35913.8175 29368.9618 32079.4944 PE(O-40:5)>PE(O-18:1/22:4)_feature3 PE O-18:1/22:4 91548.0989 104381.4339 72408.4780 87905.3072 159610.1907 244308.6112 134212.3184 35921.3370 104461.3629 60714.3377 163.4410 147.8611 158.8565 161.1747 148.8683 138.8710 76836.9554 83532.9251 88883.9194 81693.5712 85983.2544 88567.8491 79829.7210 86229.0601 77520.7878 52176.9426 43898.3166 46373.1941 49359.2016 57626.6099 68808.4062 85356.7853 90438.5471 57930.2611 29245.0680 30481.3247 39369.0202 33261.1865 38478.2207 58508.9981 122872.5294 95190.2829 86814.0529 92594.2601 105547.6703 67380.0267 88406.2887 48277.5480 38634.7108 80589.0055 134391.1839 42159.9358 58290.8691 95945.6900 41845.2257 67612.8232 79651.4018 72684.3923 141465.1630 55015.6037 59288.0253 65627.4830 71591.2047 142024.3060 74747.0737 123229.7302 320725.7783 48364.3588 45079.8465 PE(O-40:7)>PE(O-18:1/22:6)_and_PE(O-22:7/18:0)_feature6 PE O-40:7 122378.4596 147729.3979 129510.7090 124114.4957 126918.8807 53002.2441 51617.5746 46171.2650 51131.9610 52955.4391 183.9317 176.1337 180.8905 170.7499 174.4233 174.1581 81677.3464 82751.2742 86244.9705 82272.2959 84430.1463 85633.1560 81556.4201 81300.5635 84519.7801 60913.3181 62276.7023 51291.6677 54274.0543 113303.0847 107075.6753 97043.7058 103786.7907 109321.5414 46038.5728 47048.7798 67772.2526 52557.0341 57244.7841 120805.2304 133666.2735 125547.3779 95098.8039 122042.1645 64437.6913 53902.0775 69392.6929 55860.3378 51105.3253 152645.9328 119752.6528 85839.7966 130362.0779 112565.0793 53958.0392 45366.1464 53504.6156 49055.4294 56043.9449 85136.8750 98360.2098 93193.9193 111488.4116 105281.8693 41263.5029 50143.3817 49890.3767 41290.5671 40339.5905 PE(O-42:5)>PE(O-20:1/22:4)_feature1 PE O-20:1/22:4 22139.7784 25291.6677 27207.1897 23930.3843 22975.6756 9187.7229 5002.6703 11487.7541 8909.3717 8797.2863 157.8029 147.5518 157.4324 165.7695 149.6013 152.2729 17658.4542 16741.4876 18504.8465 16942.0143 17634.1826 15617.6136 18595.0769 16604.5285 18086.3384 14516.3244 15385.9757 15252.2401 18397.5565 20360.0070 17616.0209 20434.0300 25051.1430 20394.1073 11261.6427 10342.5558 14817.7521 13979.7193 15687.5553 20413.2816 27708.9598 21829.0988 18981.8646 23494.5920 16128.0006 14488.9716 10112.2594 14865.0043 11086.3206 29786.8777 22619.7987 16470.6594 22368.6075 22791.7802 12623.5600 7225.6860 8570.4071 8501.2273 5419.6643 15834.8087 16865.4002 18894.7796 21178.7568 21532.2914 11269.8691 9261.8291 1754.6279 7735.4589 7921.4853 PI(34:2)>PI(16:0_18:2)_feature1 PI 16:0_18:2 315334.2685 395454.4848 408804.1586 392354.2314 356046.5468 242987.7881 234311.1072 222943.6974 261344.4755 258837.9474 148.8332 150.3182 152.0622 134.1145 141.5816 137.0964 279124.4106 284173.2113 296373.5239 296175.8298 298985.8730 292658.6360 283448.4381 286327.2275 285411.9701 163231.9252 181511.7120 152640.0007 161935.9878 254916.8048 338045.8782 231243.3058 275836.9712 261637.2516 256578.0213 218181.5258 289271.7509 264863.5781 275855.3258 227921.0485 320800.5663 259009.0683 207067.6484 264414.5252 239027.9078 249183.7328 292761.2324 265036.5596 249701.0866 397738.0817 331093.6869 273607.4675 389327.5298 387755.1500 301129.4035 300523.7549 231138.6917 254876.0733 280457.9871 341969.9716 283370.8955 420751.2782 416228.4395 368997.5699 240866.2785 333553.8385 269528.0477 298248.4547 272089.6878 PI(36:2)>PI(18:0_18:2)_feature2 PI 18:0_18:2 1485272.3870 1760179.4530 2892463.5830 1671789.3610 1599137.9090 650251.1397 633119.1727 526584.0895 701470.4160 637852.2229 141.7831 135.8568 140.1320 119.6219 108.7019 107.2035 915052.1421 950435.7380 1074320.0120 995997.7844 988796.0843 987402.6747 981015.5932 985905.6633 943442.4485 424228.2534 435997.6181 360767.0975 374102.5892 1120506.4370 1097503.8760 1031184.4840 1086661.3240 1200779.4130 510196.9733 486276.7585 832060.5600 595714.8008 692888.5697 1151828.1630 1600139.3720 1268991.1380 1010727.6640 1213090.0570 661720.2349 604518.4394 859581.4815 696304.4902 558785.2714 2461648.4400 1613373.3510 891423.3365 1683065.6810 1549978.6460 604221.6698 657177.5894 521886.3532 552181.6728 650605.4457 1427715.9360 1417594.9360 1090914.9000 1880815.7750 1940260.1810 597064.1643 861667.6883 712991.2380 702856.6187 589423.9171 PI(36:3)>PI(18:1_18:2)_feature1 PI 18:1_18:2 57397.4832 68479.8391 61776.6539 98113.2817 52710.5398 34745.1251 26672.8331 25282.2239 34920.6390 36966.7996 168.7811 164.5753 172.3471 149.1907 151.4586 135.8035 42152.6424 41557.0051 43888.6936 43332.0155 43103.1420 42292.0680 42488.1039 42985.8228 42076.6382 43688.9443 44186.5291 38839.3935 40908.6848 43608.1108 51981.2675 21570.7488 41909.6141 37893.9291 33644.8537 16395.2109 48570.2696 37912.1572 42779.6238 28760.2331 55303.6861 30971.9253 27037.6820 41496.6625 26221.0820 42442.5048 27384.1125 42105.6206 28363.1641 64969.0233 51674.0269 43809.0498 68498.3654 65791.4413 35797.7216 36518.8063 14712.7385 36007.7024 37543.8096 34875.0097 34467.8461 87410.6715 78364.8308 59716.4636 28528.3583 38016.6778 27207.6645 42186.4898 41654.0258 PI(36:4)>PI(16:0_20:4)_feature1 PI 16:0_20:4 865006.2892 1027980.8660 1151584.1590 1077251.4140 1041560.6100 868430.7078 871823.6926 872311.4931 919944.7840 885622.9354 149.6302 142.1827 151.2480 137.9197 129.8161 126.8933 858609.8869 878836.3041 899814.2606 869181.0918 878004.6064 860872.0606 881046.2511 865080.8914 882816.6055 600233.9383 640248.9624 569677.9005 651259.5254 725064.7854 965106.0612 806181.5482 776590.6973 700312.0873 899687.3182 722140.6832 897470.2344 867258.3929 988534.7046 705382.1646 849826.4116 703655.7146 516928.5858 724170.8529 824043.6226 820313.6458 1021677.4400 930108.6708 905415.1624 882374.2880 879782.2371 783410.2926 953081.4258 1089063.8910 963978.8244 870640.5914 833795.7944 884875.3034 992173.8938 961658.7025 675242.6574 1111797.0640 988660.0846 885635.8682 770411.1227 1108129.0450 963132.1027 936757.2590 790903.9027 PI(38:3)>PI(18:0_20:3)_feature2 PI 18:0_20:3 148741.7270 162000.0950 240001.2556 154908.9990 139697.8057 144391.8186 159097.8495 149763.1715 159396.0803 167390.0874 177.3625 184.1803 176.8516 183.6269 169.7843 162.6885 142002.0746 147972.5563 153198.3758 144238.2399 145466.9504 148691.9243 148498.9263 142884.2954 147189.9740 83801.2495 121357.6179 105466.9977 132853.6158 86920.3235 75008.8927 121204.0251 92145.4588 107070.8826 130775.6158 104382.6039 130988.1812 142411.4511 170569.2154 96406.8472 115069.9333 82357.0802 84582.7784 91471.8592 125343.4650 119933.9331 178707.9228 146934.0917 128823.2625 125191.4854 171434.9445 132479.5846 148762.3599 179192.2536 134423.6829 144454.0026 159745.0419 175277.3500 170876.4529 266397.8140 135435.4892 267599.8727 183399.8217 175500.3960 161507.3153 222875.7269 191282.5139 201408.9335 173913.7872 PI(38:4)>PI(18:0_20:4)_feature3 PI 18:0_20:4 8776684.1600 8636965.5390 7862206.7950 6924507.5150 7180944.4930 5101527.7740 5794787.4950 4880763.5710 5253775.1190 5087580.0310 315.5005 284.0634 278.3478 284.0911 269.1899 283.3572 6244899.7430 6678625.6870 6689261.0480 6561814.5130 6592065.7450 6424324.0750 6518151.4970 6441189.4470 6575037.9940 5019402.7850 5164091.3970 4511371.0430 4716426.3870 7758746.5450 8108058.7660 7857899.2450 8114349.4770 7024490.1760 4936676.1680 4783907.9440 5796804.2840 5140603.3740 6297950.7100 8255984.6900 6687986.1670 8258775.0040 5998429.3060 6893322.5690 5848349.0700 4932314.9610 6979854.9910 5367821.8460 5107283.2810 6810545.5820 7376192.6570 6241542.6120 7170415.3390 7956638.4270 5181190.4290 4197313.2100 5194615.5950 5106456.2270 5457659.7020 7425110.4090 6941754.4000 7302360.5820 7035813.0050 6253119.2520 4524914.0680 4952981.8140 4880470.2280 4596459.7430 3677193.9890 PI(38:5)>PI(18:1_20:4)_feature1 PI 18:1_20:4 255708.6348 204476.9149 263867.7830 222890.3352 215014.0388 166167.8075 194415.6087 161915.7293 209362.0516 194562.0382 184.9880 171.0520 164.8787 144.4471 150.8641 147.3137 173161.1564 171823.5654 182446.8570 203983.6229 209982.8552 189625.9062 201852.1728 186387.3784 154331.4579 187674.3585 180658.3203 160357.8876 160881.5976 131928.7618 164011.7572 134156.0376 162556.3113 126062.2915 183094.1763 119481.6983 193885.5518 157805.7339 212825.2846 127682.0747 151866.9750 125253.3444 100109.6744 152755.1465 142903.3447 163435.4510 220767.3344 192266.9346 151151.5755 226740.3676 197515.3113 136929.1124 192077.9368 210851.0888 195641.7615 194955.3221 161477.0865 167480.3163 205025.1282 181378.9683 151039.9396 278417.4879 229920.3539 216667.6634 135223.7208 231773.7209 189493.2129 206206.8824 160399.6189 PI(38:6)>PI(16:0_22:6)_feature1 PI 16:0_22:6 45332.3369 44745.2495 68664.4639 49135.8926 50174.7244 45754.8256 43934.5922 47325.1552 48674.2980 45944.8925 130.9834 127.9596 132.9561 119.2503 118.2206 118.7631 40843.0306 41393.5468 43335.3487 44116.5558 43256.5929 41539.1892 42099.6540 43298.9424 40669.1811 25888.6396 27261.7085 27305.5402 29745.1507 28828.0358 41313.8656 27532.9942 35430.8361 27514.9986 46868.6404 37646.8743 44142.1027 46893.2885 52339.6875 23464.9246 34658.8783 32467.7324 26835.6522 25406.7105 41294.3975 44021.3418 55354.0642 45678.1997 45950.9827 53063.9338 41635.5629 33581.3816 47393.1756 47903.2885 55162.9335 49934.7863 44227.4285 47434.5515 52460.1046 39858.0880 30709.2343 49486.2404 50164.1028 42920.9463 29547.8819 49659.6909 36870.5919 48250.2549 34517.0943 PI(40:5)>PI(18:0_22:5)_feature1 PI 18:0_22:5 112607.8295 65787.8177 273842.1163 73294.8297 44698.8804 78465.2251 96124.4470 101686.8037 91781.9816 96043.9906 187.1595 175.3060 172.8783 177.0068 169.6706 181.5886 74240.2222 76598.6712 78526.4572 86894.1724 89257.0120 74584.5174 77873.7440 77992.3858 76382.6989 57191.1508 64018.0533 54953.0578 56341.8053 54524.4807 57961.7891 73884.6719 65188.8030 68276.5463 91948.9071 54975.9223 73258.8879 76024.1607 96590.6737 68244.8123 34677.0967 64284.1715 56842.5305 55568.5128 75876.5305 66065.6897 102077.3997 78687.0191 83837.9004 89517.4615 90482.6113 63766.2718 86168.3405 78627.1079 74050.9428 81308.6390 88860.3948 83255.9035 89524.2311 86608.2172 86943.8145 90650.3924 87152.7543 75267.0749 54355.8680 74564.6795 72225.5184 66390.9164 53735.3326 PI(40:6)>PI(18:0_22:6)_feature2 PI 18:0_22:6 111637.0394 101796.8029 160552.7582 74783.0635 109669.3308 98639.8030 106133.2261 114712.6426 118577.5474 104885.3643 146.5510 135.6711 139.9906 160.0766 134.0469 133.0377 87882.6635 94116.1742 94523.1316 95545.1955 89829.3026 93655.0678 93639.7090 94630.2014 88137.9054 53374.1918 55444.3721 53321.6998 55549.3846 70745.5860 62749.5377 70316.9441 83310.3321 80537.2152 101520.8843 86150.0336 101179.7028 99222.8720 122245.6914 73981.1938 90292.3347 95153.9610 93830.0272 66447.4752 102614.9902 77686.3441 133849.9015 96329.8404 93946.9150 114818.8433 109258.9602 72728.5981 93685.0223 79943.9760 93604.7799 85137.6893 113943.0668 98935.4568 97578.2689 98433.5718 120180.2021 98933.6588 108667.1867 105724.8385 68510.2991 87372.7964 76236.2106 73018.4177 60829.2349 PS(38:4)>PS(18:0_20:4)_feature2 PS 18:0_20:4 90915.5492 126152.1313 58592.0305 116884.5449 341545.1756 566167.5283 297993.9897 20772.0203 204618.2281 83604.2830 173.6520 166.4971 171.8426 151.6568 137.0085 142.7386 112126.4419 111411.6350 126432.8651 116912.9744 116362.7566 114889.7661 117414.4609 114526.5547 115214.6206 23185.3360 22512.5651 33992.4848 34297.4881 27019.0676 61813.2175 97548.8108 109718.5398 19598.3365 12331.1049 8342.7264 11398.2980 14147.9399 15273.3000 20404.9783 206255.4886 113143.5676 108229.4078 108877.2445 198476.5193 87877.7175 149078.4536 50313.4704 22751.3349 44146.5543 296084.8910 12385.8857 19602.6272 165664.0702 53591.5363 148307.9349 157999.4426 129685.9658 299613.1357 48084.5641 45172.3176 58967.9360 48541.2364 268252.1695 125876.7300 217510.8931 695718.1346 51171.3862 54872.5699 PS(O-40:7)>PS(O-20:3/20:4)_feature2 PS O-20:3/20:4 29533.6852 38007.6359 26134.7267 33477.0604 58525.7617 94428.7221 55250.3665 12032.6785 38807.8550 24015.7050 200.9581 178.7877 194.8577 174.5922 160.4115 165.7363 30262.9310 30683.1973 31459.5636 31284.3521 30846.6016 33921.3879 30404.0935 29963.2772 30662.1698 16623.7645 17842.2303 16467.0975 18203.3454 22260.6748 25997.0533 29338.1150 31917.7677 22287.6386 10494.3298 10242.3797 14592.2242 12464.7625 13626.2982 22914.0567 43696.6349 36208.3237 30732.5134 33972.1862 39732.4622 25001.5622 32892.0401 18145.0717 14008.9158 29256.2752 50123.1883 16898.3393 23750.8164 35969.9209 17057.6992 30516.9005 35924.5768 30593.6242 53355.3531 22645.9545 23645.7730 26068.0770 25504.6013 50478.4441 28329.6126 40319.4360 99586.6816 16831.1840 18053.0242 SM(d34:0)_M+H2CO2_feature1 SM 34:0;O2 28936.4096 31954.5816 31831.1819 22331.1742 31142.1553 66795.2685 67522.1738 68350.5397 53725.7447 57892.6276 184.5646 183.1372 184.6828 177.5998 172.0666 166.8441 45088.2208 44827.9577 43364.6604 44816.5407 45301.3268 46103.8297 46333.5618 41745.5261 45367.9367 44058.4411 47880.3653 33474.3718 31871.1443 29799.8128 29308.6533 32683.0564 28106.9161 31074.1386 63213.3129 77848.1604 74038.7049 68753.6837 75077.2383 40040.2485 35935.4624 35384.4558 27387.5115 35165.3542 97810.9524 63415.2764 79162.7574 60144.0819 71909.2643 31676.6435 32255.1714 19061.2992 23095.0290 26027.5299 58008.9948 60850.0565 85963.2065 55673.3768 54788.8886 17493.9349 26470.6444 18922.4138 23514.3451 25426.2387 82811.1522 57334.9442 74339.2588 55072.8032 58278.7786 SM(d34:1)_M+H2CO2_feature1 SM 34:1;O2 1680685.9640 2055749.4870 1922918.0640 1523838.8970 1748567.4540 2105006.8010 2737069.4890 1942503.9760 2069758.6620 1836627.7870 175.0834 168.7123 168.6404 231.0686 167.1862 164.3720 1937402.8570 1973789.7430 1898480.9850 1898298.3310 1907825.2060 1905775.6220 1921022.0790 1915672.6380 1976983.7240 2217210.2920 2404349.1400 1759796.1860 1960228.8310 1776419.8670 1656457.5760 1779713.0990 1536899.5180 1651297.0590 1954614.1350 2088571.6730 2377097.2320 2093650.1600 2174326.6070 1897376.4340 1992953.7430 1931476.3970 1469256.1500 1948127.7700 2633192.8540 2104785.4040 2725070.5790 2025904.4540 2261534.4920 1925371.7500 1660238.2360 1181728.5820 1632897.1660 1731201.4500 2197117.1300 2058340.9270 2515419.8090 1930269.8270 2093714.6880 1165420.6550 1596916.2570 1327142.4930 1472666.1040 1581364.6430 2273288.1310 2363843.4710 2394480.8320 2136838.6200 1920729.9010 SM(d34:2)_M+H2CO2_feature1 SM 34:2;O2 288834.0898 362766.3200 370320.9475 277505.3913 297290.4127 207761.9223 241329.3566 199097.0238 228517.9006 204908.9143 153.2209 149.7968 145.2789 150.7806 147.6250 134.3986 241529.8687 250045.1364 248588.6024 246957.1525 254577.9368 244344.2502 249064.1434 245268.1253 245502.9689 267987.2006 296478.7891 207775.7487 226773.1770 286344.2024 275990.7117 257855.7471 237154.1265 243947.6997 212375.0606 206603.5551 272985.6381 225143.4566 253868.5794 288145.1339 293450.0414 270696.1373 195569.4442 284519.4477 279474.6870 220465.1015 289673.3904 230731.3788 220253.6552 318972.5096 273385.4552 189028.9863 274349.2056 276190.2738 228115.2217 220820.4864 261234.3547 213067.7662 223249.1264 186185.2778 252948.2571 231505.6565 250789.2267 252290.5375 213042.5507 220676.3158 225252.4759 223549.4367 190827.5231 SM(d36:1)_M+H2CO2_feature1 SM 36:1;O2 416800.7575 693440.0473 451134.4750 336299.1333 378573.3176 182176.4668 146595.9897 155340.9372 149502.5790 125265.7921 198.7731 200.6816 196.4048 195.9069 180.8695 182.7901 310375.3625 314719.4572 325886.3301 315265.0179 320449.8399 324987.6563 318500.9051 311387.3086 313275.8509 174266.2728 185489.2409 97978.6061 103782.6859 467929.7395 530598.0819 455196.3115 393673.3109 403138.9531 146873.8043 183369.2363 186831.3779 165468.2233 208483.2538 586476.1215 513465.9037 597887.2139 384602.2043 535180.9482 273747.9425 162007.4558 268851.9356 121036.0423 199741.6318 492250.5176 425637.1640 341005.1496 446478.5708 439258.9154 142957.2052 124844.8164 218966.7803 112143.3541 116018.0213 406949.2214 368596.1522 274864.3421 342492.1941 380975.5267 193800.8206 123890.1357 199715.3347 109325.1806 107432.9220 SM(d36:2)_M+H2CO2_feature1 SM 36:2;O2 98871.6039 171892.5215 116884.6027 92434.4556 101592.0257 40257.6321 42840.5829 28975.4038 36539.6712 39091.7076 221.6394 206.5536 196.2715 210.2146 219.7967 196.7629 70130.9358 71783.9652 72214.3166 72975.5445 73737.9015 68908.3033 74339.5443 69845.4176 71389.9383 48986.5462 48707.5451 36375.0670 39737.8844 113248.8119 131953.7034 107696.1239 92699.4663 93639.6103 35364.4480 43504.4763 42249.9420 37449.0733 43530.4967 141214.1970 113886.7086 129225.9626 87079.4674 125777.9021 53989.4404 35524.6529 53769.2709 39029.8288 39797.0486 106797.5504 97837.0371 82136.1836 104155.8193 99615.6620 34905.8634 29777.4834 52043.9693 34370.6585 39681.4434 93657.7799 90254.8310 65007.9670 87047.4500 90706.9268 43588.7025 35098.3305 38685.2740 35774.0330 31648.4798 SM(d38:1)_M+H2CO2_feature2 SM 38:1;O2 166380.8061 248820.0775 203278.4094 151477.1632 170712.2438 65301.3352 90912.3733 70722.8249 76137.5415 72212.8015 251.1975 204.4063 209.6962 230.6575 200.3138 207.7352 121453.4302 124998.4228 128025.2959 127387.4823 127911.5231 132407.7669 125374.1283 128896.5367 117646.4248 70814.0218 77611.4221 59759.4898 62873.9958 171357.7883 191650.0982 179854.4494 142501.8726 155419.3181 59545.4381 73113.7494 88217.3017 50466.3151 83798.9856 210279.8787 205265.7073 206247.4678 137721.4222 196949.1161 109237.6256 69301.6553 106152.2324 77452.5173 82313.2864 197718.0955 175622.0689 132550.5415 179271.0033 172031.6014 61987.1031 64842.2453 90175.2373 65737.0646 77496.7622 166868.0124 133481.4406 119355.2082 144680.2384 145490.7634 81034.6198 80565.8368 99056.6904 50370.4330 66277.3511 SM(d40:0-OH)_M+H2CO2_feature1 SM 40:0;O3 101934.9502 122410.9494 109004.6581 111373.8763 117498.5779 81678.3434 96847.7451 86576.4716 83941.3017 82225.3627 281.1368 267.1049 273.0637 315.6308 255.4148 272.1045 97281.7532 99889.7100 106922.0662 105851.1411 105014.6997 106369.4625 81857.1822 109182.6681 104585.5009 79573.6763 77825.9068 75104.1952 73995.2576 114668.0982 121533.9593 118031.6354 95347.0962 94754.2027 81683.9848 82884.0177 67780.1262 82272.1267 89061.7152 127285.3743 119095.6147 127186.9095 116615.1092 118957.5996 90194.5374 83940.2644 98825.2157 85579.1798 82646.7728 125056.2449 127394.4687 108198.7494 116866.3967 116370.7499 83412.2646 80597.6262 92516.4217 79402.6874 88661.0921 116071.5142 106372.0345 93367.9829 119860.1179 106384.6576 87399.0150 86592.5908 95843.4854 88551.1808 77354.5932 SM(d40:1)_M+H2CO2_feature1 SM 40:1;O2 1212286.7780 1553852.9240 1418827.1940 1170163.9870 1282415.0590 731810.0767 765958.5598 661981.2534 720160.4274 651703.7137 181.4102 168.1923 165.7741 196.0442 164.9503 171.5491 990340.1701 984940.7092 1022311.0030 987432.1533 976329.1091 979168.3559 1003286.0300 978142.6774 1009268.3600 696747.2050 718419.8055 607102.3265 611644.6972 1216173.9630 1210626.0380 1262508.6250 1136813.2610 1193786.9060 598834.8926 654374.3815 767844.0775 664701.4038 710668.2371 1363671.5070 1387689.0040 1345015.2150 1036636.3630 1312611.1410 853753.5465 644075.8939 900862.3568 700135.1081 723167.0054 1354743.6430 1338689.7450 1031395.5270 1301654.3170 1293944.7760 654735.8934 664461.2341 753966.8082 652251.1148 723062.2731 1222361.8060 1114885.0180 1017704.6680 1189202.3670 1084131.6770 722263.6483 788994.0059 859133.1772 674057.1697 611433.4774 SM(d40:2)_M+H2CO2_feature1 SM 40:2;O2 348387.5846 468614.7752 499028.8548 361159.1956 342908.6135 159895.4113 193905.5228 158021.1201 146258.9200 181484.7945 236.6856 241.4938 227.7778 223.2419 224.2704 213.1279 267036.5114 288596.3086 295499.2931 296791.1083 282812.2358 292428.6310 288567.5350 271736.2615 284914.3124 205689.1859 204655.2510 151542.8306 157187.1698 374720.5800 403181.4162 389001.7010 301534.9227 366651.8278 156386.5027 181959.6723 245738.7821 191250.2775 261870.4753 417013.4563 387967.4427 473352.7261 306107.6549 376176.8561 239781.4827 237922.1498 244389.5726 227644.4560 212417.3476 491678.3737 383436.7151 274040.2238 391842.3243 400490.8745 157418.9917 151679.2118 222811.6358 165591.7041 183760.0390 366265.4150 330577.6297 322694.9038 366260.9190 316847.7760 180722.2775 180044.5003 193616.8034 166035.1812 136548.7302 SM(d40:2)_M+H2CO2_feature2 SM 40:2;O2 308987.2835 413066.1258 468818.5108 346647.1727 372389.4237 97764.0311 115669.2927 100312.3768 124611.7208 106705.9977 230.2755 199.5436 230.5193 239.7754 193.7888 211.3959 207046.3232 223073.3919 219748.2259 216045.3694 217188.4758 228057.3119 212686.3625 215410.9362 213720.5733 140248.5828 139458.2344 102454.2835 110579.8162 289332.1462 334424.5957 307169.8428 280266.2002 276355.4693 87175.0856 99804.8639 121141.7425 101637.3147 109800.7414 351324.1453 324620.7808 307868.6860 217538.3843 322094.8839 132218.0859 95256.3758 130702.7166 116122.1705 100714.6493 365324.8409 341831.0566 259165.2424 327663.3162 350630.6026 111659.5028 111992.0536 123015.4613 95620.6833 109359.4209 332091.7489 281120.8342 319367.3249 319328.6639 321705.2618 107471.8263 129395.5062 132622.9982 116291.5173 100284.3882 SM(d41:2)_M+H2CO2_feature1 SM 41:2;O2 394300.5414 490993.3863 509753.0215 400040.7862 416787.2622 121645.3996 143334.6514 128470.6409 146265.5472 130400.3275 176.9053 187.2694 176.7097 188.3130 172.6447 178.7211 271414.2441 281032.7119 281228.1119 281314.4419 271958.1198 269014.9953 274607.8203 274695.6425 284501.1197 173305.6197 171375.0375 133459.3710 137567.1975 395722.0212 410896.7441 397712.8055 358447.9713 324863.1822 117461.8796 119645.0564 153946.0259 127839.4964 130919.7054 392278.7397 427419.0913 376293.8426 287316.8211 401803.7860 157301.3619 124167.8637 155553.1228 145007.6887 125813.6477 426033.3617 432582.0837 335991.3921 410960.9290 418202.5978 152131.0446 149293.0957 156588.1750 123085.4243 144861.7067 443932.9507 378722.6065 385429.4398 443951.6163 403337.3946 152753.1149 183645.4446 155007.7039 149312.4283 138404.2419 SM(d42:1)_M+H2CO2_feature1 SM 42:1;O2 3062115.9600 3368225.7530 3239348.9260 2803673.6780 3169536.5530 1616669.9480 1894127.1260 1605730.7480 1690519.8040 1699000.6990 220.4201 209.2185 213.6818 212.6767 186.6657 199.3655 2317207.8180 2421856.3180 2449703.1300 2432250.5270 2474119.3100 2357669.1080 2373342.2490 2354201.9880 2437525.6040 1847034.4840 1753495.8720 1584988.6480 1436893.7160 2898869.6550 3004451.5780 3094099.2900 2641479.4950 2735099.4740 1568494.6420 1671089.9070 1619905.8980 1669743.3240 1853858.8710 3523741.4440 3157240.5310 3146794.8320 2550150.5060 3089820.0380 1935207.5520 1678671.7620 1827631.8170 1824652.4070 1717587.2370 2938036.8500 3198596.3660 2526282.3770 3016378.5460 2829361.5520 1623422.3860 1560211.6990 1686754.5640 1482294.6440 1749677.3130 2767164.8870 1617550.2900 2905809.1570 2055478.6670 2616382.8260 1675043.3280 1854197.9210 1934733.6670 1673603.7750 1451358.9820 SM(d42:2)_M+H2CO2_feature1 SM 42:2;O2 1014311.3280 1109467.9860 1225232.7300 1112523.7670 734242.4148 18744.6256 324302.9373 403100.6355 22865.5756 291783.7941 207.7002 187.5599 201.4789 176.1572 166.5468 185.0778 776802.9277 525006.2837 834216.8956 776182.0656 744996.2552 721645.6400 715317.2180 691699.2575 721027.4364 540171.7030 356695.6844 433580.0685 433767.4351 1010107.4860 1052035.0360 1005764.4220 873263.1008 930020.7501 378349.4483 281203.9313 481718.3353 388756.2886 440584.0585 1168018.6350 1016911.4440 975095.1819 881240.3876 975323.8796 504301.6633 422997.3247 528171.9475 321276.0770 270913.5803 1138710.4280 1064413.0970 813350.2957 690336.8930 704010.2722 303507.5331 23326.7642 486857.4234 252709.1715 476461.2778 1034749.6920 632191.8602 1002102.8910 1120282.3300 1006027.7040 412572.1414 470217.1167 359846.6486 301787.1893 239466.7148 SM(d42:3)_M+H2CO2_feature1 SM 42:3;O2 1145760.8010 1239978.6590 1258401.1450 1055118.5770 1164938.6940 554446.8824 535195.9025 448972.5155 503281.0806 423668.5121 279.1581 235.6239 273.3083 271.8262 241.1558 240.3916 736546.7069 761168.8515 789838.6903 766809.3849 770254.1740 772567.6494 747967.7115 761039.4438 758097.9204 489364.6028 506089.4948 411015.0773 421986.3507 1004435.1980 984716.7519 1002065.2110 875465.5094 985352.8536 377581.1011 431041.7959 516621.3573 432373.4684 445431.0106 1129958.3620 1109254.0270 1096089.5430 825506.8771 1084266.8220 617147.8425 427544.5381 579644.9549 453236.5824 511467.4560 1277176.7380 1087331.2010 752042.5374 966812.0240 999014.2001 465292.3907 497068.1872 531527.7639 447836.1731 523453.2761 966990.3194 897345.0864 825113.0391 975690.4924 944893.7208 496940.5159 579094.0943 634829.8529 480772.6320 403971.3976 SM(d43:2)_M+H2CO2_feature1 SM 43:2;O2 111437.7608 79722.7046 104914.2381 78126.1965 81522.9314 48013.2620 55293.6675 53673.3761 58723.6948 65011.2976 233.8638 219.3560 236.4439 253.4910 228.8755 233.0732 76781.8798 79818.0063 64815.0443 63700.3671 81438.2885 80180.3358 72093.4465 75813.8512 71388.5575 72259.6192 81514.4811 58168.9158 64693.0006 78112.8831 78699.0073 83906.5424 73007.7226 104485.1154 50064.7319 53487.2806 61431.4290 56124.0057 59510.9011 101965.1875 86141.9753 102520.1135 78015.3322 91102.0083 69483.1029 52206.4640 61817.6288 63558.0959 56514.3177 105230.0679 84794.8427 65727.0867 95939.9575 118494.8661 50065.1990 57596.3664 65133.2861 48015.9941 49402.8879 81696.8749 76709.6524 75027.9520 93154.7452 82814.8734 57155.8286 50217.0670 53279.9533 52406.3254 52695.9228 SM(d44:2)_M+H2CO2_feature1 SM 44:2;O2 84066.8006 105243.1359 91835.3438 82474.0365 64619.6706 34614.7103 49865.9554 36716.5508 40494.7797 39005.0293 189.5437 166.2389 183.0697 201.4312 156.2383 167.7410 53264.6374 69171.7251 69858.2833 59564.7888 64636.2524 66515.6473 63228.2686 61810.2263 60963.6119 52738.5399 48757.6162 40685.1023 39260.8473 93884.1470 103233.4433 82828.7818 75709.0859 78761.4439 34124.3712 36661.3982 48219.0933 36324.8585 42494.7114 104634.7342 83388.7749 100192.6210 80717.5504 86191.6667 42347.9083 45328.8529 51281.0257 44439.4456 40773.7384 121307.6086 86224.2027 64527.1729 99381.4862 89418.0943 36382.1242 34769.5889 43979.9113 31446.8310 43304.3462 73417.2609 81138.5787 87876.9633 99611.7152 73214.1106 38754.5961 35830.0583 43493.6664 33355.1620 27756.5840 sphingosine-1P (C18)_feature1 Sphingosine 1-phosphate 135943.3011 141691.3426 153428.7108 120517.2108 173088.0099 208726.3384 144039.7302 92725.8058 111458.6887 99921.5738 152.4904 156.9676 167.2607 175.0392 172.1488 151.8898 129389.3188 130416.2316 126982.3909 128587.5150 132229.3915 133008.9864 131896.7939 129401.1143 125648.2732 125876.7816 132307.5631 108921.1632 114339.3794 119248.7989 111632.5977 138662.2763 127606.1044 145275.3870 92563.8241 83465.1963 105252.9766 91474.3051 107149.4685 136686.1243 148599.8810 123164.2249 99112.0805 124250.4919 137728.4914 110083.5003 136209.4252 93028.6185 110936.3287 111596.5794 165001.5182 93117.6254 123117.2142 160640.5811 95220.6322 122602.4519 129909.1792 113349.3962 162650.6262 106433.0738 142292.5950 105518.3564 131815.9359 159242.5553 108071.9142 134444.8834 244475.5391 95116.2980 86046.8123