Metabolite_name RefMet_name 90245016607 90248016607 90252016607 90265016607 90266016607 90217016607 90229016607 90232016607 90237016607 90239016607 SampleBlank01 SampleBlank02 SampleBlank03 SampleBlank04 SampleBlank05 SampleBlank06 QC01 QC02 QC03 QC04 QC05 QC06 QC07 QC08 QC09 IPE_Reference_Lung IPE_Reference_Lung02 SED_Reference_Lung SED_Reference_Lung02 90559016607 90560016607 90564016607 90567016607 90571016607 90421016607 90422016607 90423016607 90426016607 90430016607 90576016607 90578016607 90581016607 90585016607 90587016607 90439016607 90441016607 90444016607 90449016607 90450016607 90406016607 90410016607 90412016607 90416016607 90420016607 90280016607 90281016607 90283016607 90289016607 90292016607 90251016607 90254016607 90258016607 90259016607 90267016607 90218016607 90222016607 90223016607 90225016607 90227016607 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 600831.7368 672603.3792 869888.7100 612484.8621 487101.1898 1011466.5570 488847.2921 672045.0454 543871.7516 685984.5575 153.8016 150.5805 155.7578 138.5795 139.3489 144.7481 673435.5896 647406.9206 613473.3182 629693.7872 648777.0781 664490.3693 635922.7695 633632.3682 663723.1381 571988.7309 563328.5916 510321.4164 485296.6389 712229.0879 847900.6401 506811.6414 676806.7774 613305.4267 589002.3860 815801.1381 595491.4164 617759.7457 532052.2533 517203.2767 541223.8297 798337.8535 486357.7947 827869.2180 654285.4428 654991.6990 646645.3533 507612.8439 549508.5913 852914.7692 541866.6846 628165.6689 731052.5710 822776.1555 583864.9287 633369.3348 613718.8340 624975.5331 625143.4184 444740.6013 803373.0081 517325.2174 521024.7866 787576.8069 785087.5925 521884.1180 677289.6996 704115.9652 624903.9887 Cer(d38:1)_M+H2CO2_feature1 Cer 38:1;O2 111136.9026 120259.9059 177289.2213 122599.9650 94417.6643 235019.0820 104220.3482 150533.7762 121434.9899 145794.8239 96.5663 90.2374 103.8863 101.3330 107.5010 116.0525 116984.8492 107563.6898 112130.1079 112138.2835 123846.7134 119775.2818 127106.2106 107379.1362 103288.7796 131192.4809 149153.8404 98587.3694 115862.5283 134637.3212 188045.8897 84090.8341 130537.9102 123293.7643 116944.7795 190034.5152 120870.3431 142031.4467 106946.1589 91999.6687 119965.2296 171479.1069 89247.6555 179570.3775 127247.8906 134892.7580 133353.7605 94448.7391 112070.0495 184814.9784 89382.7597 155842.3843 129149.8121 174964.3867 117892.0044 129791.3390 125340.3387 122746.2773 123876.4702 144863.1016 146680.1389 93792.7556 86598.2146 162140.8483 167409.1230 108388.6062 128811.4432 139034.2177 126475.5617 Cer(d40:1)_M+H2CO2_feature2 Cer 40:1;O2 346968.4976 358356.1767 497853.6094 349933.9481 295403.8297 594828.5427 309341.5337 441498.0175 372483.3718 407676.1724 289.9477 277.5559 304.1481 314.8591 312.9035 386.0575 368439.2050 347601.4049 359841.1841 353970.7582 368922.8128 381278.2347 390351.8592 333357.1384 349079.5733 360230.6425 408972.6822 265638.5590 322094.5115 382446.0779 541707.2608 276089.0572 383907.1846 383770.9621 323098.0892 535173.9099 356679.8622 398900.4052 316851.7692 298591.5830 350225.0997 470647.8566 283014.7264 535858.7311 375748.1374 404906.2777 404603.1808 295268.9457 341450.1557 554635.6294 303218.0312 486346.5892 410184.4287 526498.3294 333187.7471 372270.1143 363833.1684 372687.9869 367705.4696 414548.3652 427840.9644 274154.5676 292877.0020 465844.6673 490820.2881 329798.7476 358652.3516 440228.0706 361775.9708 Cer(d40:2)_M+H2CO2_feature2 Cer 40:2;O2 109878.7122 115150.5309 179718.7186 99339.4023 79682.4732 218303.5933 92310.1648 143964.8637 102175.4538 121582.9602 113.4593 144.2101 110.8433 120.8925 161.6921 173.3752 120590.1249 109806.3809 112439.5090 112887.3719 120884.4281 115762.4378 128316.7994 108284.4690 110554.5357 96504.5364 107112.0316 72765.3766 81023.4046 135244.9200 179105.5586 89133.5960 109734.2262 133137.7282 100940.1865 179980.4617 101888.2539 108748.9573 97458.8193 94756.2219 114541.0732 168790.7113 86169.9106 176193.7052 136857.2041 125286.2554 123339.7428 84799.1841 97670.9426 175668.7606 105960.6800 163798.7924 135001.1565 197518.3137 106802.2299 116628.3790 128782.3040 109734.0050 118149.8102 147711.6314 149147.5011 83870.6970 85071.3191 154956.8305 168311.5666 97401.7378 130953.6368 133143.6745 111326.0352 Cer(d41:1)_M+H2CO2_feature1 Cer 41:1;O2 59543.8017 67923.1142 84074.9136 62439.9843 44051.4602 88843.2350 43966.4280 69329.2397 51625.0939 66142.2633 112.1391 120.6137 109.1357 110.5026 116.3684 112.9384 64827.8883 62249.8953 68750.9463 61323.5710 62530.7769 62345.3966 61601.1629 64707.5586 67002.6488 53852.8676 54188.6851 47833.2299 46789.8991 63890.9558 89411.9725 49972.8877 66910.4744 59790.2968 53650.8575 75035.3921 56304.9640 54499.0724 47362.8494 45802.7276 54790.7496 83615.4326 48446.9098 88566.0087 70468.3356 59682.4877 56679.0229 44378.9075 50387.1790 99119.5143 61104.5827 82977.4269 73311.1396 92971.4441 58011.5549 64542.8872 61477.9811 61444.4702 59275.9538 71603.5553 78514.9395 53522.1267 55382.1370 91822.7246 81852.9373 65550.8843 65967.0851 70994.9446 63204.5989 Cer(d42:0)_M+H2CO2_feature1 Cer 42:0;O2 116891.7882 166727.1364 188082.0863 162848.3684 103203.8015 198899.5929 110685.3091 161548.4005 138700.9475 143858.3067 122.1493 119.4812 122.8026 112.8491 116.7202 125.7224 138683.8760 138467.8118 135898.7753 132347.5821 134081.6143 135744.1720 144890.4785 133380.4170 136563.3363 92024.2273 95686.1899 62872.9420 65487.1255 133601.4606 189373.1037 80607.5172 111656.1085 125526.6017 125828.8910 169813.8493 126567.1298 155359.5379 105956.7874 84451.5881 103322.2056 152222.1016 83819.6367 139612.0683 127299.3153 152734.3916 137856.7975 91844.7987 128567.2668 203309.6563 98446.2178 160909.2531 157939.3949 186729.6325 158679.1810 167501.4275 136972.6695 177309.2346 161349.2647 152877.6256 156042.1371 117911.7666 124446.7697 205138.9953 164249.5174 127715.0658 141198.1300 164948.1800 125482.0683 Cer(d42:0-OH)_M+H2CO2_feature1 Cer 42:0;O3 19909.9874 23740.7948 30046.8350 22001.7014 15728.5704 30755.3934 15421.8718 22803.7615 18524.9068 22025.8531 142.4812 153.1424 138.4728 133.5669 140.5519 136.3077 23480.5642 22952.2775 25349.8915 21880.6399 22152.2227 21397.2029 21174.3807 24963.9543 24642.8757 18233.4430 16608.5662 14616.0852 15176.7808 23510.0861 31218.9858 15986.3194 23495.3255 21360.3074 17744.0342 26839.4400 18253.4906 18515.3446 16046.8116 18052.1337 19440.6248 26069.3078 16975.3354 31641.0617 20616.3308 21227.5288 22040.5012 14405.7723 17051.3674 32797.7579 19682.6885 28138.6670 26050.7612 35405.4677 19343.4523 23286.9441 20520.3691 23048.0639 21773.1867 25135.0199 29346.1415 22327.9002 20364.5753 35111.0489 28311.6737 21761.6620 24228.3857 26187.6374 22005.2194 Cer(d42:1)_M+H2CO2_feature2 Cer 42:1;O2 1065790 1119895.2690 1538338.4070 1108081.7600 804911.7172 1632396.7960 870294.7048 1140868.9560 921288.5010 1036383.6520 331.4039 341.3011 355.5770 361.7792 366.2922 459.5622 1049378.7830 1035781.1580 1041839.6390 1030501.5710 1022978.9750 1064788.3400 1117075.4820 1005189.3650 1013954.8080 801584.5225 897866.9986 701584.8682 741786.1788 1119457.4380 1420185.4780 799980.7247 1159430.0100 1075824.9840 955281.7220 1339040.9190 891285.3803 1097437.9210 835205.0241 848917.2881 958086.4896 1341311.7130 774371.7964 1323506.4150 1076960.7030 1058736.9140 1105368.9370 782089.7727 958639.2001 1518198.5770 932700.0706 1288995.0460 1240024.0860 1454325.5560 1009553.2750 1075698.6080 1006972.8690 1089006.1860 1025582.3260 1171303.6920 1339385.4900 949669.4346 943493.8753 1348071.5850 1194684.6800 936831.9384 1126018.6000 1254149.6740 1004500.7820 Cer(d42:1)_M+H2CO2_feature3 Cer 42:1;O2 37841.9317 48811.8187 59421.8300 46700.5500 30489.9664 68093.7756 35548.8194 53930.6288 41680.1374 42280.6926 107.3018 102.9600 94.2859 94.3884 100.7321 137.8591 42953.5811 42121.8068 37993.2151 40771.2653 41802.8856 41282.9597 41576.6918 40559.5471 42124.5991 34056.5107 32797.0999 22725.8726 22163.5157 37638.8443 58120.1870 23541.4428 38321.1446 43641.9833 38213.9383 53302.5529 44891.7537 46688.1934 31918.2952 29813.7465 33838.5877 46601.0705 26748.2883 44827.9347 42013.2272 47050.9553 41385.6673 26204.6142 32815.7509 61327.7107 31723.3799 48707.9377 43529.9709 55812.3580 45840.8812 56904.9465 40548.7002 49414.9337 47973.3427 50768.7340 47526.5339 38104.8286 35392.9949 64034.9044 55696.2521 42926.5388 46398.3753 61797.3445 43057.4874 Cer(d42:2)_M+H2CO2_feature3 Cer 42:2;O2 602686.5361 563856.0546 758668.2704 507263.5324 443622.4291 940365.7792 526180.9701 624497.1144 513718.2109 657172.3124 271.4568 278.3334 274.6252 380.0869 370.0485 412.1129 540326.5494 446552.7347 483603.7638 500314.2491 581905.5786 555621.6978 566327.4169 461693.2770 438239.7866 507852.8989 650270.7520 404048.7831 553877.0002 560773.0844 794521.5702 407617.5747 653537.6298 623341.7930 487283.3793 736138.5803 508549.9350 564819.5357 426199.2932 448483.9821 490137.1118 819151.7645 401428.5540 731512.3047 544001.4518 548428.3125 623566.5937 412420.3222 516184.7126 900871.1915 430183.1351 713430.0969 663143.1875 780680.2583 520680.1086 620125.3695 538028.7755 542779.4799 505102.9448 652131.1139 348858.6878 438229.8706 473753.0114 753297.2656 822078.2355 576308.5181 291020.1636 739063.0743 612282.4421 Cer(d42:2)_M+H2CO2_feature4 Cer 42:2;O2 232934.3438 258865.6231 321986.4397 147056.5334 111038.9827 349113.7190 175225.1789 251807.5866 137105.2349 248543.7502 125.6111 120.6350 110.5693 117.6334 134.9087 140.1699 229350.1967 222980.3604 228774.3462 219963.2389 225735.6783 231030.0885 228960.6288 214454.4774 232830.7054 176384.5332 175125.2268 143505.6037 100471.7104 160579.3678 299983.9317 119541.2553 152740.0219 238442.2553 205472.6275 316417.9675 149832.9048 144492.9071 202443.1003 191487.0339 206274.7765 204808.9507 116779.4194 320431.2491 248998.3147 236656.2339 249071.7624 114403.0503 136108.9829 316326.5482 208651.5457 302713.0440 257640.1648 324380.2270 221839.9785 248993.5605 239473.6260 158962.9316 155586.7466 280948.5268 289204.0075 194252.9618 136349.0266 327053.9154 311454.4889 199413.7466 256232.6195 259725.9700 227753.8688 Cer(d44:1)_M+H2CO2_feature1 Cer 44:1;O2 20062.5852 23275.4835 31354.5106 26431.8605 16643.2333 27640.0423 15260.5268 21203.3042 18880.3007 20097.5661 157.1599 137.8020 149.5727 139.5575 129.6975 141.1308 21613.1242 22050.8772 21839.5813 20838.4736 21662.0173 20491.9181 21829.2561 21884.4856 21896.1185 16671.5478 16481.2556 15659.3438 13491.6154 23293.0204 27825.9706 15856.4193 20456.0436 20965.3953 17650.7495 25317.1715 18123.6203 21398.5989 16139.7890 15730.5946 18820.5512 24620.4278 16539.1332 28415.5679 20708.2468 19476.6300 20503.2710 14458.6257 15997.7001 33668.3538 20600.1667 25682.5607 23597.4925 32146.5200 21761.6219 26040.1499 19059.2417 24200.3823 22833.4444 25343.5403 28238.3039 23265.5052 20917.8272 35885.5758 24045.5138 19752.4687 24749.2331 27544.6200 22848.5921 Cholesterol sulfate_feature1 Cholesterol sulfate 221012.3773 258233.6574 342104.7820 232458.8808 195918.2600 280019.5200 154699.9421 198479.6327 171561.2435 178553.2015 116.3576 162.2511 124.3931 97.2102 133.6677 177.3576 212617.5195 220653.8914 210557.9673 213999.7285 205166.5733 217205.3326 206265.4964 215828.9528 219062.1490 210681.6261 202125.1601 162157.7547 157108.8358 252513.8860 331837.8195 180822.2613 223032.6185 243975.5888 148906.7007 212722.3644 153395.9743 159823.8243 149418.0221 193485.9789 228150.7619 279299.2712 206256.3650 315879.5943 161360.3365 181626.7052 179381.6297 136565.8562 145820.3046 343181.5757 218008.9563 288046.5067 263211.8218 317199.4689 165639.3256 183601.2612 137434.9825 194956.2186 189075.9076 213284.5772 271647.8585 228660.4516 183851.6551 312854.7219 189152.9543 167004.0651 207174.1186 199024.7330 151943.1760 CL(72:8)_M-2H_feature1 CL 72:8 29524.1421 41676.5049 49744.9369 30119.8388 23495.1442 51696.4385 29531.0684 40175.5097 47950.9063 30187.3700 165.6389 161.7462 165.9610 143.3000 141.7117 152.4258 40915.0007 42134.0215 41225.6364 42060.4269 42053.8997 39760.3586 42070.0680 46314.0951 37697.5336 34564.3916 33196.5899 30867.2428 28826.9986 38490.0045 57826.3140 31392.1248 32682.1616 30016.7674 50767.5414 51804.5076 26348.1537 32353.3775 29312.5426 25151.9368 34523.7367 42408.8434 32284.9634 42441.1126 50005.9001 35857.6505 30057.9001 33832.2034 34051.7869 59988.7389 33871.7545 39080.3447 44569.2906 57295.6154 36294.9870 50200.3768 42880.9623 49907.1592 38447.4316 37741.5316 47566.5459 32754.9664 32112.0676 55870.1863 49359.0096 43608.5381 52002.8979 43871.5687 38190.9634 Ganglioside GM3(d42:1)_feature1 GM3 42:1;O2 23938.6560 30446.6844 52000.8877 31103.4304 25839.0979 47654.1237 47938.9569 48037.1283 66668.4629 31493.8137 121.3250 118.3023 117.6648 119.5912 144.1658 180.1029 40828.4030 39022.2975 37022.9658 37685.2498 38722.1681 39867.3055 39067.5280 38523.6570 39557.6759 25962.1126 26379.7981 23057.5861 23335.4518 38441.2713 49751.3898 42292.2659 39753.4416 29365.0091 29120.6417 44132.0249 29867.7424 39497.0739 30078.3883 31296.6285 29860.0608 44135.3037 29205.8548 41319.7956 32822.1263 30759.2346 30296.8927 32021.0360 52245.9268 45094.1310 37892.4789 38684.6566 41543.5906 48996.7142 32635.6251 38925.0388 36494.6069 58824.6681 39215.3651 34363.7173 47656.5203 29015.4011 26474.6525 44300.3591 41585.8742 34825.0315 41615.4804 37072.9180 32312.1464 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z_d7)/0:0)_ and_PC(0:0/18:1(9z_d7))_M+H2CO2_feature1 129456.8782 129436.2530 127303.5412 138062.3006 136422.7733 122111.4722 133344.6182 134217.2209 124857.5893 118836.1144 142.6439 145.3912 142.1162 138.3950 144.5574 137.5540 131300.5914 130287.8498 130214.5620 130539.6117 128483.6411 128855.7900 133873.5641 135791.4918 125061.4324 128103.3893 127156.7673 128385.5727 133206.3023 134001.1619 128391.5563 127305.2034 125616.9106 128344.7590 131180.0400 135615.0063 121389.1941 132620.1592 139108.6592 124779.5423 127214.0488 123420.0051 134328.9291 116579.4580 127705.8000 131804.7507 131593.4811 128338.3783 129164.2799 132444.8391 133565.6001 128543.7017 119914.2271 127070.3434 126311.9112 134413.4472 132847.8809 128657.3332 130836.5098 135391.0754 133233.3952 134114.7106 129214.6822 119861.9407 114990.8900 129924.6675 128764.0957 132529.0700 129709.8596 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z_d7))_M+H2CO2_feature1 538090.7490 545461.2411 520135.0405 547126.0585 524375.4307 546414.7092 533885.9137 548113.8091 528723.2138 547393.2637 201.8072 145.1262 147.6628 124.2602 158.6713 270.0145 569264.7081 521177.3478 506807.3807 549120.9035 528529.4078 518744.7003 539293.3241 545092.0454 540593.0605 519959.7524 516875.8399 558535.3721 509290.8030 556864.5069 508080.1225 507168.6808 530878.1401 579999.6226 542774.1362 546048.4009 608330.7106 530498.9769 579069.3167 559170.5919 557234.2899 568419.0934 525328.0657 558492.6736 554103.0954 547572.4919 532057.9509 567561.6131 520831.7980 530420.2835 529202.7495 561113.4891 548636.2756 530678.5195 551975.1431 546042.7775 495017.4193 522887.5884 565885.7079 540219.9866 543882.2319 564015.8225 540806.6392 561803.5659 554372.5466 549971.5216 543046.0675 531450.4559 551707.9887 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z_d7)/0:0)_and_PE(0:0/18:1(9z_d7))_feature1 49417.6049 50854.3090 50073.0931 54278.4789 51901.7332 52721.1645 55012.2256 48469.5514 51727.3715 52241.7171 126.4780 125.6271 115.9741 119.9963 119.7070 117.3906 50644.9852 53192.7863 52205.8989 50472.7945 51428.8594 51874.9770 52045.5185 52047.7091 51276.0729 50373.7609 50729.3047 49874.1734 57744.5517 50565.7945 54225.4701 52875.5208 54377.1413 57110.2279 52716.3855 52513.0461 51577.2071 50293.6769 54687.5558 46092.6785 53048.8046 52476.7085 51737.9357 52817.1639 49902.4534 51220.8896 52081.6038 52765.0071 50410.8973 51151.0430 53689.8288 51211.8682 48875.9745 51653.9889 50194.4264 52918.7642 54494.9564 51174.0539 52729.3786 54627.8460 50691.3519 51061.8107 48798.1461 54184.7322 52687.7774 52750.7189 50581.7544 50409.6406 52908.4024 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z_d7))_feature1 33355.6300 34529.4071 32019.8873 35800.6057 35464.5813 33485.4028 35604.7114 33796.4833 34271.3860 34424.0520 200.0396 161.8804 174.6602 134.4612 129.1915 203.7903 34398.8479 34213.7035 33712.2397 32834.3261 31373.5438 32369.0218 32717.6070 34620.5267 34935.5589 36140.5846 31873.2250 34221.1732 32573.2603 35162.8411 32573.4957 33578.1103 34022.2195 36858.3988 33796.7353 32922.1985 35466.3134 34627.4746 36679.4133 37071.2745 34079.2934 33014.0210 36861.0955 32486.9043 33033.6345 31756.5957 33917.5118 35077.4671 32828.2145 31464.3442 36031.3614 33407.4249 32416.2609 32893.2220 32059.5899 31965.8635 33921.6657 34520.1539 32937.5244 32936.5162 33163.2588 34975.5854 33229.9501 34065.5029 32344.0513 35915.3518 34163.3229 32017.4410 33742.0283 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z_d7))_feature1 200124.1682 186275.7285 206482.2110 210370.3904 191193.8601 216169.5842 211351.5030 186979.5894 202637.6373 205800.5732 144.2006 146.2295 143.8208 129.7914 133.3674 146.4838 211703.5930 196957.0308 194227.3188 199103.0477 198660.7862 216764.6020 202768.2246 205479.6281 194355.0756 199316.9476 199672.5064 198733.0589 203494.4101 199107.0058 215093.5876 202877.3013 198264.9321 224424.8849 196600.3043 195371.1456 209072.0795 207370.8289 214913.7694 200665.6581 205709.3543 210933.8237 204169.8655 199636.3620 198072.3378 207089.1339 196027.4175 205262.5083 204011.7294 211201.9947 198387.8699 207093.1832 211577.7251 193565.6057 191309.2536 200223.4845 201630.1273 206647.6158 197819.9091 206360.6159 201679.5655 196944.7126 198216.0884 203606.5438 223949.7551 198776.7060 202070.9299 200313.5686 195468.9848 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z_d9))_feature1 85919.2090 82317.2788 76246.4831 89984.3339 95022.6172 76481.9329 91768.3445 83389.0486 87283.0355 84034.0486 140.4444 142.3188 139.8745 120.2189 120.0717 135.4787 86019.9586 85440.9860 81987.9999 84454.2600 81216.2115 88099.6285 81130.6987 86722.6153 84717.9355 89504.0361 84238.2276 94560.3597 94320.5841 82721.9260 78344.8732 91921.7892 87820.1911 96025.1684 87719.9553 84734.8691 90237.1068 87410.5707 90155.1829 89693.1651 90011.3679 85802.8350 89798.2913 81631.2384 84959.1218 91178.8593 83942.0081 93218.6705 87686.3630 83612.1922 89012.2092 78485.5648 84092.2312 73811.1341 79917.7969 81087.4702 86691.3043 86690.3065 85321.8261 85671.7674 79396.3459 85523.0149 89231.4108 83030.3387 84551.1628 84597.4224 81549.7238 75911.4750 78673.5161 HexCer(d40:1)_M+H2CO2_feature2 HexCer 40:1;O2 56659.4880 63522.1657 86585.4389 66696.6749 48553.1111 59234.4350 46511.6284 49461.2902 52105.5278 54911.3986 94.7091 101.2489 76.4897 90.7488 128.7658 137.8316 60795.0290 56310.9614 48533.1814 56795.2373 43116.5988 56221.7286 60887.0775 53299.0802 56594.4436 57896.8987 65367.8193 47609.8432 45953.1115 54947.1004 81911.4461 25856.8506 57006.5731 57519.0102 52130.7230 72449.8270 51620.9724 56492.3713 50580.7984 45123.0079 50970.3103 64646.4527 40984.0240 73940.5180 54305.1618 39539.7617 53657.9815 40395.6389 34523.4257 75382.9885 54069.3659 70729.3973 66864.7104 88832.0928 33298.9027 53106.9502 55747.3910 61528.4910 59597.2579 72594.3550 68743.0277 54681.8006 48669.0262 78307.6971 70779.5880 49267.4913 57040.1272 65470.4667 55878.9393 HexCer(d42:1)_M+H2CO2_feature2 HexCer 42:1;O2 72562.3964 82664.0245 107905.7699 127202.6800 63091.4485 96802.7981 74907.1892 102570.7017 62475.1773 91259.3397 97.2129 230.2791 101.9232 101.8820 105.7085 124.7045 90088.5049 92713.6536 66245.4489 73430.4135 93819.5864 70976.6374 79238.3624 73129.5234 102892.7316 60540.7345 93705.6682 64977.0614 80175.3053 65143.7152 91611.6332 63142.3257 76587.3165 64759.1682 85308.5602 100767.4013 56329.6673 67237.8040 70958.4347 53453.4889 53831.6510 105129.2293 48605.8784 79750.1242 61048.3087 83220.4127 66093.1627 66162.4632 50792.1676 102650.7022 59041.1696 116228.0256 85997.1216 102512.5472 84934.8514 86160.5827 84265.2867 76811.7087 84225.5887 110393.7216 82558.9606 89630.7399 62878.4782 94167.2422 72434.1744 82108.8372 80098.0208 79118.0036 85087.6975 HexCer(d42:2)_M+H2CO2_feature3 HexCer 42:2;O2 45507.3038 46369.0699 41444.9806 38011.7245 23557.1088 33602.0911 20084.1406 27103.5356 31784.0110 44978.8217 103.5873 81.6716 111.0590 95.2879 100.8697 133.4877 26063.3101 25332.4628 26907.3802 30220.9686 25676.1627 24757.7957 26807.4848 26489.3647 26663.7973 22417.0739 26174.4800 31439.2300 25216.1085 30210.0827 34515.6286 19378.8405 35748.6358 26673.6848 27517.5586 49657.3032 25841.7871 36501.9826 20362.5083 23770.6075 79497.9205 36609.3798 22961.2107 113754.3481 24909.6581 23546.8682 25323.3656 19164.9504 21920.0457 49660.8751 23696.9626 51009.0552 36231.8929 38266.0535 23472.2444 40381.7747 28972.9078 30233.6976 27509.6726 41121.3179 51869.7525 41745.5295 27598.2818 36163.0728 35332.3083 24800.7851 25853.2790 31208.0738 23949.4202 LPC(16:0)>LPC(16:0/0:0)_M+H2CO2_feature2 LPC 16:0/0:0 1053863.8820 1003370.1830 1515900.8680 1190425.9590 847636.2835 1876992.6960 1008876.7560 1375230.1000 1300268.0030 1169830.5870 146.1502 425.6203 352.8198 144.9470 721.5083 988.6845 1215951.2420 1299888.0900 1206528.9960 1203488.1770 1196111.0010 1211825.8280 1208145.4270 1304709.6850 1216506.6360 1311686.2740 1251795.6260 1160554.0920 1151616.8910 1105974.5740 1324403.8450 706724.8630 1049775.1110 1069160.3720 1146716.6420 1554268.6750 1093136.3280 1154743.1180 1110191.1010 812679.0806 927747.3986 1226788.8810 830314.7404 1201169.1810 1238305.7820 1353765.1110 1356646.0600 924641.3531 1120248.7100 1641674.8650 991727.2608 1338296.3210 1328434.6190 1502147.6450 1390070.5620 1774511.2350 1194296.7930 1357375.7260 1295362.5140 1120822.5310 1299081.3530 1099613.4280 1029302.2600 1641129.5260 1645683.5020 1317191.8150 1642806.0150 1892515.0070 1505937.4610 LPC(17:0)>LPC(17:0/0:0)_and_LPC(0:0/17:0)_M+H2CO2_feature1and2 LPC 17:0 32642.3131 25689.4043 37743.7219 29554.7171 22238.4352 52275.9342 27261.0469 41417.9279 33452.0959 32666.8954 122.8042 111.9062 107.3381 111.2360 112.5072 107.3514 34797.8481 36489.2792 34703.2753 35105.3753 34526.7577 34689.5570 34963.0724 34975.7329 36147.3478 41269.2150 40492.1086 32590.4685 32736.9315 26464.7542 36248.0890 20676.6816 33340.9903 31640.0368 33619.6987 47556.2554 30231.9442 35069.1272 31159.6501 24087.6440 29052.5347 36016.8400 25717.8733 39317.4698 35553.8230 39900.4054 36119.9329 29406.6113 30648.6555 46538.4738 28486.5861 39241.6767 36355.0787 40844.8128 43769.5586 51518.0319 36153.4424 36302.0372 38072.7415 28419.6080 41285.0141 27096.3145 27314.0515 47311.6015 54920.8506 42421.9300 45844.1230 51256.2622 40551.8858 LPC(18:0)>LPC(18:0/0:0)_M+H2CO2_feature2 LPC 18:0/0:0 2039471.0940 2071087.4320 2659006.5380 2024427.8120 1581598.2080 2482086.4450 1456502.6580 1949677.0720 1764196.3470 1625754.6010 112.4966 471.8320 264.2519 106.3794 734.4763 778.7945 2118918.3890 2054397.2040 1888243.0390 2090535.5620 1945627.7900 2118713.9850 2185333.2510 1931081.7570 2035008.9000 1771757.1090 1845127.9870 1460318.3360 1599078.8480 2179676.4850 2393529.7050 1424006.0920 1912116.4690 2030387.7720 1640543.2770 2328118.7760 1698042.3770 1641312.6820 1747286.5120 2193335.5740 2077250.5090 2530743.4720 1998859.5080 2673625.6950 1852266.6520 2078309.1460 2075656.1540 1462762.2140 1677792.1820 2729925.1460 1944878.0300 2516241.7530 2381259.7540 2635104.8680 1935095.8030 2119626.2470 1799259.6100 1946720.7440 1858239.6500 1875168.3710 2845568.7220 1687588.4230 1646861.5020 2960322.4050 2510818.5690 1601453.1250 2135622.3110 2399121.3520 1929916.3000 LPC(18:1)>LPC(18:1/0:0)_M+H2CO2_feature2 LPC 18:1/0:0 99693.3745 89612.6543 148815.4813 123830.4722 81661.1041 162300.3841 87358.8507 115231.4189 108941.0782 102615.0323 160.7546 183.9064 160.1666 156.2383 195.1082 155.2961 115402.3726 117423.6013 115702.5384 118322 111863.0365 115920.8599 117627.7559 120726.5659 112271.2436 126252.8570 107918.9195 111768.3728 134112.9058 98184.7803 116574.9017 66887.1959 94012.1503 97857.5100 97608.4836 122145.4148 89280.9163 97175.4793 99884.7371 73320.0073 92430.4576 110803.3905 88401.6556 116378.9408 98697.0633 118847.9999 126285.8968 83064.9407 99266.1691 169297.4067 109157.4132 127518.3111 123231.4073 152626.3435 109609.9826 152465.3460 96722.9817 109822.0573 119046.6684 115984.9378 123335.1472 122255.6929 111872.7218 178307.3217 158686.4450 146708.4459 201797.0619 224697.4589 180321.0179 LPC(18:2)>LPC(18:2/0:0)_and_LPC(0:0/18:2)_M+H2CO2_feature1and2 LPC 18:2 131871.7414 103618.0460 121164.5896 188896.8041 78350.5703 156026.7990 73375.6240 81773.6303 151240.3737 117053.3271 180.7333 203.1364 211.7244 188.5683 212.2906 225.3783 103763.5439 162027.6928 103688.2417 160125.8971 113020.8895 164209.3805 121050.9751 114804.1862 129796.6707 133701.6974 129514.5931 117627.0318 120557.9866 75821.7254 115576.7225 95248.6088 84809.0896 85872.8169 89528.9705 158371.5088 104873.2135 90348.4621 105104.7188 62918.6341 88235.4624 94768.2817 72999.9090 140922.4642 81784.5319 162112.5763 126484.1016 78986.3256 92112.5315 158637.1334 105983.8873 127753.3902 140353.6466 155452.5036 112760.2668 192197.0538 79212.1494 122384.5162 124743.6696 100798.4003 156336.5468 134728.6465 118269.6410 278861.3917 221293.9676 196040.5484 172700.4861 291702.2377 200124.9383 LPC(20:4)>LPC(20:4/0:0)_M+H2CO2_feature2 LPC 20:4/0:0 82117.6650 82320.2427 138733.6156 113411.5384 108090.6333 183029.0292 62439.9815 139033.8303 82511.4185 139615.2695 282.0948 320.2164 437.3097 300.5772 333.5060 340.1665 127705.7256 125676.7410 109510.5161 111337.4632 124793.3324 107707.4352 129052.4603 120538.7548 122819.1550 159319.9517 153229.0352 132003.8998 94508.9266 83740.1819 120086.1984 65744.9073 114672.9707 129651.6203 102611.0829 146809.4134 125352.5043 93406.1282 133413.1229 84596.7479 101895.2374 164976.4125 89766.7051 171374.9120 142190.1050 88941.5925 130063.7119 103424.1486 105661.6394 192642.2226 97741.9449 89413.3124 128591.2132 126989.2295 118237.8513 105515.0089 111717.3520 158059.7635 84322.2563 88988.8719 123763.3926 81040.7303 100355.6983 145561.5812 90596.8927 67565.9706 170334.8267 160394.7033 80173.9934 LPE(16:0)>LPE(16:0/0:0)_feature2 LPE 16:0/0:0 56117.4502 64211.3867 84176.7842 63485.9169 45337.9384 92382.4097 54620.2376 65077.9329 62928.8091 61042.1144 132.3789 129.7011 134.1561 132.4634 136.9966 130.3951 64117.1491 67628.6308 65900.1493 64401.8332 61504.1267 65355.2648 66075.7610 65945.4840 65313.9678 50006.8470 50414.0813 44949.9394 45557.6959 63097.3819 85202.2028 41453.0953 59674.8923 61749.5731 61541.1935 78483.3597 57252.0377 58445.1766 53252.4715 45461.8416 53804.0140 71796.7604 46582.9854 65622.6915 60767.9585 63793.4635 72021.7839 43871.8491 54436.0692 92479.2408 50914.6432 74655.9691 71201.8499 80263.0552 62702.0405 79570.1329 58162.7587 64279.1548 62074.7332 58675.9642 74036.9018 61020.8091 53503.5180 84216.2173 74691.6392 54121.8774 78191.7207 100579.0666 78347.8549 LPE(18:0)>LPE(18:0/0:0)_feature2 LPE 18:0/0:0 124840.0490 138658.3823 187769.4534 132131.9718 95301.8635 170850.2496 107015.5862 109467.3825 104831.6927 105284.1028 102.0312 109.8065 105.8954 99.5176 102.9480 103.5698 135887.9992 132135.1784 131792.3926 139117.2867 128911.2245 129592.3428 129116.9805 143530.8904 131681.2677 99480.4040 104399.4140 93043.0921 90253.0984 145076.4122 185882.2335 92587.1688 127347.5911 156047.1969 113363.4342 147360.1089 102134.3000 104924.0232 98234.1445 118964.8602 114557.4482 177310.6761 114701.1332 174549.6547 123643.7107 104789.5527 137885.5830 82999.1498 110533.3974 204540.9951 111722.0674 162588.9985 161561.2213 169173.4757 105513.1395 140647.9709 114629.8476 116228.4853 115191.2836 122608.7936 174530.3837 134700.8490 128457.6830 195781.3029 157982.8822 108019.4378 145368.4537 174437.1191 144929.7139 LPE(20:0)>LPE(20:0/0:0)_feature2 LPE 20:0/0:0 94701.1722 86560.5027 102828.3554 93433.9036 73858.7548 108613.3276 63736.0553 81287.4175 73273.6681 70622.7097 104.5480 104.7366 97.0989 107.0921 97.4914 100.9543 91941.9376 85881.0316 80329.8498 88017.0908 82535.7623 82957.2430 87911.8541 85544.8647 90302.3614 80708.3824 86995.0189 63162.0014 69244.1296 98006.9494 104673.0704 59921.9155 83701.1515 85601.5031 71743.5590 99279.9390 70602.4278 72680.8295 78550.1155 89301.6134 91469.1068 112202.7227 80033.0417 116231.7063 79170.0571 86859.0845 87141.0534 68083.6376 67328.8529 132133.5666 78098.8112 105578.8311 104460.9522 117042.0070 86280.8242 96140.1895 78475.3957 81057.8420 82920.8124 77344.7911 128315.8196 70958.0566 68682.3375 118599.3714 105817.1749 64654.9901 87334.4808 99551.4345 80147.8425 LPE(O-15:0)_feature1 LPE O-15:0 29445.3698 27836.7879 26691.1490 28832.0373 27282.7948 26673.5136 27321.9346 27198.8225 27466.0994 27829.9963 125.8910 124.9364 114.4410 112.1207 111.7457 109.4814 28241.7861 28094.6835 26745.8650 26962.3501 26777.8537 27711.9716 28243.3466 27832.2757 27428.2079 26954.4810 25714.9645 27117.2480 26968.2239 26959.2156 27705.8450 26965.4039 27489.8541 29821.3508 28541.9805 28877.2349 27192.0139 27308.9826 29504.8504 27664.3236 28173.4361 27256.5648 27976.8715 26949.4879 26803.3910 28512.8569 27063.2455 28999.3763 26780.0519 26192.4288 28132.2064 26524.7231 25336.6785 28866.8312 25500.4423 27857.7440 28094.2912 26798.7474 26038.1888 28742.4780 26066.9553 27394.0187 26115.1909 29016.1091 27244.9229 27112.1671 26486.2429 26212.6587 28358.7677 LPE(O-18:0)_feature1 LPE O-18:0 29869.0566 31408.5662 43104.4281 29331.1584 23101.6806 52184.2841 24447.2575 40651.6562 28849.0611 34465.1060 107.6835 109.1302 106.4324 94.5654 91.0304 97.2820 30376.8735 34335.0419 32550.1250 32453.6654 34295.6754 31635.5893 31251.9297 33471.3101 32089.2796 35566.3407 35147.7404 26661.1166 26821.8916 34442.4906 41200.4605 20396.8057 30891.3520 32057.6071 27964.2540 37046.8715 30980.9799 29615.4446 28337.5320 22633.5439 25319.0033 37511.9674 23125.6078 33502.5492 30709.2843 30810.2938 30606.0295 21255.9930 31341.4637 41091.2297 24775.1050 33557.8704 35350.7460 39775.1787 32781.6846 39277.6235 35613.8938 35785.8901 30706.2398 30488.0231 38336.7677 28580.6152 28352.2636 41167.9439 39116.3253 25819.5278 37970.6288 35897.4536 36206.8812 PC(30:0)>PC(14:0_16:0)_M+H2CO2_feature1 PC 14:0_16:0 2838525.0020 2842361.3660 3991588.8700 3330807.3350 2495478.3020 3549067.7030 2188471.4810 3257199.7990 2625397.8000 2740334.7550 174.0897 286.0057 272.0603 534.6359 162.6957 1533.1534 3011063.7700 2966063.7880 2874194.9480 2973657.2020 2883259.2920 2841648.2560 2922464.8050 3013049.9890 2997994.9650 2438790.5760 2499850.8310 2147203.6450 2185792.3540 2956590.5870 3123050.1970 2125620.8710 2609330.3390 2726035.7020 2435024.4390 2772044.0940 2541308.3540 2872323.5020 2378145.2060 2318868.7110 2682353.8210 2762335.5650 2342242.3410 3108593.6940 2504056.5640 2717311.5190 2714021.4250 2189801.1120 2269321.0700 3264584.1240 2593619.8710 3220065.4570 3023775.8660 3559291.7670 2563643.1740 3158136.9470 2436211.1150 2999389.2790 2770129.0660 3360898.4460 3275932.5230 3080953.2360 2849673.4770 3757669.5670 3069631.2140 2824517.0500 3064362.8910 3494929.3750 3382418.7860 PC(32:0)>PC(16:0_16:0)_M+H2CO2_feature2 PC 16:0/16:0 12227978.2200 13318884.6400 16030686.5800 13387049.3400 11302568.7300 16138735.9800 11086893.2900 14374550.6200 12437267.3400 12988797.5800 4016.5903 4843.5426 3690.4469 5553.1597 9926.3433 11424.5120 13498869.4500 13052878.3300 12881859.6200 13236816.2800 13220810.6900 13053164.8800 13202859.5500 13601265.6100 12927949.2100 12499898 11531071.5800 10232850.0500 9234863.5950 13044978.0100 15236187.2900 9757857.1670 11719641.3300 12638158.3900 12271797.4200 15620054.9600 13132727.7300 13585069.9700 13298472.3700 11350907.4800 12059479.2900 14006782.4900 11157375.8700 14468474.2000 13703167.2000 13806585.8700 14407137.9500 10978414.8400 12460046.5600 14428584.9800 11482390.7000 14282707.8300 13813868.7300 14744261.3700 12927136.3800 13351272.8700 13272551.4500 13711916.6800 13372320.7800 13077938.3500 14794406.7900 12473619.0300 11516408.6900 14736881.6600 14292492.8200 11323062.5000 14758809.0800 14157959.0700 12735339.8800 PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1)_M+H2CO2_feature2 PC 32:1 6246847.7760 6913987.4540 8199970.4860 6925738.0610 5315589.2930 8170657.3140 5399697.1050 6818656.3220 5878824.6650 6418760.2670 607.5071 629.4479 412.1980 1608.7653 1539.8825 3532.1884 6241301.3990 6259062.0670 6369125.6320 6479826.4010 6305125.6050 6581082.8490 6356279.0240 5762024.8050 6596756.5570 5523955.7220 5637304.2540 4513931.8510 4620415.2780 6427268.1390 7763550.7290 4788171.3170 5833978.3940 6100553.8590 5642293.4350 7003158.7710 5779701.1560 6415575.2360 5391896.8110 5385601.2800 5814689.0450 7127173.4660 4601815.4770 7184734.2020 5920041.5420 5949700.2360 5965684.4450 4712463.0310 5406518.1600 7149738.5610 5589418.8540 7308605.9780 7469819.3270 7690331.7270 6216719.1030 7035551.5230 4791997.7560 6567330.7920 6240057.5380 7221949.2840 7337942.6380 5627676.3540 5585618.8730 7612042.8170 7203377.8550 6130670.2320 7003289.3080 7279567.8530 7000993.3020 PC(32:2)>PC(14:0_18:2)_M+H2CO2_feature1 PC 14:0_18:2 666683.4688 939954.9253 866233.7585 684482.0524 598575.9179 1293168.7000 708448.2755 779753.7172 615163.3219 821089.9886 273.1748 271.7607 281.2264 216.3111 215.0394 244.1226 676374.2436 833466.9681 734059.6789 822628.4739 673945.1778 715371.2364 614974.3211 833849.0787 786131.9553 812595.0154 845351.9391 676251.1878 601648.7139 787039.7005 1019545.7930 572981.1415 730459.3880 818869.7730 821561.1847 1121081.0760 582711.2057 646609.8651 784680.6414 746064.4986 704972.5699 1244584.1410 742017.3143 1044473.0200 945742.6961 557918.4729 736038.2022 690247.5224 716994.4319 1099151.2760 628636.5462 987352.5089 755857.2934 895400.9944 1132607.3710 955754.5831 981960.9080 963044.8948 718570.8414 696811.6979 873907.2724 630744.2424 634011.3831 1002753.2860 1133169.3470 638593.3535 1002567.5860 800985.9785 667755.3585 PC(34:0)>PC(16:0_18:0) M+ H2CO2_feature4 PC 16:0_18:0 1431261.9890 1447330.0200 1854645.1310 1400602.4540 1159028.1960 1836734.8060 1140791.2660 1440275.2080 1201387.4910 1361343.9040 329.4384 367.5288 556.0753 321.0384 312.9573 340.3681 1434138.7870 1400450.3100 1448550.5060 1393259.3330 1367074.3990 1381435.0620 1398349.5080 1407078.8980 1466004.2330 1271853.5360 1368764.1850 1087160.9450 1032360.3800 1445626.9870 1588715.3310 1149816.5740 1365652.4990 1383773.4510 1251879.4300 1690248.5100 1331369.8080 1374925.9410 1267616.2510 1189990.3860 1321664.7160 1738739.5480 1219405.8990 1747040.5920 1408518.2050 1414643.9620 1391495.0350 1081482.5260 1228739.0170 1852122.7130 1326829.0870 1544877.4180 1534238.7040 1777536.6950 1291886.3480 1411813.1170 1408660.4360 1408293.6160 1429141.3150 1377652.4050 1757110.4300 1223381.7690 1203912.2910 1753580.8010 1659270.0620 1160379.7910 1482768.6120 1531031.3170 1313311.0380 PC(34:1)>PC(16:0_18:1)_M+H2CO2_feature2 PC 16:0_18:1 5937809.7380 6097028.8560 7158959.5740 5712080.8090 4858551.3690 7271533.4130 4788445.6190 6124554.0010 5168622.7630 5589886.5370 1029.1855 1048.8145 1211.4445 1441.8172 2062.9657 3759.6397 5689713.0050 5698803.5710 5683010.6830 5913566.6360 5892050.0770 5751328.1140 5831834.4610 5631521.9620 5683969.6810 5007060.9060 5056722.2240 4444917.7670 4456529.6680 5880309.6940 7126825.4310 4473872.8970 5520305.4770 5764242.1500 5024142.9910 6336755.2090 5289365.3200 5638647 5230563.5640 5029905.5920 4993082.6640 6556092.2910 4568889.9850 6767414.8320 5780505.1990 5682821.3560 5826078.0480 4597710.6800 5234948.2590 6596585.4540 5150541.3880 6627724.6010 6237711.6510 7064240.4650 5184326.0690 5472014.5880 5376783.3920 5559056.8930 5648983.2820 6021431.9060 6326766.2040 5220600.4570 5226646.7070 6746888.5740 6148193.6980 5039184.9640 6254528.4990 6506173.7460 5341885.2440 PC(34:2)>PC(16:0_18:2)_M+H2CO2_feature1 PC 16:0_18:2 4160792.9470 4712268.1760 5471545.0820 4685909.0080 3422318.7600 5850295.5890 3594497.7870 4794522.4180 4031405.7540 4121144.0130 327.4090 346.0327 492.9491 638.3608 829.4712 2198.7331 4368981.8370 4488650.9100 4466858.7030 4593621.5730 4258038.9220 4547935.3680 4421541.9460 4448530.6820 4438525.8790 4172339.0370 4176578.7660 3369955.6750 3281565.2400 4367151.2250 5419591.7220 3206559.9300 3967875.0330 4166737.6060 4120829.6830 5065429.6440 3948920.8370 4274025.7400 3837574.2390 3204774.3740 3728290.0700 4751528.3110 3146408.7940 4452627.6050 4431614.1280 4633972.2500 4496419.1810 3505057.1730 4032980.8950 5075510.7140 3560536.6330 5049715.3590 4966739.6030 5426517.7760 4478995.9380 5244213.6510 4224911.5730 4667876.3690 4820421.7850 4557717.1790 5163718.0650 4191311.1110 4144745.5020 5335507.5960 5323692.5630 3919546.2550 4643786.7370 4912888.2960 4729035.8430 PC(34:3)>PC(16:0_18:3)_M+H2CO2_feature3 PC 16:0_18:3 263565.2020 208375.2573 317758.0758 251061.5211 189083.7331 280890.9062 151800.7679 222768.8291 187472.7813 183131.1241 162.9149 166.8466 162.0259 144.6330 145.9413 141.3491 215389.2593 224151.0380 221778.1949 225504.3710 222826.1247 220051.6367 220029.3366 223263.9252 218555.6379 105829.3790 153527.8699 128680.2148 123959.2112 255532.9618 239818.0903 181333.1465 219601.6758 222590.3168 167875.7376 201685.2164 178172.9462 193997.0282 157267.2305 173970.1754 204653.0929 232246.9623 169497.6608 256514.4934 175700.4550 173905.6909 181161.1828 149502.3854 146534.8436 267131.0769 208258.9451 275682.5092 241474.9651 300687.6057 198911.8851 265172.2690 178929.6047 199130.8669 228754.4778 304343.8780 289587.1861 255799.8492 232076.7154 333020.8203 239011.9511 222246.7274 234504.6065 282587.2203 250470.2218 PC(34:3)>PC(16:1_18:2)_M+H2CO2_feature2 PC 16:1_18:2 183377.6187 243039.2897 236937.4813 297210.9874 195699.0186 261461.1212 139811.0656 189504.8658 179090.2910 177606.0014 282.6537 278.5266 287.8018 251.9913 254.5592 247.9000 197156.8701 190555.9554 206077.4184 245255.3332 189906.3336 195935.7884 209155.7664 191386.9183 207621.8482 187891.2473 250016.0608 145878.5325 126050.5948 216072.5859 210304.4405 147154.6607 189703.4924 191525.8990 157565.3575 204164.1007 183251.7345 219030.5873 163695.1330 138653.5472 157618.3802 206695.0774 120835.7343 172494.9365 185829.2087 188821.2805 179401.4614 126339.9670 163393.9301 257660.4701 143389.8806 261752.7717 213214.5120 226187.5588 241044.6042 311601.8740 173743.2003 205693.6071 232877.0135 238332.5166 227069.7148 229260.0400 207945.7381 255011.0026 229777.1176 182871.9778 205202.9142 232932.9857 233986.7652 PC(34:4)>PC(14:0_20:4)_M+H2CO2_feature2 PC 14:0_20:4 26693.1598 26456.9414 43173.3838 35976.5242 25757.3824 35894.5521 20343.2547 32611.5669 26775.1153 21101.7126 274.7937 283.5808 265.3539 296.6680 292.4468 282.7023 34608.2168 31396.8569 30510.9245 33334.2994 35592.7021 37064.4677 29479.9435 30193.1840 35007.3295 13327.8036 18936.7581 13962.5442 20955.5497 31223.7376 29120.1188 20911.8684 36794.8787 36414.2729 23786.9633 9033.8016 17705.7000 33835.5600 17047.0718 24415.3632 25453.3148 32527.7736 23455.2219 33686.4094 20019.9175 28393.8957 23069.3946 17519.9840 25305.1489 36606.4170 23055.7654 35760.0786 35442.9924 26256.5957 35264.0102 47806.0040 8303.8835 25598.2011 29206.6104 31902.5717 40318.0303 21840.5568 33984.2234 41058.3019 31342.1298 27082.3855 27016.1534 46442.3212 37410.7806 PC(34:4)>PC(14:0_20:4)_M+H2CO2_feature3 PC 14:0_20:4 100426.5247 90908.0182 152453.8317 95562.5486 71694.6448 118958.4852 57659.1374 99968.5542 81106.9093 79061.5997 141.2313 142.3904 143.5537 128.1256 137.6164 122.2303 86120.6454 86398.5859 82206.7709 84610.8442 81781.6777 81741.0374 85956.0979 85938.7970 85474.2241 66940.8919 64054.9201 54526.2478 49325.2731 86059.6243 83472.6778 55298.7240 76562.2959 76406.1404 64855.4075 84960.4027 80360.6733 82026.6648 65787.4206 63444.2380 70648.4447 84724.0186 55075.7233 90280.1720 70069.5790 67180.3146 83668.5423 57132.0190 61267.6285 115666.2626 75118.6755 96097.8566 90763.1896 113822.0464 91636.9600 109643.4609 71521.4999 86274.6023 88835.0290 103566.1977 104860.4742 81615.6117 80634.8616 120732.9273 90730.9144 76776.5382 84528.9644 102513.5557 88272.8492 PC(35:2)>PC(17:0_18:2)_M+H2CO2_feature2 PC 17:0_18:2 36753.1646 37153.4767 43094.5781 37364.2240 26156.3208 53340.4894 31858.6293 43621.5939 35042.6945 37990.1845 172.6096 166.1146 176.3368 148.8683 139.1598 176.1077 42573.5578 42909.6490 41907.4582 40916.1169 40335.4030 39786.7340 42643.1560 43340.8650 42244.6667 47445.3305 47463.0453 37213.7020 35361.3840 36817.0167 52950.8670 28367.9656 36779.5768 37297.6860 35639.0805 52653.7871 37058.1809 39507.4017 31886.8669 27086.3538 37041.7824 46153.5658 29570.5309 43942.1663 45068.4798 45497.4299 35840.8895 32331.9626 34183.1038 52546.5459 32494.5387 48442.0691 42548.1016 49999.8935 40085.0246 53653.5129 44302.3185 40946.6871 42668.6840 40842.0183 45485.8999 35586.4588 36774.8523 51970.9600 56685.7988 45397.1921 49886.8587 53515.9896 45085.6748 PC(36:0)>PC(18:0/18:0)_M+H2CO2_feature3 PC 18:0/18:0 48696.9002 51886.6349 66854.6454 52223.4646 41445.4767 73053.9365 39502.3989 60101.0385 49933.7604 51812.2472 125.7409 114.6795 121.7678 118.0608 125.8070 115.9335 54156.5161 58388.6609 56312.5574 52177.3247 54935.9542 53027.2839 59751.6851 54866.7251 54738.7192 57789.0673 55700.2901 46041.1921 46154.7037 60281.4785 58685.6262 44418.9979 52592.6362 52256.4853 46352.6011 66781.1678 52441.8127 51806.2699 54795.2619 51144.5284 50902.5832 73274.7959 50472.9797 66510.7218 61052.9230 57626.1056 53554.8622 44302.8669 49481.1980 72684.1206 53649.9147 61651.6039 59325.7875 67547.3243 53598.7624 55285.6613 56898.7088 59889.2958 55107.7773 52242.3653 69796.1453 44913.3003 49824.8095 82827.4252 67609.0876 51298.2346 61933.9808 59837.4887 55673.0503 PC(36:1)>PC(16:0_20:1)_and_PC(18:0_18:1)_M+H2CO2_feature1 PC 36:1 1345995.3890 1666743.3590 1802627.5140 1381865.7890 1335696.5030 2138941.6600 1100508.3120 1617949.3950 1350459.3780 1547977.6070 176.1201 245.9518 188.8469 170.7287 175.0439 432.4204 1658425.7100 1466434.5140 1647161.9660 1624462.2180 1595864.5580 1584963.9480 1644262.6970 1660633.3120 1505291.6510 1283081.9570 1508225.5440 1356398.7010 1277475.1270 1790450.0450 2148981.2570 1173776.6980 1562214.0550 1544285.6970 1260929.3100 1951128.8820 1450043.9330 1293921.7400 1411823.6220 1452738.7130 1544285.0090 1836043.0830 1387522.0990 1980607.7170 1681973.1990 1618559.5280 1596969.7850 1154874.5120 1311981.5150 2098224.2820 1458246.0980 1829640.2730 1848739.4970 2024912.7190 1493296.5210 1514714.4010 1609158.1520 1646976.1940 1324148.7480 1558685.2820 1943908.1330 1413849.9920 1368225.4310 1641793.9870 1952889.8730 1382082.4250 1735775.1300 1462303.8230 1225061.5980 PC(36:2)>PC(18:0_18:2)_M+H2CO2_feature3 PC 18:0_18:2 1486362.5430 1585821.3920 1818595.9440 1511968.1780 1197650.3990 1914837.1340 1173375.6660 1398550.3810 1231809.7460 1491584.8920 166.7642 188.3608 198.8792 157.9389 171.4206 476.6796 1558922.8890 1601866.7000 1588963.2160 1537076.5230 1514712.8780 1595314.8810 1489316.0440 1604032.8220 1606903.8860 1549578.2560 1538835.2600 1347055.8400 1306100.8530 1526928.3060 1973613.1790 1218236.0930 1436128.6140 1502731.2670 1392265.2000 1846935.5190 1325698.0890 1343357.9130 1305361.4490 1220686.8110 1381823.4100 1812877.4780 1264210.1250 1827805.2750 1553944.4210 1567350.2870 1430934.6510 1176274.2260 1223038.2910 2068407.7090 1450755.4680 1886182.0090 1820657.3580 2164659.1430 1448895.6070 1726465.3420 1492770.1140 1507077.0230 1517202.3290 1674810.0730 1874053.2260 1486303.9980 1434091.0900 2078622.4560 2002590.0240 1569114.6280 1719580.9550 1789273.0250 1608392.5320 PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature2 PC 18:1_18:2 612572.0735 624814.2526 763434.7995 599565.7620 458854.5328 767274.6585 465223.5538 593290.1083 521074.8405 521606.7971 176.8742 174.0653 173.7823 156.3802 156.4585 355.8832 600041.2196 596380.1180 580413.1859 589150.9282 569963.9947 609478.9431 576897.3832 598031.0100 596471.7244 621059.8086 596936.8753 496104.8594 498926.5203 590488.5298 738671.2287 463835.8150 593065.0301 587593.8676 525299.4861 677961.1117 515183.6926 539634.7081 483354.3365 479407.0787 543036.8776 709846.4421 458261.7910 682120.4905 576437.0680 599565.3960 541450.0700 455257.5428 514238.4249 789782.2130 491218.8489 675866.6937 664926.9821 757533.1101 554729.8696 668122.8391 595253.4720 575392.9546 619214.9127 598703.0061 716428.9307 570732.4283 540183.6501 763825.8452 754719.1597 534443.6972 644981.9405 709263.0079 567117.5273 PC(36:4)>PC(16:0_20:4)_M+H2CO2_feature3 PC 16:0_20:4 3564169.9230 3550210.0700 4493192.3670 3269826.2070 2760373.8300 4555616.9310 2838871.3440 3821451.7610 3087263.2240 3582855.2470 213.1285 486.8926 394.4175 460.2440 548.7895 1412.1639 3330891.8310 3328324.1740 3306550.6250 3288473.5470 3183328.2120 3362572.7720 3208305.1660 3403429.7950 3316324.9190 2873385.9030 2763619.4390 2616994.3640 2598515.6890 3519881.2320 3848463.1300 2738671.9550 3193940.8870 2949483.6730 3187145.3710 3833701.7240 3139017.1560 3380405.1390 3073703.9380 2607347.5460 3196042.1190 3646810.3310 2403203.2590 3712403.8510 3431742.4400 3391180.6240 3550936.1060 2749310.7770 3156607.3390 3767796.2260 2916919.8820 3524083.7710 3554900.9160 3719768.7570 3072544.4040 3164518.2800 3338049.4290 3678866.3780 3413139.4430 3227025.3930 3747634.1640 2775844.8260 2848822.2950 3715447.8880 3547506.9380 2876454.6340 3400753.1450 3666837.8020 3048220.7760 PC(36:4)>PC(18:2/18:2)_M+H2CO2_feature2 PC 18:2/18:2 237249.6820 222272.0643 293230.5473 244543.1200 169635.0131 275350.2533 162755.5434 215619.4314 198882.8679 190812.1375 142.9672 142.1887 146.1208 132.5011 128.4744 131.9256 214167.0277 212847.2127 226125.9205 214784.0463 216725.9610 210673.9677 213334.6955 222604.1562 214866.4965 240118.1337 237460.3404 167252.8246 166132.6037 216200.9030 236908.3438 145783.5204 189008.6008 208031.1380 191262.9280 247629.2524 180243.0092 199692.7997 152281.0538 146203.9014 173535.2002 214585.2819 146804.2587 230726.4422 220765.6060 206817.3760 169060.3439 153712.9043 174707.7248 287834.2024 175267.0607 254628.0685 268602.6502 317567.8128 225080.5618 301404.1153 209187.2591 203576.5415 246877.2500 246423.4068 252943.9520 225296.1164 215363.2889 328801.3539 275397.6034 195000.4542 238513.1460 283002.5980 243257.0925 PC(36:5)>PC(16:0_20:5)_M+H2CO2_feature3 PC 16:0_20:5 172682.4335 292130.7243 335928.5336 237318.7480 172192.1215 249484.3860 148576.0852 240993.4968 190091.6261 229263.6411 158.0502 155.4771 160.6829 133.2979 134.5483 130.9242 205443.2156 202683.2449 202961.2058 209542.2056 205633.6507 201298.3764 203405.9805 203451.4244 207054.1985 144200.7336 135951.0871 114092.6222 108182.9870 209726.0624 263866.4128 123729.4466 145097.5057 157847.9050 168872.7262 193784.6014 161973.6076 199237.4463 174212.1354 134965.7962 144413.6574 159796.7026 90590.9139 175081.0023 178266.8349 154675.5207 220625.6607 134468.8706 136044.6598 253981.8876 182716.5995 264143.5609 270299.0940 327911.5946 245930.5211 277834.1307 234957.1215 255237.7284 213242.7709 308711.4106 237864.0674 234158.5426 183843.2734 233482.0708 189175.0127 148411.0430 185249.9189 205281.1036 166468.0335 PC(36:5)>PC(16:1_20:4)_M+H2CO2_feature2 PC 16:1_20:4 135277.3654 125590.3945 197266.0523 133283.9740 96517.7096 141106.5584 81170.2589 100765.0893 97313.6376 93180.7722 211.7280 218.2500 226.2456 193.5075 191.6146 217.8493 91448.7798 109003.7974 111688.0967 101192.5341 99140.6468 98014.9891 106504.8478 111986.7042 92525.9254 66444.9957 78539.8036 71485.7782 66625.1871 118377.0344 120541.1807 64189.0364 87210.8666 83623.3926 89395.1302 94379.0225 75148.0633 94292.3962 99087.7766 79979.2761 91576.2368 136085.3579 83430.8391 84576.5042 102341.2797 102571.7494 111337.8659 76973.9884 84710.2698 153061.6146 104909.3347 133169.5772 109938.6303 141873.0863 110341.9366 108689.6822 95745.8358 107567.5812 126046.1007 138441.7040 113766.0382 110192.5498 100136.5518 105522.3078 108571.9655 107480.1923 102326.4239 95306.4996 121342.2257 PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature3 PC 17:0_20:4 44980.0152 43364.1860 52212.2325 39132.1407 32318.7391 69560.1472 37213.6133 55333.8392 42741.5165 48627.2347 156.1574 158.0779 162.8098 147.8644 149.3944 144.1791 45789.8737 49488.6286 45279.4358 46225.4517 44998.2220 46270.9868 47091.0069 46234.3338 47577.5206 47888.1662 48358.9615 42392.9169 40746.8210 40234.6147 54100.3648 36353.6368 47546.4717 44509.7283 44477.5409 58479.6670 44225.0649 45489.7157 40658.7169 34269.0613 41630.6972 59761.1767 35497.0989 54449.5091 52523.9097 49898.2462 50067.1695 37211.2092 40497.0109 55869.2549 34870.8149 47501.5751 48264.0665 48300.1860 47494.1198 50347.6198 49720.1630 45951.0612 45032.4332 40262.4584 48337.9986 35119.9118 34912.7023 51393.8819 57058.2916 43896.1205 52918.4237 52391.5358 44328.0118 PC(38:2)>PC(18:0_20:2)_M+H2CO2_feature4 PC 18:0_20:2 23525.4658 22585.5457 31827.6630 25158.8419 22189.4210 39938.8079 17250.8107 20340.9630 21668.5462 26871.8165 175.7873 175.0732 181.9698 171.8530 194.6413 209.5309 29937.8114 29670.8511 28541.2345 24684.2020 23487.5546 29498.8820 27098.8623 25306.9347 33538.4704 23097.3843 28588.2727 33478.2923 37655.1316 29458.8961 28828.2203 17583.1782 22491.9137 28843.8300 21842.4530 27554.9770 20046.1812 21317.9454 16157.1172 18292.6883 25025.8172 29446.5851 17030.9525 32688.6800 27007.0092 21029.7187 20502.1434 16482.6382 21721.9462 40768.5309 24784.9569 30387.3983 28245.5970 36618.5136 19611.6661 31195.1333 23906.7735 27980.4700 25752.3489 30622.2367 28466.3265 21767.0762 27404.6782 36881.7659 30222.6376 30474.7125 30368.3613 31157.4165 47216.7743 PC(38:2)>PC(18:1_20:1)_M+H2CO2_feature2 PC 18:1_20:1 42478.9488 47156.8588 49029.9350 35004.8746 27378.3781 48553.1653 36057.8830 45354.4676 32272.0375 35209.1693 290.0348 215.9985 206.5833 211.1013 216.6444 211.2166 44261.9825 38440.4264 39593.8705 43732.8045 47346.3788 39488.1381 39947.1573 43036.7223 41499.1744 35565.1402 39616.5681 28231.3954 32163.1725 45711.2332 66419.1510 35177.5030 50620.2892 40560.2006 42534.6894 56523.0595 29029.1370 42073.3663 40801.6794 39225.9831 32411.2195 40697.4116 30654.1910 48419.1032 36942.4912 36808.1189 45849.7300 36916.5318 39827.1095 55611.0254 31770.3911 45405.0184 34295.3566 46926.5911 43666.6759 42052.5682 45838.8340 37105.2315 35613.5910 45769.8287 56338.7936 35180.0079 35720.2519 52649.1264 66891.1604 36443.8908 40030.2921 46633.7593 38996.9784 PC(38:3)>PC(18:0_20:3)_M+H2CO2_feature3 PC 18:0_20:3 120973.1520 139906.7533 161393.0328 135671.4433 94523.2097 123841.1157 61845.7098 97207.5777 90361.7056 98485.0796 170.9633 210.1761 222.0538 155.1826 150.5492 234.9293 121931.1614 105033.0478 116066.8949 120208.0184 110865.4078 115402.5814 113407.6855 119734.0453 112775.8298 88481.9733 87085.9954 103369.2179 89927.1114 135388.8847 136792.4436 91402.9361 93634.5927 110375.0775 89888.8339 88688.3701 76887.6411 86678.9529 90863.7476 105850.7463 95808.6964 127281.7435 85611.7196 150798.0509 102152.5521 85434.3578 96308.8853 75123.2370 74525.2668 162503.8946 124759.9724 146506.1524 137332.3619 183561.3371 81286.1590 115471.4932 99595.9085 109031.1318 102748.0061 165030.9242 142972.5240 132746.5016 123710.0690 183406.9995 131087.1344 114698.2461 124017.5390 124443.8354 114314.9700 PC(38:4)>PC(16:0_22:4)_M+H2CO2_feature3 PC 16:0_22:4 425095.9318 458484.5763 529214.6045 422184.2618 333649.1155 596551.0358 329522.7761 531795.0488 436551.3477 456329.0935 178.6728 171.8712 177.4003 149.6873 143.8020 176.9418 450560.5248 456026.5710 445932.8888 437205.0296 419287.3612 441174.6583 419129.2821 471722.2913 454398.9451 363036.6491 327478.6747 352228.3238 301479.4597 453432.6145 468915.4217 316471.8656 418482.0668 412683.4293 416641.3443 546958.3677 430697.8360 448825.6510 398133.1135 359814.8674 402411.9804 506331.0207 336685.1134 503883.4254 483596.2924 436933.0037 503160.1761 365003.4462 403159.5129 525635.5521 350570.2944 438968.7302 428684.3962 503537.7783 401191.3828 403565.5330 430769.8861 459797.9315 438039.7255 418728.2542 472160.7217 348216.3664 354639.6632 518783.9062 499797.5599 371682.3366 479625.2332 489583.8480 400252.6479 PC(38:4)>PC(18:0_20:4)_M+H2CO2_feature4 PC 18:0_20:4 2281363.9540 2447127.0980 2799485.1640 2222932.9360 1864719.4230 2928162.3830 1574038.2980 2276901.0810 1965907.0770 2350559.8920 161.1366 453.4801 780.4457 232.4160 337.4077 1311.7458 2255135.3140 2234254.9420 2158225.3110 2143973.4990 2207241.4190 2237514.5580 2209574.8270 2218389.1060 2215826.5940 2031935.0170 2065034.7460 2047883.8200 2066233.5370 2423343.6870 2558845.9400 1871052.7920 2323047.9340 2138173.8770 2003575.6200 2492298.6720 2157175.9700 1877822.6930 2015736.9430 1892968.9680 2191754.6100 2822229.4700 1932433.6530 2947670.0940 2364504.5820 2172001.8680 2173551.3230 1712996.9310 1893611.5120 2969266.9170 2068598.9410 2409468.4280 2367388.4020 2611641.0280 1985380.7530 2000114.6510 2206047.1550 2118762.4130 2098659.3730 2174847.0330 2637449.9540 1903688.5390 1864765.4160 2659228.4950 2307707.2770 1778547.7280 2507823.0580 2181315.8990 1782526.4390 PC(38:5)>PC(16:0_22:5)_and_PC(18:1_20:4)_M+H2CO2_feature3 PC 38:5 649499.5427 685268.3944 826717.0640 631169.4705 500558.7926 866699.8338 516008.5538 739931.7417 564734.8139 663929.1741 182.2607 198.4671 182.7154 160.6764 163.8725 189.5155 615355.4262 634846.4130 634895.3667 624645.4216 615617.8343 623429.6751 620511.8820 632121.2629 626839.6945 608169.6234 573417.8475 539535.5870 489191.3609 659910.8505 685450.1103 473871.7243 572317.2060 571403.8563 582435.9346 703493.4500 595800.9944 572034.1508 583794.8964 512416.2787 559909.9770 671020.5922 467978.7341 690319.6781 632919.0730 633474.0518 652314.9291 498952.4938 544359.0481 777475.3483 561634.2608 654128.2150 681430.9607 712192.1071 601635.2678 639087.8447 652096.9961 665256.4548 676698.8366 654287.5250 695860.3987 553672.4190 533364.4335 720188.7868 735825.8262 531134.9250 673162.8115 680157.4386 564147.4699 PC(38:5)>PC(16:0_22:5)_M+H2CO2_feature5 PC 16:0_22:5 92125.9541 112226.4336 149194.8319 104407.2869 76781.6793 101094.6001 52682.7614 92068.5792 68319.2701 88472.7125 156.8704 144.7240 147.3784 132.1961 133.8748 125.0056 91799.8618 90675.2093 87518.3271 91174.6856 93290.9587 86097.9261 94017.2587 91666.7113 88652.1497 57559.4746 52417.6855 51268.3228 46001.9968 104213.6794 108228.4905 70078.9876 89565.1702 92276.3533 68193.2726 80606.8298 71526.4007 80348.6138 70094.6869 74131.3738 90716.4594 118770.4601 68202.3037 111592.7866 79939.0121 66812.9012 98310.1834 57398.3875 63888.2294 135161.1068 86874.7115 116139.1555 117291.7689 128406.2859 82929.2013 94318.4277 72691.4330 85555.1313 87636.4310 115932.6711 128395.8026 92813.2391 83310.2146 118940.1033 78805.1076 61468.5495 82819.1437 85362.2208 68539.2277 PC(38:6)>PC(16:0_22:6)_and_PC(18:0_20:6)_M+H2CO2_feature2 PC 38:6 533467.7575 575694.6526 727917.4861 554576.3219 449477.9116 615256.6363 362481.6616 554805.8574 396980.7940 515396.8246 145.7655 141.9674 144.4590 128.7672 127.1794 130.2417 487725.4492 499058.2272 478484.6197 491470.3796 492480.8566 481922.1623 485862.6060 486252.0259 497731.6187 355962.6320 360120.6757 310207.3912 307608.9681 498718.2701 585883.1109 353243.5960 468276.0071 452155.2322 434581.7987 488713.2031 438362.6115 452690.4793 409768.6867 357909.6626 447932.4491 539640.2249 353999.6366 527682.1177 452906.7473 470102.5671 565942.1389 352794.3931 400001.4948 641449.6894 451467.2970 520137.4020 581684.9970 636958.2340 463563.7079 469603.8597 482933.0112 537999.2150 499470.3827 506137.8184 572883.4526 376231.7177 377188.2563 524416.6682 419228.3565 296557.8914 407240.5882 455778.5357 349151.5783 PC(38:6)>PC(18:2_20:4)_M+H2CO2_feature1 PC 18:2_20:4 265003.2951 257064.5930 370174.5605 269352.3496 195133.3293 336740.1725 182495.9533 263535.6689 211321.0576 243510.1829 150.7954 156.7774 153.9422 138.9643 140.8794 130.5398 248582.6268 249344.5907 251186.6289 250992.2875 251110.2740 249871.9159 244922.2032 253100.3186 249634.5487 231280.0377 232612.0783 187688.6997 190973.8516 246068.7170 257151.0712 177818.0965 234941.5817 227890.3111 221491.7788 277961.4614 214795.0740 238769.2540 190829.5023 176414.7242 206741.1925 261845.1376 187293.3010 276970.3107 237437.8955 228767.7475 227352.5356 181603.7387 187327.7114 322218.2385 203546.3397 276238.4752 266353.0254 319597.1213 250868.9209 297288.2466 248643.4928 253034.1761 275038.7760 278683.6676 290523.4832 240257.1014 220867.7736 335928.4346 301347.2181 224341.5869 273545.9069 309057.0457 249824.2566 PC(40:1)>PC(18:1_22:0) _M+H2CO2_feature1 PC 18:1_22:0 42088.5886 43153.0889 52875.4756 44864.9635 30926.1698 60107.0545 34439.4058 50114.6864 37933.6249 45442 162.5873 190.3945 173.5857 146.1418 167.7629 168.9528 50252.4904 46421.2250 51095.7824 45780.9202 39247.2191 41605.1173 46938.2247 49742.7025 51677.6709 42739.5244 44469.6931 37717.0037 38156.9426 44866.2045 52968.8081 33801.9443 41301.8997 44116.5159 38828.7064 52136.8859 39609.7176 39319.3075 38339.6860 36113.9086 43693.5837 50294.7882 36552.7819 55192.8572 40945.4611 42514.3839 45711.5038 37441.2270 39705.6429 57604.3005 44327.6401 48231.3510 53102.8939 57553.5663 47455.9060 51528.8233 44650.5690 44707.5577 47757.3957 45871.4043 53662.7017 44541.2375 39561.5245 59253.3221 54386.4693 44249.9808 50334.0556 57519.5138 48555.2658 PC(40:2)>PC(18:1_22:1)_M+H2CO2_feature1 PC 18:1_22:1 27390.6711 30377.9038 34253.7230 28264.2443 19241.9654 37123.2948 21451.7939 24747.2833 23479.7693 22813.6327 177.1753 172.2275 170.7718 143.7918 172.9172 215.4993 29408.2371 25920.4586 22844.8010 24769.1786 30581.9989 26338.6960 27947.0591 28568.0187 23778.6737 29449.1084 23142.2395 22943.0890 17012.4382 30155.6531 31702.8732 13742.3864 26558.7117 29925.6128 17910.0238 33216.4928 26022.5282 20678.6390 23672.0903 23783.4008 26710.1066 34382.0887 22929.0848 31686.6010 30353.7579 30573.7151 29121.0043 20962.2249 24305.0149 34217.2297 27524.7615 27248.4505 30297.2517 36976.2966 26768.4957 30937.8193 25535.5733 28922.9087 28441.2080 31546.5090 35295.2213 25178.7853 22633.2868 42889.5085 36830.9768 28979.5991 33634.3112 35760.4153 29694.3958 PC(40:4)>PC(18:0_22:4)_M+H2CO2_feature2 PC 18:0_22:4 185155.3414 205070.4492 242998.7968 181605.0684 154393.3785 276230.5508 140168.4684 225113.7278 180092.8691 236006.4402 159.7872 159.2166 158.7078 144.4861 141.3389 146.5172 199653.2367 212675.0466 202894.1635 206187.7761 199836.6665 199583.5161 198526.4649 207909.1653 208806.2010 168815.8091 158499.4065 172285.5392 164125.5288 233690.0547 222906.4941 163396.8013 201293.5374 191323.3591 196430.1992 252878.8555 207675.9739 192847.5101 186131.8184 167387.1210 199726.1898 269672.5056 175340.6853 263198.7714 241563.6859 195369.3742 239166.8685 163605.6990 197853.6755 265652.0148 187487.6176 201670.2848 196984.1141 247602.3502 189958.6854 177546.2174 202768.3016 211207.7795 208616.8708 173610.2156 231983.0015 152315.9004 148773.9132 238865.9645 233891.5201 167742.8416 251797.6260 207572.7923 172897.0026 PC(40:5)>PC(18:0_22:5)_M+H2CO2_feature3 PC 18:0_22:5 134966.4254 149830.8606 189014.4237 133765.7800 114498.2320 200607.5000 107713.1687 157590.2441 129254.5975 175199.9023 209.7046 213.5616 200.8970 191.2437 188.4280 183.3725 148602.4737 151276.6504 146019.5603 134344.0356 145853.1042 149345.8122 145440.0510 147583.7115 148211.6532 128013.2212 137173.7431 128334.4597 135812.6263 150196.9783 164175.6755 109629.3238 137509.6911 129950.9059 134945.3602 169005.5478 144714.4513 132962.6831 134479.8116 97396.6898 127094.5230 160074.7417 106602.6477 162060.5822 158017.7075 153152.9509 138794.9224 117562.5023 125381.1935 175272.5998 127617.8478 166984.1096 163211.2842 180380.5774 151208.1062 152949.1038 169006.4224 158906.3956 155842.2164 153796.7225 172092.9071 130555.7607 117596.3015 186460.1401 162097.8386 122944.0290 171275.1225 150822.9841 128717.7177 PC(40:8)>PC(20:4_20:4) _M+H2CO2_feature1 PC 20:4/20:4 106021.3903 85231.4920 141795.3878 98908.9125 70121.4192 123540.6914 69450.3600 108124.5724 80841.3088 86894.3765 141.4403 151.9947 147.2494 130.4477 139.9400 143.3342 84122.2766 90937.4515 86234.0127 89027.5510 86050.9620 85501.5065 85033.0359 88205.5948 88325.4217 80045.1170 75607.0421 60278.0560 58273.5459 75813.7071 83028.9927 55117.2726 87279.5951 79914.4841 82071.3296 99560.7520 77218.4037 94089.2455 75355.7781 61436.0925 72711.2944 94352.8029 67409.2385 92127.2137 88863.7086 81327.8899 97205.5745 64598.0101 77982.4348 116695.3137 72529.2115 87170.7205 87118.7479 105507.8398 93472.4362 95717.8574 81851.9996 92590.5132 100720.2548 86438.5976 104807.5806 67659.0014 70474.5025 112093.7016 93819.8898 75377.0831 90337.9856 106183.6219 76706.5788 PC(42:10)>PC(20:4_22:6) _M+H2CO2_feature1 PC 20:4_22:6 51676.9109 40237.8455 67150.9143 42839.7545 33188.2285 43989.8600 26148.1001 38531.8393 27153.9417 31814.4507 127.9535 122.6502 119.2509 113.2513 112.7478 114.2647 36557.8770 34528.5930 36965.4520 36330.7526 33825.9378 36241.2682 35486.2131 37044.6841 35402.8344 24423.5662 22684.9611 16423.6941 17922.7403 35244.0766 37154.8440 24278.5562 38794.7475 36880.9947 29739.6911 36137.2623 31157.7040 34067.4486 31636.8214 25899.4805 33029.2340 39342.2249 28896.7585 38789.1533 35001.5557 30871.8654 38666.0836 24775.6630 28671.0357 55183.8375 37198.1409 43918.1707 41846.9721 49383.8410 35875.5576 38421.6371 31557.0359 37134.7488 40801.8434 38446.0041 47377.7965 31405.5490 30577.2945 46742.9353 30122.1414 24228.0460 30351.3410 34449.6580 24566.1325 PC(42:1)>PC(18:1_24:0)_M+H2CO2_feature2 PC 18:1_24:0 22196.6167 24042.3657 26885.7479 22935.7935 15006.6383 29993.2288 15145.6900 24417.2854 17970.6014 18914.9160 151.5933 162.0571 146.3018 128.3086 145.2568 125.0734 22708.6525 23858.8767 25497.2416 23326.4107 22888.8908 21460.5568 21834.5635 23200.8206 26022.0317 19729.6656 16114.4919 16231.8885 13505.0241 21332.5029 29481.9692 14217.6991 19341.3588 20856.9656 16787.0395 23548.7362 17577.8056 18143.7544 17711.4701 20179.1983 19183.8792 22442.3528 17892.6478 29121.6934 21308.6000 18544.8250 19868.9738 15753.0563 16677.9534 28906.7113 25458.9595 28178.8305 26059.3758 32403.8971 21810.7204 25129.1238 19536.2743 22159.8871 21640.2364 24118.2641 26793.8611 20898.7069 19095.7146 34355.1299 29588.4058 21315.3190 24864.0142 26150.1967 23239.3332 PC(O-32:0)>PC(O-16:0/16:0)_M+H2CO2_feature1 PC O-16:0/16:0 315416.3183 347266.3773 412114.5523 302364.9780 263148.0143 437710.1684 290303.1912 355461.5573 302127.8599 324823.5127 163.0230 163.6614 169.1529 169.5365 162.5306 204.9865 325773.8366 330937.1234 343506.1596 331427.0711 334965.7881 322480.5136 334974.9546 336767.8323 328072.3880 303403.5042 317342.7294 245177.4776 250030.3478 309101.7799 410289.5374 246820.2228 311348.8219 338431.8697 301099.5538 388526.2277 342702.7770 332830.9952 307870.9842 265093.7185 292900.1276 359212.6898 241627.5801 382312.7999 326848.8645 328001.2685 346995.9402 256207.0881 293132.4036 422182.2528 288813.1824 368935.0620 374542.4029 423598.4399 309426.7860 364004.0914 305010.2426 359232.6712 324143.8601 343959.5463 389310.7304 313040.6998 284021.3274 418026.8927 391757.4276 289225.4611 344922.9300 408955.4802 323629.1307 PC(O-32:1)>PC(O-16:0/16:1)_M+H2CO2_feature2 PC O-16:0/16:1 437894.9943 551081.6637 655350.4876 534702.2187 439928.4520 741020.1392 504078.5041 615947.5625 485498.2860 537133.4126 179.2805 262.6161 253.6062 165.5695 258.6710 231.2263 596207.9366 625228.1030 583830.5113 601263.6761 577213.1348 554635.3697 583707.4915 648482.2672 594772.2869 604637.0315 534483.5301 446768.8286 438877.5128 570890.7471 675696.5211 434218.3180 518607.5768 557955.1284 542665.4211 735216 524877.8917 557487.2107 561975.4848 460884.6187 502486.2191 607886.6809 333596.1598 666930.7800 625640.5869 628540.5992 634388.5828 495055.6575 523932.0628 651827.4101 530672.1039 644040.3303 629070.3318 754773.6970 660071.0348 691069.6156 585265.3077 640041.4237 613054.7978 581570.1620 686978.7443 536289.5668 496869.0521 762059.7349 755603.6224 567995.8205 708703.6966 718526.1476 639396.6280 PC(O-34:1)>PC(O-18:1/16:0)_and_PC(O-34:1)>PC(O-16:0/18:1) _M+H2CO2_feature4 PC O-34:1 19781.6427 21108.9078 28561.0087 21983.9697 17728.9866 37984.1047 23058.8842 30151.9410 22108.3514 26116.7892 163.0853 240.5853 172.6065 132.3230 236.6000 197.6342 27797.9427 26802.8450 27273.5017 26437.8382 26333.6079 27384.7422 26709.9329 25992.8966 28524.7987 38339.4631 36084.9775 25653.2380 25161.7962 25880.1232 27604.0170 16373.6195 21853.5161 25138.8284 23372.1779 38843.3586 25035.7236 25201.9601 25480.8272 19672.8463 22271.4143 28275.4241 20294.3962 34710.4291 29141.2486 28908.5205 27630.2946 22252.3537 25367.7672 29734.4000 22318.6433 28985.5605 26823.6822 37122.4075 29788.2099 32317.8618 26927.6851 27763.4562 27129.8883 24113.3683 33974.1247 21646.8830 22820.9412 39409.2245 36419.9066 27643.4351 37386.0204 33924.8532 33480.1280 PC(O-34:1)>PC(O-18:1/16:0)_M+H2CO2_feature2 PC O-18:1/16:0 318693.5791 327344.0266 375696.8424 286511.6622 243164.2164 400973.0325 253000.9962 301500.5632 254752.1236 278030.5262 200.0038 199.3921 207.2474 188.1967 190.0600 194.4352 318115.5936 313829.8366 306765.8686 308142.7128 332422.3832 305660.1285 314152.3083 315269.1955 313579.9675 285532.1387 282861.2737 227511.0521 230350.7400 298526.8780 394442.3598 222809.0460 315321.3649 341774.8551 274259.8367 380335.9698 305398.6600 282304.4681 271309.3525 263999.8220 275353.9461 374784.3665 254710.7661 373109.9677 314882.1147 320321.9620 319857.8348 243267.4925 276674.0268 404655.8100 254559.9082 348974.8460 348177.3738 383499.5170 288354.9539 330256.4552 290589.2492 303725.8490 281577.9447 302904.8192 372114.8851 264560.3251 273250.6770 402129.1574 390588.3201 272247.4113 335633.0196 384415.6228 292001.0617 PC(O-36:4)>PC(O-16:0/20:4) M+ H2CO2_feature4 PC O-16:0/20:4 378638.2657 350348.6544 423760.5330 320954.0550 228298.3931 350769.9358 211010.6853 328452.4395 243102.8018 260335.9904 164.8058 160.0202 171.6719 140.4934 143.6719 166.0565 281198.8017 279593.2849 275421.7638 276249.0637 260984.0307 259509.8852 268609.0005 283837.3110 287689.9574 186708.3394 169978.5409 152734.5168 143153.8570 267379.3696 304136.4585 188975.1294 333121.6406 246287.1595 222172.1207 279337.1695 257456.8072 263785.4099 212641.1013 222591.8484 230874.6911 287493.6730 188402.4634 297879.0417 252152.9713 239211.3765 271206.1886 190198.3792 203529.3531 304817.2419 228521.0960 288230.7203 300100.2120 345144.5836 249086.6763 260093.7247 269423.3224 279933.4351 267541.0217 349535.1623 304414.7448 289311.3591 275401.3902 357920.7873 269575.9551 215949.0635 250258.5138 293818.9909 231557.8962 PC(O-36:5)>PC(O-16:1/20:4)_M+H2CO2_feature5 PC O-16:1/20:4 291537.5039 368426.3633 393458.9456 305157.3882 251103.6700 479842.4512 265604.1368 371587.1341 298197.2132 349585.5859 167.9934 157.9935 166.9990 148.8223 146.3947 148.0056 338561.1057 344869.6307 336921.1180 334495.6229 327528.9511 339158.3169 331988.2288 334842.0134 349508.4184 290665.1218 290077.5223 271206.3154 266580.3584 357405.5876 409016.1212 266101.5210 336102.8776 302856.3320 339023.4221 420643.7386 320677.3677 330644.4239 299670.6236 275957.7920 294095.0121 411133.4595 259485.2131 424925.6234 340853.5841 353478.5763 373690.0391 265723.8503 305551.7941 442992.5811 298916.5749 372473.4104 366365.9124 408456.2086 334923.2264 342396.9368 341217.8046 342141.9175 335143.3139 333822.8278 367945.8607 263380.8733 264578.2249 417417.6361 390017.1298 282385.3647 339142.4676 378070.1531 327937.9806 PC(O-38:5)>PC(O-18:1/20:4)_M+H2CO2_feature1 PC O-18:1/20:4 196660.5049 185805.5196 225696.3544 169289.2360 129032.5928 197458.7681 120185.5451 169438.3803 135009.5812 148617.4966 165.6347 159.3135 169.0234 138.0049 128.9473 163.1114 156090.8278 165145.1621 157086.3716 157362.4635 150463.3569 152856.6609 154972.4020 157885.6292 165092.4725 130610.7825 115973.7078 100740.3003 93533.4378 154978.6378 178479.6822 106216.2368 178602.9066 159703.0761 129432.8695 183710.0649 150432.9976 142497.7279 132637.2871 125330.5829 132225.0266 180877.1144 120452.6289 179482.2464 151093.2444 154289.7406 157670.7987 111415.5831 130895.6637 192631.7182 130985.0174 160057.6356 165557.0539 191443.0495 149158.6089 152027.0537 158525.6453 157753.6194 146181.5717 176842.2712 183313.5602 151701.8815 146926.6921 200592.4711 183635.8161 122279.4574 159347.6738 173201.1446 125052.1385 PE(32:1)>PE(16:0_16:1)_feature1 PE 16:0_16:1 84050.0459 63469.4768 102479.2420 71923.9922 63069.0693 71504.8345 46838.4511 57890.1172 58759.6875 52141.2050 169.0634 164.1857 166.3051 156.2056 156.3908 155.6281 59929.1367 63459.3724 64655.2417 59243.7795 53929.0358 76375.8246 59407.2770 60434.4054 60127.2860 46724.4395 47064.5967 48020.5122 54045.7711 85427.5565 71546.0359 59841.2771 68290.6225 50437.6193 47541.4581 57884.6277 64663.6568 71179.0732 61888.5020 42807.3681 52489.7247 60115.5752 34034.4157 56402.8971 45200.8034 49558.4391 55271.7087 59480.5370 41047.0142 45246.4659 51120.4781 71148.1717 75760.7100 79368.3952 88486.2640 76944.3577 45952.6400 79966.0720 83373.9683 86321.7218 69082.3635 87192.7104 70829.6897 80759.8070 63471.8419 69019.3502 65833.7736 68523.1143 69199.3592 PE(34:0)>PE(16:0_18:0)_feature1 PE 16:0_18:0 73551.1821 84154.4281 94567.3457 46618.2622 68916.3582 104156.0896 65587.6990 86025.5229 74819.6598 84625.5011 194.7737 195.3107 196.7999 180.2510 175.2031 179.1284 77677.8979 79542.3929 90235.6011 80127.0283 84934.0013 75272.2797 80910.5549 82742.2429 81700.7856 72497.4858 73936.7712 56202.0553 53318.7165 75330.7470 94298.7985 59116.4952 73937.9149 76256.3847 74859.3674 100950.5902 70708.4014 81663.1098 76753.8146 69038.1240 70732.0079 86901.6288 62385.7933 93806.2301 88322.5166 83385.9945 77275.1229 65660.6805 75378.5215 90956.2494 64705.4469 91195.8365 94062.0781 91533.5672 76966.4484 80022.4230 83397.5457 80359.3792 76590.2559 76178.0256 94671.0084 75007.3633 70168.0345 84712.9086 89656.0659 70231.8003 89281.8023 83364.4195 77215.7398 PE(34:1)>PE(16:0_18:1)_feature1 PE 16:0_18:1 670148.0054 697581.2237 882063.0071 686239.6368 525880.3228 896429.8920 540209.3855 666760.5067 614367.8169 597473.2423 184.0399 178.5197 181.5225 176.3742 173.7418 166.4328 657354.2593 669878.2375 669376.7263 668462.2199 641005.9391 658949.1965 636324.0388 684504.5548 670099.8375 579530.5580 576068.8053 494010.5700 503203.2554 685968.9583 850345.9630 510919.5893 619540.3438 616753.7099 603412.9069 731567.7576 543551.7741 604688.5407 559900.9107 531796.2964 572981.1517 744273.1774 456494.4607 759630.5350 633552.0437 637935.6846 649145.0945 483797.1680 524664.3175 761599.0816 570248.3498 761450.0114 738267.2579 837119.0617 613920.1391 618133.4201 588076.8724 639400.2905 614049.0604 673844.3464 737330.2943 620572.7587 552917.1355 794561.8913 746599.3510 599817.5827 709954.0523 760170.7676 658201.4846 PE(34:2)>PE(16:0_18:2)_feature2 PE 16:0_18:2 346146.8437 379159.7079 432671.1448 335286.4787 256775.6040 484337.6410 269296.7185 345886.9105 359728.7538 312803.8016 676.5170 644.8659 663.1049 582.9209 615.5464 570.7194 366582.7478 356397.4943 314035.4844 320152.8446 340278.8380 336253.8194 352543.7572 345767.0163 350518.8199 320737.4390 320722.8093 268461.0858 286323.8884 309934.3424 469977.3993 232823.9956 262649.2876 270453.0856 334960.1778 376142.2882 290217.3311 319141.6284 302548.0053 262162.7092 262663.4280 324835.5680 208236.0730 361938.6251 328153.5489 336764.8583 318840.1893 260179.7423 265301.8886 377081.9661 244498.8504 383109.6235 349614.2300 463850.5788 352714.6791 400051.7021 338835.6465 367743.4987 335867.8064 360080.8375 379511.8137 302852.8354 270734.5664 436533.3039 441072.7434 289285.4683 379920.8494 437364.3655 391645.9335 PE(34:3)>PE(16:1_18:2)_feature1 PE 16:1_18:2 26767.6444 31006.9974 36251.7059 32857.0464 22566.2438 35730.7842 20037.1802 29756.0416 23901.2134 22998.7292 155.9604 157.4711 158.8142 142.7938 135.9281 139.3250 28366.7743 24914.4251 27069.6644 27870.5651 27621.0324 26462.5353 28095.9765 25223.0562 27825.5581 24276.9894 23789.3002 19747.2607 18449.1885 25583.0006 35492.9242 16479.4099 22689.9925 25589.3829 22571.8455 26882.7563 19987.7192 24091.9200 20104.0152 18053.3563 21416.1341 25515.6783 17756.3819 28982.5310 24934.8117 22186.0515 23106.0313 20369.4281 18724.7484 30320.8526 23974.3842 34150.6819 32229.8585 39842.8398 28621.2116 39460.8763 22381.1333 29279.3249 27507.3069 33081.5276 29814.0835 30825.1801 27575.4033 40890.1375 28902.6942 28181.1513 27374.7157 40835.9482 33514.2191 PE(36:1)>PE(18:0_18:1)_feature1 PE 18:0_18:1 29201.5553 28189.7646 34665.3051 29358.6998 22509.6446 35768.6157 22986.9584 31174.3931 24160.5873 24881.7655 184.7662 183.9480 199.0975 168.6782 179.7781 175.2965 28549.8309 27173.8087 28495.3903 25730.6751 28112.1344 23644.3217 26828.9131 30640.1860 27547.8436 24177.6193 26342.5748 21917.6925 19138.7308 25340.7954 36960.5286 22720.4707 27178.0422 27848.0260 24257.6374 33153.0034 26191.5643 27472.9899 28330.6574 25769.6820 25344.4505 29608.9468 23227.5351 30438.4270 26798.4808 27205.7153 22677.3057 20714.4379 25565.1538 28510.8082 25034.6858 29494.7801 30249.4747 32797.2938 24713.2653 25148.2191 24076.4711 28465.2266 29690.4850 28465.2677 32745.4972 25285.9242 22590.6334 33190.9602 29935.4161 23543.9257 28798.0652 32360.2557 23792.5474 PE(36:1)>PE(18:0_18:1)_feature3 PE 18:0_18:1 1257420.0820 1340897.2970 1567868.6180 1223667.3590 1003337.2190 1708035.2340 974650.3784 1329623.9390 1165602.4800 1148071.4810 149.5098 148.8260 140.0506 158.1325 363.7367 147.1169 1277850.2170 1253289.8290 1250100.9830 1308837.2150 1251517.9770 1304415.8100 1251757.6390 1269479.9480 1263798.7910 1158607.1460 1164551.2970 913781.5138 940161.9382 1317121.7070 1652624.3930 964487.8902 1254683.7450 1305416.7360 1101737.1450 1459253.8700 1042699.6040 1184065.8720 1008780.5490 1057051.6450 1124810.0770 1503495.0830 994325.3083 1577866.1630 1258185.5240 1248432.0740 1239035.0540 938620.1039 1042240.5240 1704340.8770 1077934.7110 1455893.8850 1465390.6250 1676347.5980 1132815.9120 1251418.6370 1180731.1680 1289216.0290 1224645.7930 1245990.5900 1467966.4600 1131317.7730 1098179.6930 1615421.9660 1523981.9510 1086736.0730 1394615.7210 1508528.8350 1187284.2690 PE(36:2)>PE(18:0_18:2)_feature2 PE 18:0_18:2 490813.7879 594142.2337 587422.1676 511255.2892 412130.4278 671325.9729 389471.3503 516554.4131 424392.3229 500499.8961 160.9303 158.2516 172.4911 161.5909 160.2607 195.2999 507920.7316 525945.9668 525010.1380 501755.6309 524683.0630 510282.3256 531477.9256 527410.7432 499471.7020 534994.1649 525835.5072 408724.5059 409919.5937 476446.6325 713619.0158 382002.7057 470929.3215 524940.8726 509522.9465 577031.6016 428165.3843 435275.9897 418656.6289 400733.8993 438913.4655 590010.8970 365751.0850 580269.0134 581979.5576 498108.2540 467527.7575 400446.1563 439884.3914 667462.0306 443589.8980 596164.3798 595579.7197 691057.4214 468387.0179 622599.9346 518391.2475 532330.0668 482620.3459 546599.5903 595779.6636 492720.0623 488864.8458 676973.8718 620147.1923 503093.4433 591400.3397 628510.0259 532110.5014 PE(36:2)>PE(18:1/18:1)_feature2 PE 18:1/18:1 324986.8641 347177.7450 410381.2011 310249.3145 244640.6388 391438.9812 230663.1645 299745.6921 284306.8101 270307.6289 185.7309 204.8648 191.0433 167.9534 264.3486 163.3588 336808.3130 334298.9863 320846.4255 331682.6909 299229.1539 341264.6808 314714.9984 334366.2022 339248.0286 329494.6719 326546.7116 268586.3901 271223.0440 355816.9624 428570.9507 273878.6383 331270.7953 309983.6329 290418.3209 378528.3582 261059.7735 306579.0887 261880.8154 276417.9150 287555.4392 390325.5111 277935.2877 390703.1716 288687.5387 332681.8251 297673.0284 233726.1582 258018.9025 426158.1984 298831.5532 398212.5585 360489.2517 413497.4359 298786.5186 303970.1985 291730.6538 284342.8211 312463.9321 319607.6402 408718.3313 308889.4554 280614.0349 411227.3561 432678.8404 292025.5491 346395.6825 396436.3568 314401.9979 PE(36:3)>PE(18:1_18:2)_feature1 PE 18:1_18:2 211672.4808 277980.6906 264216.1280 243023.8812 163100.4993 274239.2143 162133.8750 211837.0888 180140.8033 214478.2578 164.1569 165.9706 170.7279 143.0464 154.6341 139.1668 231301.6456 222830.6840 219056.4227 222011.6367 228759.6433 218443.5697 211400.2149 242286.2689 222005.7203 243966.3415 252006.7380 189661.5390 192653.7059 200801.8346 299330.1861 151696.9458 210670.8186 211343.1215 254397.4323 263663.3505 184543.7824 196786.4047 173463.0956 170683.1417 198020.4538 248327.0880 157168.8313 241340.5928 250123.5378 256252.7290 200909.9297 171461.7814 178251.6484 322547.9557 187805.5929 254972.7263 251428.7741 287906.3015 213507.4752 265202.5240 203679.6567 241938.5883 220040.2929 219137.8415 252809.0862 220457.6821 208431.3407 285751.4602 277395.2400 206135.1498 239469.9135 282847.8197 223173.3696 PE(36:4)>(16:0_20:4)_feature3 971099.9150 1064011.8640 1312809.4550 943570.6339 724333.8579 1314996.3490 779805.2095 1091304.5960 874064.6420 1003141.8930 149.0788 144.7996 140.5901 130.8109 130.4001 157.8302 993020.7013 966518.5912 926003.1378 944608.0477 917638.7703 954269.4274 955536.1655 987336.8338 959888.9164 840571.4871 777873.4876 707933.1463 719703.9900 988604.7712 1153093.6940 675699.4387 879905.1566 825414.6488 913553.7620 1199029.6150 878940.5119 966496.7378 887991.9767 700792.8021 780940.8388 1046089.3860 615185.7457 1011361.4030 1027927.5030 956444.4756 1104350.6110 781033.3993 836537.2819 1030827.3590 756840.0294 1039178.9510 1005419.9510 1161517.3100 965645.9244 1001404.9100 955622.7444 1063470.6050 973407.0638 889497.6223 1058730.8410 813022.9408 748318.1018 1142062.1770 1073415.5820 785804.3911 1017303.0060 1172858.2810 920907.1597 PE(36:5)>PE(16:0_20:5)_M+H2CO2_feature3 PE 16:0_20:5 37776.6755 61526.8717 70630.9239 56458.9916 37435.6692 55345.0295 34295.1569 49258.8926 40948.7501 51905.0388 133.9898 137.3256 133.4572 125.6488 126.8881 122.9945 43498.3338 46606.6792 47962.2376 49255.8422 48835.3622 45566.9597 46099.1082 45070.3235 46600.4602 34479.2692 34315.3118 29129.5432 28520.0709 43899.3971 67929.4177 24499.4290 27782.9241 32635.3080 38033.1856 43934.0582 34565.9993 43930.6626 40533.7291 30715.3839 27023.8541 33017.9148 19082.0368 35477.6109 39576.8689 36489.8099 47135.4489 31165.7173 31729.2055 50168.3907 37404.2344 59893.4458 65847.3715 80758.7045 61222.8682 71921.0123 59166.4168 68732.3154 51257.7343 62140.0427 49562.5268 49764.1697 38543.7548 49286.5114 43025.6328 32098.4710 41395.2539 44767.0851 44602.8878 PE(37:4)>PE(17:0_20:4)_feature2 PE 17:0_20:4 21582.9427 25204.9323 29205.7537 21983.7341 16953.5818 34595.4183 18989.9445 28892.0699 21941.4528 23589.6977 188.9180 189.0442 190.0897 152.4111 147.8753 150.9171 25150.2837 25116.9054 21821.9227 28635.6523 24283.5717 24221.9701 26973.9134 24090.1862 24219.5434 28533.3459 24048.4649 26214.4096 23091.9581 24308.4531 31362.3879 15579.1595 22863.8774 24574.6822 22937.4978 30832.4608 21603.8049 24274.3035 22601.1239 18221.4914 21870.2459 26555.5446 16677.1199 26875.8480 29632.1144 26875.4492 23303.7428 18303.1299 21215.3599 25594.5194 19717.7544 26572.5049 24879.0054 24042.8438 28236.1993 26533.7465 28085.6843 25017.0086 23041.2297 23226.2581 26199.2755 24026.0927 20867.8769 29007.8299 31049.3830 25571.6437 28727.4982 29710.2005 26785.1173 PE(38:1)>PE(18:1_20:0)_and_PE(18:0_20:1)_feature2 PE 38:1 63943.6699 70876.2429 86275.6587 69359.2013 53432.6266 94164.9715 55044.6961 72730.5001 63020.5316 60555.7767 169.4582 176.0524 181.0085 147.0636 208.4846 222.9638 70301.6074 71436.6193 69508.8557 65800.1784 66654.9537 67000.6091 69016.7053 70376.5243 71325.8812 61581.2513 61320.4178 50994.0297 47589.8647 70837.8822 89970.3763 48412.1674 62036.1454 68294.5965 60513.1643 89804.8257 63663.6476 63789.3394 64931.4225 56887.8909 61948.8444 73702.3021 52340.7881 82631.7539 71293.5650 71025.5676 69517.8967 52637.8459 58676.2141 82328.6248 59563.1060 76144.4170 71764.5500 94402.8853 62935.1112 72943.7921 67556.2764 70475.0421 70490.4825 73313.1434 78688.3071 60326.8448 56120.5194 88335.8932 87525.3632 61522.6239 79057.2153 82662.9850 72620.9478 PE(38:3)>PE(18:0_20:3)_feature3 PE 18:0_20:3 166677.5859 184049.3693 213513.3914 175721.3445 124809.0600 180433.4226 91791.2409 134249.3334 121591.9657 121308.3961 160.2175 159.6465 159.1374 144.7921 141.6374 146.8258 157401.2041 157337.6192 151011.3037 155118.4958 148564.0675 156217.2985 154126.2321 157799.1011 155250.1620 131708.3963 102907.9333 113502.6756 107956.5448 176743.8717 210170.2415 125942.7094 159699.0867 157660.1137 113745.2884 137318.3944 105080.6250 114462.6120 106726.7602 141758.9635 138034.2096 170310.3070 123449.8167 200216.1480 127404.1324 117034.0863 120387.1655 97335.5639 95652.7640 212147.2521 150923.1352 204029.5591 196165.7839 247832.8056 111600.6770 147715.5599 129330.4538 135061.6321 144606.3542 208094.8287 192027.1260 182460.4082 153365.8621 243023.1078 172907.4354 140361.2247 163760.2542 180761.4703 157071.6694 PE(38:4)>PE(16:0_22:4)_feature4 PE 16:0_22:4 449166.3809 533929.1265 649478.7555 579535.6709 407018.0733 719352.7907 333014.4269 577222.0404 574123.9670 472071.3387 346.4399 338.9580 350.3781 299.3982 311.1155 312.5453 569729.7206 469721.9602 451018.1528 547333.6069 555613.1859 527272.8463 523011.7591 517753.2004 492983.2098 479923.9235 387754.7194 452146.1544 427347.0778 548725.9920 671612.1364 385972.7078 546768.5470 490294.7048 457981.1922 546955.9643 481575.4860 500513.6888 414116.5020 458083.7991 472876.5060 655115.6457 405244.5577 608717.0446 546443.8209 516796.4063 489058.4766 434275.7632 490936.8030 628656.4008 378242.9342 598220.1568 584061.0281 700142.6737 476071.9288 619058.1829 398981.8541 517140.4342 538426.0492 551207.7167 514565.3273 522500.3212 487261.0896 712424.6965 634519.3977 460231.4635 574257.3483 660261.2750 585253.0189 PE(38:4)>PE(18:0_20:4)_feature5 PE 18:0_20:4 3375672.5680 3524574.1070 4247821.1740 3519652.0230 2804085.6880 4398408.3690 2436824.6440 3539280.9970 2952505.3290 3465607.1510 286.6619 369.2435 378.3722 261.8740 409.1835 644.7387 3401210.4530 3536470.9270 3257362.1620 3442328.9720 3240767.8830 3340147.9880 3364132.1130 3387458.4260 3505679.9880 3273881 2952414.4180 2786295.8230 2785883.5440 3632687.1600 4173624.0920 2599357.7800 3474804.9240 3251997.9370 3149359.7800 3739446.4480 2954672.6520 3023573.3290 2913281.0300 2785926.1810 3001423.0360 4054054.7080 2693437.3760 4128200.0130 3618617.8520 3372462.2360 3215039.6530 2642691.2060 2782535.8860 3907504.2220 3073230.1960 3515905.7590 3575959.2780 4090742.1190 3008044.7300 3284016.9620 3230955.2650 3391126.2590 3299406.7610 3324844.2250 3812001.8320 3169626.3430 2996189.0170 4060037.7330 3793282.0260 3022389.4300 3748162.2630 3835477.5200 3157067.3760 PE(38:5)>PE(16:0_22:5)_and_PE(18:1_20:4)_feature3 PE 38:5 969276.5633 1087344.0730 1278334.7390 963000.4983 726097.3169 1376829.7530 679529.2104 1058059.3850 803194.9361 932152.0066 169.8380 156.6042 159.3920 136.7517 139.4611 130.1491 1004071.0240 999289.8365 936477.6913 986673.1050 933638.1137 945497.4525 999610.7346 981398.2285 996676.3913 911619.7600 897932.4617 756353.2467 749062.4260 948666.1547 1237365.6050 659410.8395 910199.8757 940524.7653 882252.7457 1116490.5420 780494.8485 885949.1388 783791.0593 741858.2995 817004.4111 1207271.4080 651752.4931 1132767.1380 989564.0117 946602.8043 962789.2582 687738.7168 759986.1853 1244655.6470 824912.4977 1182672.7510 1028460.6340 1201974.2550 931736.5784 1002136.0580 870715.8676 909828.3676 947643.0135 902981.1405 1129209.6500 828548.3679 760985.5212 1237134.9070 1207089.5660 802933.8070 1053777.1110 1221894.9390 936919.7977 PE(38:5)>PE(16:0_22:5)_and_PE(18:1_20:4)_feature5 PE 38:5 96650.9702 120410.9729 138725.9138 107668.2503 79851.0303 108351.3640 60823.6388 96443.1551 78952.8255 87114.3761 165.0172 158.7578 168.4743 139.5867 134.1172 165.0481 100965.7098 101014.0201 100473.0770 99336.3004 93017.4221 99710.5777 97870.6336 102741.1934 101212.4712 66305.9881 58700.3506 58377.3831 58988.5962 117236.0261 133222.9373 74640.2354 100316.0163 98734.5355 76090.9055 87290.6965 78915.2254 86551.7987 77265.6926 86549.5608 96406.9339 126731.6491 79589.6228 119668.5464 95950.2440 78324.5277 100597.1488 67972.6802 71920.4915 129310.3933 90493.2700 119138.5960 122846.9205 141398.1255 87047.5661 102876.1921 84396.6275 100971.1186 90137.8293 120061.5144 131749.8699 101533.0939 88014.7379 136326.9745 94280.5001 76181.9614 104620.2741 100705.6304 80979.0122 PE(38:6)>PE(16:0_22:6)_feature3 PE 16:0_22:6 287119.3046 318071.5895 371130.9436 264348.2618 229484.5198 321214.6920 197207.0313 262473.2655 247480.2885 266509.6385 140.6801 137.5129 144.3279 131.8591 134.5679 126.5579 286523.7944 252540.9642 276067.2289 284153.7080 268199.0430 286988.0241 254948.5302 278527.9762 276971.2406 230809.0362 225392.3718 184391.7734 198936.1734 300173.9881 362644.6587 198920.8650 231576.3273 238286.1475 237595.2025 295569.7821 248639.4302 266802.5664 219895.3369 193071.1803 240598.0876 333696.3282 192215.7434 302769.0045 288805.3715 267487.0798 286739.3786 202426.1546 227448.6619 371743.9706 261099.9754 300578.4439 354270.0852 334179.1230 276859.7079 278535.4691 276158.4521 316439.1368 287232.8136 279328.3204 349173.0831 227793.2751 229270.3829 328795.9285 286940.3480 183888.2381 243659.5202 301004.0129 251224.2056 PE(38:6)>PE(18:2_20:4)_feature2 PE 18:2_20:4 91618.0014 94695.7393 106872.3890 95848.9603 69078.4636 115689.9724 60451.6086 92228.9299 79293.6187 85477.4722 143.6766 145.6680 148.3482 133.3627 124.8269 126.8275 79178.5731 83745.3105 85335.1002 77017.3610 80359.5556 82524.2958 83710.4336 85406.6182 76994.6605 89752.4974 78355.2743 84158.8569 78871.2507 87750.4732 96143.2020 57631.5348 76478.6415 78529.5994 93757.2395 86178.3719 68222.7683 67665.5300 68917.8888 58249.1612 72377.9153 91986.3246 62848.2882 113392.9822 99158.1480 86538.5435 76081.4028 60731.0075 63622.7729 99482.8015 72821.2475 87808.0103 94409.6460 107180.8602 82143.0525 101376.6267 69269.0225 74388.0532 82872.7270 74565.0710 85525.6340 87103.6443 66922.1024 106344.7263 89925.3905 74098.1419 84300.4046 100785.5062 77808.0473 PE(40:1)>PE(18:1_22:0)_feature1 PE 18:1_22:0 57105.1154 60761.4864 76144.2042 54893.5803 41698.3801 82602.6175 46574.3482 63972.2521 52587.8704 50706.7654 119.9427 114.4582 125.0324 114.6730 102.3291 125.8020 59190.9997 62524.4023 62394.5345 62021.4209 61327.8490 55719.8049 56688.3702 61502.7302 65616.2351 44041.5920 43203.2234 30326.2634 30585.5696 61186.1881 76159.0189 43521.1907 50858.6538 58443.3329 49476.7483 74754.2049 50063.9515 54524.9040 49376.9271 50171.3249 54578.2543 64477.7022 44848.0955 77908.1271 55969.4895 60354.8374 56932.4849 42844.5528 47347.9356 75795.1612 55666.6651 74798.1562 68215.7319 84618.9193 60464.3355 62357.4973 57687.8044 59513.0989 60402.9262 56931.1179 69695.1554 52063.8702 49722.4379 84258.0984 70625.4204 55088.2009 61440.7193 71831.9876 61228.6985 PE(40:2)>PE(18:1_22:1)_feature1 PE 18:1_22:1 59303.0470 52259.0445 64056.1372 50422.3426 38027.2797 66816.6720 39445.6956 47000.2752 40590.1832 39440.6018 125.2390 119.6891 134.2145 113.2326 144.8608 174.8792 51123.3510 48058.4354 54860.2528 50107.3335 50760.6323 49528.9354 51606.5606 53132.6639 48856.9867 52290.4073 51165.8957 38671.3294 35184.7281 48235.8663 68756.1027 36185.2958 49468.4247 49942.7608 42396.9622 66137.0064 47305.5311 47418.9285 48347.7796 46180.3768 45622.7280 62261.8128 38630.5159 62363.5384 48467.5768 49817.9298 45367.2291 36384.5768 38337.2694 62619.9471 43385.7327 57669.2101 53911.8724 62831.4542 46122.4467 49123.2846 44554.3649 44711.2872 45040.3293 52814.0933 53467.3858 40915.1763 41007.9509 62293.1632 61832.3306 46756.9631 56712.6516 63144.2360 50770.1035 PE(40:4)>PE(18:0_22:4)_feature2 PE 18:0_22:4 1024741.1720 1091381.0990 1311779.3150 1069843.5670 831417.4140 1539179.0220 827202.0702 1220354.6580 1009873.6620 1059387.8050 150.5002 158.6528 159.7584 146.5464 167.9291 149.3987 1114096.7920 1151068.2570 1140515.5390 1041772.8600 1041075.2530 1090645.3320 1122208.6260 1131295.5420 1132678.4210 885217.8785 936948.6911 786637.1610 797494.4518 1113432.9130 1407495.8150 782332.8219 1092394.4920 1118623.7400 1053160.2230 1404888.2310 1020078.8120 1074006.5930 1038005.1680 892098.5011 989734.8191 1444041.2050 910276.3543 1362615.5590 1230367.4500 1216714.9960 1244455.9770 900376.6773 1013396.7070 1384970.8660 896705.5369 1167849.0510 1178067.6780 1404759.6320 1013708.8310 1041523.7960 1029714.0940 1110819.6630 1130440.5770 955255.2457 1322728.1360 941453.3939 895715.6135 1290212.5170 1361683.5360 932578.3235 1253141.5960 1252165.4320 1058180.3860 PE(40:4)>PE(18:0_22:4)_feature4 PE 18:0_22:4 26154.7416 27404.5051 37739.2006 27789.7443 19666.7039 43397.6616 21665.7182 32850.8187 26082.7576 27621.7338 142.3502 207.2346 141.2146 139.8971 224.0451 164.2780 28292.0688 28313.5114 27877.3690 28567.3223 28018.2212 29424.3268 29288.9488 27454.9754 27805.2446 24513.4841 26247.5010 18117.8621 19288.1099 26662.9481 36898.2864 18175.0254 25293.6027 27093.1472 25264.2590 34113.2628 24832.1165 28300.3308 24224.6414 21572.7616 25244.7320 31884.2844 20859.6216 33973.4727 29555.4472 30992.5783 27781.9769 22979.9902 25405.5188 34325.8483 23827.3693 31637.5369 30391.8604 36324.0498 25346.5981 28542.4962 25620.2042 25018.9591 27748.2204 24231.8769 31299.9438 21286.9399 20475.7696 34027.9854 33458.3056 25322.5059 30740.4200 36064.7441 29016.9209 PE(40:5)>PE(18:0_22:5)_feature4 PE 18:0_22:5 78623.7526 77535.6819 102730.2871 73425.6337 60206.4578 90646.4002 45971.1293 71055.1514 57863.7497 67789.8604 152.9824 150.6450 151.9034 137.0416 138.2695 138.9362 78111.5447 79622.2873 81003.8053 79107.5848 76183.7198 79247.5978 75842.1183 81597.4220 79666.6951 38481.7879 37181.9305 41413.4044 38167.2516 100912.9496 98676.0894 70669.4585 91304.0665 93087.3654 63837.5694 71701.4794 68561.9027 63492.2428 59743.1148 78512.2199 102530.1901 132108.3292 87907.4894 128517.0913 81547.6851 62497.1949 93330.1252 55062.7349 68180.3591 115397.9785 74349.3599 87521.0058 87396.9336 107434.2775 59081.1989 56312.7711 59048.2493 67436.7335 66259.8736 82949.1361 110458.4162 68808.2731 66807.2375 113287.6099 74060.0523 53450.2975 85432.0022 71103.8351 54695.1168 PE(40:6)>PE(18:0_22:6)_feature2 PE 18:0_22:6 245590.7650 282955.3671 375864.1426 256350.6550 226051.2919 310658.8917 162687.6149 231214.7808 202154.3605 267607.8219 157.9998 160.8866 150.6767 143.1616 141.0448 137.2520 248722.6085 253475.6389 237687.5270 240430.7921 249850.9450 248185.9930 245443.0223 249441.8393 245834.4787 174933.8337 178046.3329 158523.8547 167567.3932 262518.1570 315433.5725 198612.7946 245105.3529 272752.1073 249284.9087 395691.9215 222349.1570 207983.2419 214028.0558 184480.9597 231772.1780 307566.0769 184027.7384 305706.9625 348340.2431 366036.7900 242358.6230 184183.8316 212940.5844 359684.3328 231762.4182 301020.1967 304763.5844 333484.8225 238845.8635 247070.7802 270688.6056 257070.4925 241306.8063 252029.4041 443566.6220 218263.7544 204894.5832 303070.5871 242466.9494 183367.1049 250721.0754 284248.2094 185094.6998 PE(42:4)>PE(20:4_22:0)_feature1 PE 20:4_22:0 43875.5690 47113.1534 59378.9164 45878.3046 32213.8766 62806.3166 29694.8879 48589.3035 39440.5825 45899.6926 105.0294 133.3610 102.4011 103.3315 138.0211 147.7983 47519.5462 43347.7213 44628.2341 44630.0949 42649.6537 38710.6796 46042.9311 46559.5211 46219.3016 28862.3394 32585.1616 22896.9761 23367.0452 43859.3958 52229.4583 28311.7247 37733.8928 43245.1299 39362.5998 50731.4715 33619.0507 46747.8588 38393.9193 30562.9782 39925.6206 53677.2275 29741.9404 53333.5605 43050.4811 41504.7263 42341.4421 31418.8672 38964.6379 47568.5342 37810.1738 43617.8820 43457.4996 64164.4724 44649.6350 44335.4878 39047.7626 45663.4533 40799.5495 40074.9186 49276.3502 33757.2998 31922.0997 53170.4120 52385.1571 31768.6679 41122.1519 52140.8863 42241.2093 PE(42:5)>PE(22:1_20:4)_feature1 PE 20:4_22:1 53874.8507 54854.4322 70059.3985 49161.0433 37988.2129 75425.5261 40391.7675 58862.2430 45092.8783 48332.4970 179.9467 156.7166 153.7805 163.0670 146.9229 151.6005 55127.7636 51671.2055 52854.1294 51300.7666 51369.2130 51826.4309 53936.5589 52816.0547 53545.7735 46331.0010 47593.2032 36221.4506 36298.8468 50202.4465 66220.2354 36702.3452 48019.4105 56028.4310 44764.9726 58856.2362 43033.9667 48577.9275 44179.7490 40081.1878 46977.3481 62161.2903 39883.2167 65280.4601 51558.1985 54664.5948 55193.7551 39088.0305 43305.3781 71761.4594 41956.6047 57647.8525 56455.5112 69820.8223 45816.4392 53490.9286 44543.7557 48594.9701 50296.4674 49666.0558 62528.4006 44862.6045 42130.0385 67094.5558 62465.7609 43742.5654 60135.8195 65211.3479 52390.2328 PE(O-32:1)>PE(O-16:1/16:0)_feature1 PE O-16:1/16:0 47593.7846 55571.9154 70975.7642 53833.8796 42352.8502 74875.3158 48380.3110 61019.4752 53169.3342 50177.9927 164.2925 155.2492 156.6352 146.3237 147.7042 145.4586 53329.0215 55878.4846 52088.2206 51280.1801 52725.0148 54568.1304 51080.3920 54808.9819 54115.6022 45509.4679 43038.4086 35544.4755 35720.2635 53303.2677 66228.1711 39803.7206 51620.3956 50902.6004 48183.4791 61376.1517 45333.4249 56917.0486 46985.5052 41888.6471 43017.1177 55231.1469 37533.4694 62590.1634 48907.1870 50781.9428 54959.1138 37250.2284 43902.3815 63360.4847 45396.7018 58397.9277 55763.7676 68900.1336 51551.9386 56387.2359 49549.9939 57077.6939 55496.0471 51401.1166 54806.4667 43900.7232 40386.1613 63445.1966 56920.2631 43478.0859 54189.0224 61957.2774 47716.9964 PE(O-32:2)>PE(O-16:1/16:1)_feature1 PE O-16:1/16:1 31639.2837 53628.5549 55096.0471 56610.1055 31519.8510 39321.4066 24714.9303 34907.9900 38406.3967 29909.1556 169.3480 169.4796 169.9131 199.5512 268.7568 346.2457 44591.1405 51476.7397 48963.7873 37175.8007 35338.6076 46426.5055 46785.7051 51471.1834 43394.5762 29801.5617 29513.3469 27660.5300 39343.1527 45388.5948 59055.0473 27033.7526 34274.2134 36916.6437 33010.9540 29374.7112 31347.0741 26285.7433 23836.0765 42256.7186 33835.3475 41184.1251 33640.5925 44948.5216 34426.2076 24578.7788 36389.0996 20672.0365 19596.9636 59974.5444 28737.5606 56622.9686 58147.5663 59994.3581 34303.9284 54411.6868 23801.3463 29036.6345 41440.0369 62902.9203 51463.1350 54485.7033 40123.8691 60860.6172 42674.8787 43819.5021 28911.6582 33114.2210 50551.8996 PE(O-34:1)>PE(O-18:1/16:0)_feature2 PE O-18:1/16:0 38421.4282 47258.3836 59731.1295 48607.7155 39674.9840 71143.8978 45407.4994 56643.5274 53185.5658 48001.3889 128.7710 104.2388 110.3899 113.7015 105.2533 100.8450 51466.8509 50724.5790 48329.7867 48858.3478 50947.5959 48302.9449 48550.8851 51087.3122 51505.2763 49653.5043 48742.0144 40245.2803 41810.6072 47207.0016 58389.1527 37820.2988 47046.8022 44355.9100 43676.5427 65076.2446 44720.5966 49160.6707 45407.2109 39772.3295 40791.3234 53878.4803 36829.8291 54925.0459 45336.3568 49842.1498 50073.0842 36494.9139 45036.0907 61777.7471 42562.3038 53499.3811 52357.1175 58864.0108 49955.6592 52437.7549 47570.8488 56387.4427 48055.3918 45580.9683 56054.3051 39667.2547 40186.5991 63289.8298 56075.7743 45435.6884 51738.0898 54900.9612 48231.7887 PE(O-34:2)>PE(O-16:2/18:0)_and_PE(O-18:2/16:0)_feature1 PE O-34:2 2291682.0900 2455434.6780 2810638.9870 2198830.6040 1791635.0620 3199246.8980 1964140.4770 2377734.1830 2011914.4580 2000579.7670 271.4008 263.5563 259.8719 239.2320 241.5820 250.5498 2365506.7710 2358891.2080 2294497.1220 2225794.5100 2348789.5790 2283498.5430 2251157.4230 2389001.3280 2361242.9790 2032476.1000 1994400.9280 1558526.9410 1584189.6850 2476075.6750 3167592.6930 1956877.4650 2359202.3440 2388689.2100 1928760.0330 2571479.5240 1922399.3430 2079810.8070 1849851.7090 2081725.0130 2135525.6590 2692674.1890 1974646.3100 2895853.7010 2181323.4520 2082624.9060 2194802.8260 1655199.3250 1763213.2080 2981490.9390 2124601.9760 2947641.9180 2519705.5440 2962593.6650 2320638.9560 2301769.1310 2184117.1350 2361076.1920 2216645.9980 2378996.1430 2676023.7750 2064135.3230 1937696.4590 3185912.3770 2615741.6140 1928729.4030 2484057.4470 2595299.3950 2173713.9620 PE(O-34:3)>PE(O-16:1/18:2)_feature1 PE O-16:1/18:2 161145.0768 196417.8543 213096.9965 171106.3367 137495.4118 235620.0790 139225.7706 172778.4774 160713.6814 150728.0336 152.7178 149.5570 154.8766 140.3071 145.9128 146.7484 179779.0209 178570.3531 176101.1741 181533.9299 178605.9069 174738.8206 181829.6718 175904.6279 180650.6724 186552.1907 192464.7526 150467.5113 161625.6241 167200.7123 238043.5460 139626.3059 177482.0994 176031.5396 152340.9845 201386.8844 151185.9742 159357.2170 134796.6754 143931.0678 153489.9000 194388.0996 134731.3224 213521.3979 171880.4786 169567.7672 151821.0313 131370.5226 145216.3028 227461.9625 156527.8587 235785.2402 213862.5073 262850.7260 185682.5177 232180.4895 165383.4468 171979.0578 181531.9203 200036.6731 202971.4947 167759.6376 155934.1059 234443.7741 216179.9789 164327.2833 191385.3890 228146.7833 204414.3958 PE(O-34:5)>PE(O-17:1/20:4)_feature1 PE O-17:1/20:4 92941.3746 68321.6184 121543.8554 94809.5451 73074.3407 209864.4332 130386.2860 165363.6995 118490.7309 150003.9643 209.7929 213.6837 195.7877 186.8300 187.0227 189.4746 136675.7645 132180.1556 123421.3869 132428.9482 117726.0540 128806.2370 129001.4168 129745.4295 137709.6376 190491.7557 192539.8453 144531.6138 149127.1038 104166.1115 93814.0519 76173.7583 101139.4468 103249.1657 146373.7972 216207.0264 142793.6762 140586.0473 138275.3490 73264.1345 66620.7277 123919.2036 57355.4438 126487.0782 154861.1480 174712.2124 138249.5266 119342.2303 120699.6783 83867.2410 90715.6983 115606.7018 124046.3240 94616.5509 141457.2441 166175.7941 153863.1988 134343.3222 150517.4121 72514.0440 126316.8508 95299.6394 95349.2612 144523.2041 192957.2957 145135.8772 160144.0865 183259.5279 153058.0233 PE(O-34:5)>PE(O-17:1/20:4)_feature2 PE O-17:1/20:4 182642.3568 180067.8460 217287.9786 179321.2790 134181.5447 272764.5074 152938.9272 232750.1930 172289.2385 196284.7751 162.3945 192.0868 170.8599 144.4621 233.6612 144.3787 205359.4485 221169.7070 193952.7192 208187.3242 202100.1220 214559.4229 210139.9760 204283.8703 208185.0226 258831.1583 244318.1436 192935.0979 204104.5541 203626.4686 241043.0834 160108.2942 208058.4092 205301.7145 176861.6246 273957.7217 176854.5985 198369.1515 177073.5146 158447.0296 179757.7617 237016.8386 162349.4979 248771.1230 217957.5770 222024.5391 184577.2031 167474.8258 172358.7431 235814.4183 180589.2586 233461.6344 217255.0489 249217.8250 204470.5011 236846.3821 224883.6131 197554.7402 209853.3520 198512.9129 222385.0935 182296.0573 172722.8855 260207.3864 282009.5326 216387.1528 248925.7027 247058.3802 232443.8167 PE(O-35:2)>PE(O-16:1/19:1)_and_PE(O-17:1/18:1)_feature2 PE O-35:2 22532.7027 22195.8537 29677.8292 22210.7736 17667.2471 47445.4600 29863.7713 34513.7513 28148.0880 28537.7228 219.6331 217.9183 225.6537 171.9038 189.2067 208.4999 23568.1797 30835.5693 31199.6032 28455.4888 27296.8424 27508.2654 30191.2029 26936.5799 27643.0173 45871.2337 38059.8579 34141.6978 28871.7623 27770.2337 31213.2613 16659.6435 22645.6025 25089.6454 31862.8034 44018.6382 29397.3588 27877.0246 33580.7440 20500.3262 21702.5986 29484.2775 21666.3871 27857.4329 36381.6236 35241.1985 30301.8669 27223.9197 24691.9092 29481.1116 21099.9817 28764.9641 26490.5387 30142.4192 32257.7450 40524.0717 35479.2929 32947.0745 35753.4206 26944.8521 31252.3664 25566.8037 22490.4084 36965.2301 41781.8960 30989.7869 38227.1168 40523.3705 34757.1209 PE(O-35:2)>PE(O-16:1/19:1)_and_PE(O-35:2)>PE(O-17:1/18:1)_feature3 PE O-35:2 44727.9006 42329.2981 50936.2149 40217.2469 31411.3306 70126.7474 38004.8524 51637.7023 37816.8643 43919.2420 150.0029 149.3271 139.4113 158.8205 144.3760 147.7444 48831.5942 50551.4777 47308.0950 46688.0400 46527.6853 48885.5563 48007.4856 49723.5767 48750.2580 52115.6404 55726.2002 41390.9560 45010.9532 45653.5684 63588.9512 36141.5515 47814.1839 51120.1379 40044.5538 60498.7426 40734.8954 40631.5811 33894.8952 38866.4165 46760.5479 62292.9123 36263.0965 59671.8403 42149.3447 42292.5603 40499.4712 34561.2197 35910.0434 62320.3932 42644.9177 62025.6622 50469.3239 63506.4230 46716.8509 50274.7066 45271.6215 41358.9388 46078.7346 52136.0175 57122.1272 44126.0670 39940.5654 68172.8283 65494.1049 48002.8228 59492.6962 59467.9359 53200.8925 PE(O-36:2)>PE(O-18:1/18:1)_feature2 PE O-18:1/18:1 859225.7839 1048117.1370 1139410.5920 897144.6372 735366.9215 1465649.4880 796006.8742 1055288.0690 875318.0769 925689.4268 124.7338 118.2008 119.2651 119.6173 134.6394 133.5038 998910.3255 983571.1128 1046229.1890 1016517.1500 1058317.6230 953347.5180 1019905.5360 1014043.1760 1005593.1480 1035347.8870 987416.4686 864920.4953 861927.1979 1072929.4720 1281367.8590 731534.4445 997623.4858 1071233.4290 837478.2369 1222955.9160 871813.4673 887371.3062 866792.4307 830910.4297 890052.1464 1159334.2600 833257.9385 1243584.6630 941836.8232 1012390.0780 987039.6781 716329.2784 856074.0221 1293898.1110 835662.0440 1251737.3120 1118476.5100 1335130.2330 959904.0003 1009802.3370 898837.0260 948845.6256 1006179.4660 1070757.9170 1250765.4970 975499.1019 864086.0808 1414131.3540 1195639.7300 1002843.2150 1177526.4800 1269817.4170 1141428.0670 PE(O-36:3)>PE(O-18:1/18:2)_feature6 PE O-18:1/18:2 154342.7134 127041.9144 140309.2565 148355.2051 123200.4447 212336.3403 121449.6382 118527.9667 146992.3710 146259.3472 162.3108 171.0383 172.1650 154.0063 176.4190 172.7011 183594.3543 167116.2459 166726.3983 172460.5390 157191.9133 169666.6379 179328.3564 184170.1977 163431.7500 195643.5343 204658.4034 170610.8203 178944.5458 159406.8575 237733.0544 120586.6657 159676.4081 164200.3980 130687.6927 213342.3581 147896.0258 133867.9891 133477.9860 146291.7315 139570.2621 199728.2255 121280.2125 220864.2085 163400.1937 181681.6286 133853.2137 110504.3700 138716.1243 231311.6579 144599.0988 225768.8563 198397.6250 240708.8734 167877.3181 193957.5118 161458.7758 155422.9037 182462.8429 140956.9442 209642.3637 174792.5748 164785.2289 251860.5301 234324.9317 180978.8009 226771.6377 164004.2467 196253.0957 PE(O-36:3)>PE(O-18:2/18:1)_feature3 PE O-18:2/18:1 463215.9844 475410.2721 565945.3903 473653.6650 353284.5546 711179.2314 427706.3095 480509.5988 398862.8636 456005.2705 225.2554 215.3551 219.5042 205.4892 198.1347 198.9783 498947.9309 514309.3422 471074.3216 476537.9665 498688.0046 495082.3875 482014.0348 491176.4629 508415.9778 568190.4555 566156.6552 477560.8346 477888.3450 527572.9938 634142.9021 404387.6528 502257.5135 478132.2268 431528.4439 584084.3313 416690.4144 416757.7496 410784.4540 450776.1449 450012.2939 590561.9582 434378.3345 618120.7506 459807.0709 453116.6698 436170.2045 371032.8283 380799.4599 627206.7543 452360.0601 617838.0323 517156.3740 599367.8898 470847.9248 517386.0932 459549.8771 455258.0826 446473.6615 507237.2609 582287.5246 462955.5327 446909.2277 700550.2468 653485.3140 501315.3300 587989.6900 637086.5274 554093.4715 PE(O-36:4)>PE(O-16:1/20:3)_feature2 PE O-16:1/20:3 122509.0236 156081.3286 208599.1545 145333.6483 113161.1091 117067.4217 68600.6168 72093.0216 75252.6760 51698.8667 162.4527 157.4600 159.9867 148.1586 145.8509 139.6235 90983.5679 99427.2604 101015.8977 98694.7529 91715.2795 95761.9804 94196.4645 100149.4208 95297.4110 92833.2978 87608.2847 75785.1142 66981.2406 114309.9907 210664.7902 82341.2629 98186.3627 103730.4202 68672.4235 90188.3745 63879.1066 70803.3736 65113.4335 84554.0685 96146.5373 134677.7537 74452.0901 131695.1024 70814.8564 75110.0693 79434.1584 61710.4587 58086.8586 127986.1515 98677.4252 149200.7777 145391.3374 207292.7428 83216.6213 92947.9415 76872.6159 83816.0717 82125.6734 169782.5440 122219.8808 121903.5262 89135.6211 146724.2267 107754.4954 85163.9774 95460.4226 104543.5724 94217.7449 PE(O-36:4)>PE(O-16:1/20:3)_feature3 PE O-16:1/20:3 22236.1098 25245.1021 32933.4906 22093.5125 18863.8955 28403.3753 16118.6818 20400.1252 19667.0300 19473.1560 157.0564 156.6256 162.8474 150.7712 152.3031 152.4504 22375.1615 22178.3189 22268.3678 20089.4349 23010.4129 21821.0308 22162.1707 22036.4192 22085.8599 17262.5709 16737.5773 15092.5790 13662.7446 24991.2508 33685.9143 18962.0673 21354.9821 23661.4093 16512.5551 20545.8670 15804.8607 19217.4955 17241.5865 20793.2023 21121.1131 27746.8957 17849.9704 27902.7919 20430.5171 18739.3704 20446.6232 15727.0991 17342.3185 31090.3566 21290.6508 27716.6202 27965.8823 32540.7382 17520.8160 18134.5606 17536.6625 18902.8683 17798.4571 26112.5789 27667.9694 21748.3093 18676.6990 29288.3930 22626.7335 18232.1105 22454.6574 25446.1930 19542.9876 PE(O-36:4)>PE(O-18:2/18:2)_feature1 PE O-18:2/18:2 112814.5188 97422.8432 116585.4854 94253.4531 91427.7062 203005.7270 122976.8325 150316.9254 124415.9149 135282.0300 203.6127 207.5984 200.9550 202.2716 199.5479 205.1523 144541.6421 153008.1893 133507.5078 142142.5139 149781.1007 158597.3565 141230.6682 118099.7696 164147.0808 164985.7164 167788.2382 137713.6889 156905.5781 128537.3156 178352.6972 110565.1841 144227.8597 155366.6685 125096.4325 185510.0960 117830.4906 128619.9834 106459.2361 112837.3141 118240.1655 164619.5213 118114.3650 181904.7442 144500.6782 155246.5764 119763.0150 109285.4646 128154.2841 187136.1877 128900.5753 187470.5771 150840.2422 183344.5990 163519.2036 193639.9010 134855.8976 134698.4384 143802.3095 100658.9378 179188.7776 129221.5777 118777.7854 204672.6926 191711.9715 151627.6729 193902.3324 179279.8839 176009.0696 PE(O-36:5)>PE(O-16:1/20:4)_feature3 PE O-16:1/20:4 5580718.5700 5952442.2560 7106649.4220 5670876.9140 4356035.1770 7458838.9550 4269011.1770 5932984.9180 5024777.4640 5281577.2610 367.4972 360.9082 341.8222 256.9760 258.4753 352.1302 5841532.2270 5885536.4800 5487273.4340 5656328.0450 5445161.8430 5542422.5210 5895518.1230 5714653.7510 5785650.8560 5305901.0610 4790543.9270 4368695.1640 4178086.7040 5849943.5620 7357930.2980 4065360.2390 5105399.1510 5838494.5040 4989293.6940 6895169.0520 4722382.6130 5309421.7600 5032164.9720 4789441.2500 5046935.9370 6456736.3560 4216216.6290 6776962.0240 5876356.6830 5687260.8460 5601789.5710 4338347.8220 5025986.0080 6343455.9710 4808571.3310 6453139.5590 6346206.1830 6977906.7900 5595761.5000 6104649.4390 5496078.7060 5690508.0680 5513765.6850 5891587.8840 5914409.9890 5051820.1700 4550588.3440 6866657.7010 6622676.8050 4951565.1210 5677952.0140 6098539.6410 5243788.6900 PE(O-38:2)>PE(O-18:1/20:1)_feature4 PE O-18:1/20:1 83477.4202 103442.3237 123515.6045 95482.8727 69267.4733 130471.2075 76273.2839 102591.4155 84664.9890 86885.1267 168.8537 160.8463 184.3668 131.7519 158.7146 185.4786 99029.9269 100780.5967 99023.5308 99370.6887 97293.3411 94125.2199 95028.6678 101408.3999 102871.5000 108949.9154 103582.9866 88501.8612 82584.6789 101164.4145 127777.1948 73188.1582 84675.3450 97641.7563 78154.6641 105784.6785 78397.9448 77924.6912 72697.7964 80087.8954 85183.0404 99417.3555 71919.5578 112825.5491 83540.0493 89699.7010 82983.8445 69948.0479 72742.6719 121020.3284 85300.5570 115519.3107 105987.1004 128991.7112 90253.9186 96316.8585 82611.3683 85569.5906 92357.7877 113330.7443 118516.4549 96960.7560 90650.7468 143769.7177 129977.7572 98052.0165 121024.1472 120721.8624 119936.3077 PE(O-38:3)>PE(O-18:2/20:1)_feature2 PE O-18:2/20:1 24052.5869 49405.8233 30051.3133 24062.3844 30943.8254 57682.4098 30437.7843 39713.3243 19785.0952 21224.1328 177.0456 152.1753 148.5933 145.5135 163.6503 162.1349 34980.1352 26727.9421 27044.7715 24882.3564 36225.3359 25433.3880 26728.7248 39322.8024 25026.2246 62590.3378 45886.1130 49858.3757 39044.9149 25753.2169 32182.4761 16717.4628 27010.2374 32905.5796 24324.8913 28314.0492 33290.8263 20262.2699 31046.6050 30771.4680 43061.2270 36544.9871 20975.3290 24485.6197 34745.0621 41029.6666 34646.4600 19260.0807 26500.3719 57206.0792 35801.4359 46365.8776 46628.6559 28765.1120 22293.5578 26948.5332 36628.9105 31547.5262 22839.2342 32805.2995 46593.9203 26566.9996 31812.3155 65200.2777 51678.8574 39767.7424 41103.3806 52230.7194 40880.6019 PE(O-38:4)_feature5 PE O-38:4 121224.7279 143489.5915 180075.9314 125568.5623 93741.3869 166357.6032 70554.5296 125622.9970 114383.0989 107606.8099 203.9543 202.9383 190.8941 209.4523 190.6617 194.6962 133513.3491 130383.7692 121439.0521 132738.7351 136327.7721 127234.7266 122727.1438 142402.8240 125148.6016 174182.2403 168699.2931 155065.6721 49420.9557 133880.4516 177524.8989 98209.7342 118536.1939 127863.2396 93701.7359 183166.7384 92369.5472 118127.1488 96786.3136 109519.8444 117423.3936 155005.5835 102366.3816 167331.5651 101375.8905 96043.7108 118755.8435 95166.2518 90222.4839 183869.8136 118741.4378 163790.6964 155481.6974 183462.7776 103279.5094 179491.2795 94953.7327 115417.8124 115837.6695 145903.6063 148993.6877 131496.7351 109223.7603 194427.2213 169075.1070 127300.6720 167141.7034 142796.7740 144379.0239 PE(O-38:4)>PE(O-16:0/22:4)_feature3 PE O-16:0/22:4 93219.7771 98405.8160 111200.7455 93849.7568 69137.9568 142672.2496 75382.5123 109804.7439 89164.8324 95593.1393 156.0010 147.3518 152.8978 133.6953 137.3334 133.9934 89971.7220 97785.0038 92979.5604 93806.5625 92792.2330 92693.7346 92823.8216 94095.6829 93526.0210 85830.4074 83205.7169 79722.9779 76361.8463 104274.0819 111739.8030 67973.7160 94854.5321 84266.6375 89988.4942 113081.6526 91884.9137 93071.0036 82455.8216 72504.5635 76495.5748 102426.6485 65158.8433 104093.4953 97344.2605 86170.2091 97815.0629 70988.8735 80547.3251 110882.6112 72263.3926 96896.0603 89834.9515 112703.4571 92895.3902 101133.1329 89149.5385 99636.0896 97215.4667 89621.5690 106668.7356 81942.3933 77957.0123 120909.6244 104512.2570 87190.4417 108261.7941 114858.7564 90742.6700 PE(O-38:5)>PE(O-16:1/22:4)_feature5 PE O-16:1/22:4 3085473.3130 3295700.9510 3717094.6480 2934000.0490 2340626.2610 4512519.2110 2666011.9070 3483965.8780 3139186.5730 3156168.1710 257.0829 256.5219 266.5721 245.5612 250.2444 256.0898 3153781.7720 3150611.7930 3154199.6500 3297125.7020 3134709.0290 3114464.9080 3183883.7800 3177937.1810 3165601.8670 2764314.7340 2832479.2230 2403007.4970 2353923.3040 3046563.7800 3721092.3650 2420590.9340 2895208.2930 3195568.4650 3024754.3500 4230361.9280 2946244.7180 3181189.0930 2865149.0600 2596663.6210 2759335.0720 3902577.0250 2515659.0740 3764628.7920 3333532.4590 3166913.8140 3412560.0270 2596157.0610 2929734.5920 3848601.7340 2660943.1610 3655225.7010 3369880.7400 3859392.1540 3084605.7140 3050317.7650 2726065.1650 3158726.0110 3253544.9500 2994670.9010 3447939.2130 2726516.8760 2461948.3090 3846039.5370 3820962.5240 2699572.8180 3538848.0010 3655097.6200 2956469.1590 PE(O-38:5)>PE(O-18:1/20:4)_feature3 PE O-18:1/20:4 52871.5595 58488.6533 67662.3937 58333.6780 43058.5557 85033.2388 47535.2842 65621.9989 54329.4796 66556.7614 154.8995 151.5640 156.6807 134.2654 134.9435 140.1026 58377.0148 60142.4486 55056.4310 55755.7021 59337.5187 60343.3297 54698.1555 62158.5687 55830.3367 62169.0015 58709.8495 60178.5696 56184.1992 58327.5311 65666.5060 35939.8700 51644.5960 45363.7090 52845.3859 66644.6408 58498.0400 50965.9968 51707.6332 39993.8677 42641.7067 53728.1893 31387.4217 57599.0324 53318.4906 54867.3701 54820.6274 42666.1434 45593.7314 67166.7059 47277.2501 66810.3412 58512.0474 66978.7947 66800.0369 85571.1444 60003.8154 65394.2756 61152.8703 59241.3091 58660.7565 56320.7353 48291.7356 71224.9420 67057.9071 53653.7641 74169.6758 74847.2048 64041.9721 PE(O-38:5)>PE(O-18:1/20:4)_feature6 PE O-18:1/20:4 4903768.2640 5014578.9970 6000879.6570 4966508.4220 3863442.4900 8239461.7990 4594777.4390 5928141.4890 5032456.4140 5631114.1810 269.9936 287.9750 326.9403 259.1571 249.9388 377.0118 5679672.1000 5521979.2680 5397370.4960 5446378.6080 5608801.0030 5379299.3960 5552728.8750 5612699.4590 5548316.4560 5858702.3460 6064187.2000 5056790.8810 5150150.6850 5448462.8250 6884680.4020 4252219.8880 4896650.2110 5205152.5210 5150561.2440 7116875.8840 5028420.6320 5406134.3630 5107591.4210 4355366.1580 4920241.5490 6396905.5420 4273301.3590 6738598.3380 5511859.3660 5742132.5540 5570157.1500 4439717.8290 4777907.1340 6439036.2420 4748397.2710 6211510.5350 5861895.4380 7025448.3530 5318397.4070 5694105.0220 5402458.4170 5680650.7220 5406351.5870 5082197.2620 6029480.4230 4559442.0590 4594240.2620 7037631.6860 7212978.2320 5332148.4340 6246465.9420 6531453.5260 6281522.5130 PE(O-38:6)>PE(O-16:1/22:5)_feature3 PE O-16:1/22:5 188183.6423 224829.6769 282498.9927 216710.6933 154322.7460 251014.2389 144944.4000 186463.1781 161062.1371 180529.6705 167.8991 176.1647 170.2516 149.1541 149.1948 151.0370 209047.9568 212180.7965 217099.9370 210130.6384 211363.6512 201656.6031 217950.2284 211077.0871 211793.2141 155803.6666 151522.3613 149680.8101 136604.2441 234180.0056 262187.7249 172310.3114 208305.1459 213787.5137 155619.0491 199405.5582 168567.6589 167248.0176 169449.2667 182170.3848 230920.1908 276977.7528 188459.3636 280436.3200 188020.7388 171002.5830 211913.9862 151834.0335 165217.7401 277359.0528 194572.5284 245888.0684 254483.0292 307230.1642 191848.6921 224598.1479 180293.9409 187821.2341 199091.8513 252888.3518 262093.0300 213785.3278 188428.8058 293380.0218 213442.1701 174053.0135 223859.8704 204194.8216 189646.0168 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature2 PE O-38:6 2332149.3910 2525445.4990 3201259.1130 2494156.1650 1955324.7860 3588359.7560 2138176.4710 2712633.0220 2340285.2360 2758849.5400 186.1504 186.4026 187.5616 154.2646 151.6997 154.8910 2797800.8160 2666279.3810 2597769.9180 2717830.9400 2674462.8700 2658209.7040 2779635.7330 2756999.8260 2634162.1790 2941821.5930 2685622.5900 2381791.8320 2133714.9840 2614543.8070 3356707.3370 1758777.4890 2281133.2480 2552010.8550 2237826.2610 3294924.6610 2299099.7750 2471878.7400 2651763.7130 2112893.7870 2104750.2030 2831946.9220 1953717.1270 3035875.1940 2632997.8310 2783573.3610 2593754.5350 1996667.7230 2182326.7670 3002822.7850 2161149.0450 2932692.7140 2868321.6720 3216811.7740 2745533.3440 3163549.4620 2789393.9020 2773774.4330 2735124.2720 2600175.3740 2953998.6840 2379450.5470 2219082.0650 3175098.4290 3194749.4040 2491303.6790 2856385.2600 3219231.3960 2658116.3670 PE(O-38:7)>PE(O-16:1/22:6)_and_PE(O-20:7/18:0)_feature2 PE O-38:7 583745.6452 672626.6596 777654.0584 598311.7826 500971.2713 736774.1477 459116.1960 589354.3460 537326.9367 565153.2064 158.0124 159.9173 164.6647 146.9289 148.4071 143.1857 611736.7027 603391.4258 574908.4525 597083.7206 579216.7461 584906.6699 583694.8989 577669.3921 635122.0911 486516.2631 489252.9356 409932.5323 417013.0689 588680.8180 737758.1889 464308.2077 1060061.7000 564144.0449 537670.5286 630831.1996 541333.9651 518370.2113 505631.4854 467440.3306 527196.9145 717510.6173 442562.7898 719286.9775 552684.7990 577817.6901 630894.5842 443213.2968 512196.0662 813856.7879 541793.0702 698855.8438 720944.7741 811201.0407 627036.6787 660354.2724 623648.8133 638483.0956 841288.8306 617566.7968 650901.9582 524148.4755 477187.2525 685619.4467 572205.0661 427689.5649 539679.5873 570998.4386 466356.6199 PE(O-38:7)>PE(O-18:3/20:4)_feature1 PE O-18:3/20:4 189114.8275 181230.4380 250434.4316 176273.7438 141531.7511 276693.2064 159946.1158 202408.5150 168266.9520 172759.9730 146.5516 142.9182 146.8652 137.1004 131.7895 133.3147 209374.2312 201768.2466 201943.0986 208934.2178 200996.7387 210511.3709 212095.1612 199684.5622 204152.2169 245173.6882 236509.4355 180239.9515 184805.6574 192013.2238 252206.9862 148296.3666 181583.5252 203746.8419 170953.1270 256337.0176 184423.0514 191256.6319 163473.0414 167566.9740 167080.8287 226684.0019 149897.2587 237674.0799 178011.6686 210112.8746 179525.9067 155336.9141 167769.8991 274651.3735 170507.1936 243647.9102 233118.2756 267504.2556 209475.1331 275998.9132 208958.3189 199613.4680 219655.5816 181770.1897 238571.4230 170396.9392 169368.1982 263180.4692 275374.7340 192446.3838 234737.6085 264811.4898 228529.4210 PE(O-39:5)_feature1 PE O-39:5 31649.5307 30823.5316 38099.4674 22820.7832 17331.8990 51796.6262 42829.1839 53051.0284 45773.7979 46369.8277 204.6781 195.4791 199.0390 175.8036 169.4098 170.0300 37236.3455 44412.7738 28009.4131 40579.0045 42901.5521 40171.4911 43452.5592 44680.6913 28011.3165 61705.8712 56390.4168 48445.7889 29233.1381 37714.5293 42599.4002 28428.6747 33650.0480 23699.2558 33889.7300 68586.3498 46280.9951 50063.1167 49008.8382 27731.8721 24123.6628 37463.8204 28470.3725 39182.0210 55105.5376 55864.8991 49351.1359 49054.6078 40962.9516 38918.0907 29859.5716 39775.2829 34755.7664 44189.5239 46622.1544 52210.0060 51089.5506 47107.2659 46590.0773 35600.1196 40758.5085 32288.4945 32103.8421 33976.5146 63735.8902 46573.5099 56529.9137 44766.5192 54580.4071 PE(O-39:5)_feature2 PE O-39:5 65099.2635 66040.2913 76885.5778 67753.9969 48116.3943 113412.4448 43539.7747 83700.0410 66304.8738 57942.1968 161.1304 169.7991 162.0591 153.1113 175.3962 155.9925 84878.3933 75323.9373 72154.6990 75513.4014 77594.2693 78624.2181 80431.9048 72858.7900 81321.0906 53634.5716 76064.1690 61989.5454 62038.9526 69617.3787 94443.0665 55022.9747 75650.1758 74358.0836 59524.2088 108722.9768 68610.1124 46054.4301 45624.1130 57578.0851 68262.1872 95409.7069 57179.8381 90350.8164 85186.8979 84428.5922 78796.3234 52219.9428 70331.3377 91331.9051 53246.8209 82027.6003 75777.9165 88871.1102 55320.8868 74340.4077 69050.6560 72296.1823 50155.2121 65989.2876 74339.9798 62368.7805 59796.7650 95794.4376 117276.6908 54747.4037 103674.3452 96754.9840 78259.3899 PE(O-39:5)_feature3 PE O-39:5 24951.9748 22395.8366 34071.2801 26687.9902 16890.6837 54740.7315 42718.4867 60325.3729 42182.8130 36424.3701 160.8607 155.8384 171.9534 146.7262 140.1741 152.4586 44780.9423 41206.3974 39843.6344 42851.0157 42071.5902 42413.2645 44904.7329 42060.5621 41161.8612 92199.7087 61457.4607 73012.7150 66024.3567 27450.1210 38047.6845 19140.2944 29408.5320 30025.5938 47300.3524 59949.9639 60288.3086 50597.0077 37244.1997 21329.5031 26279.8994 30222.1867 21197.5498 32517.0613 61913.9883 48444.5682 48117.3098 50765.2520 41214.0051 34216.5877 21610.3766 34086.3063 26656.9238 33945.4016 57047.8209 69140.1690 67801.3572 48765.9217 54285.3194 25670.7579 39175.6171 29981.4875 26137.1886 41380.3392 83427.8600 64024.9267 52799.7623 78372.7612 71066.6735 PE(O-39:5)>PE(O-16:1_20:4)_feature4 PE O-16:1/20:4 26826.2594 28347.2200 35177.9894 28170.7057 20324.1101 47848.6260 29684.9600 35913.6287 29470.6612 34387.6186 152.7710 152.1841 134.3409 137.8656 187.4418 133.5071 34271.1990 30833.8249 31196.3893 33314.1853 30985.2932 34894.8025 31698.4416 32594.8004 32079.1644 40819.0039 41492.0485 31072.3448 31405.6944 29759.7185 41108.7369 15985.8600 29956.7730 32302.1663 30607.7731 44700.9166 29261.6559 30710.8407 27332.3429 22112.6876 28456.3474 40108.7374 23227.6933 38890.2932 35439.8062 37222.7850 29120.2076 25846.3773 31453.1314 41249.7911 25825.5568 37060.6526 34799.8265 43822.1546 33659.7978 39013.9946 31914.9136 30508.4497 31143.1912 32065.3569 36626.4534 25866.0535 27512.3253 43210.2035 46674.9753 35920.7533 42751.1961 43162.9331 39883.4182 PE(O-40:4)>PE(O-18:0/22:4)_feature4 PE O-18:0/22:4 63934.5823 65587.9024 79940.1452 70611.9916 54582.5454 115515.7064 61424.4720 81484.2480 73631.4351 79352.9999 132.2023 106.5164 122.8838 107.9066 98.8702 110.1671 76691.8736 80018.1004 76599.5649 77902.5266 75106.2067 76504.3541 75186.8111 79280.5530 78746.1572 93141.9396 84007.7981 78421.6014 79097.5763 80231.7559 84257.4220 50617.2080 75366.7958 68857.8864 73940.0801 106104.9298 79197.8957 72480.1399 77310.2861 57832.4520 64141.7747 83029.1951 61693.8643 86774.0859 85459.0992 78856.1553 73979.4168 61876.7536 72407.5878 87193.8994 59000.5749 78961.9128 70065.4315 86835.8720 75394.9282 89546.9639 75090.8574 78946.0206 79992.9049 65924.8997 87010.0105 59490.2966 60228.5848 97747.2473 98673.1792 75185.1842 99458.0801 96461.2687 84477.9437 PE(O-40:5)>PE(O-18:1/22:4)_feature4 PE O-18:1/22:4 1591481.2830 1622720.3630 1903148.4330 1568071.2320 1227024.8140 2773576.7680 1480204.0910 2039865.7470 1749399.1440 1843348.0990 269.5621 240.9969 340.1761 206.6896 233.9264 284.3121 1849550.0160 1862203.3290 1816388.3190 1819300.0880 1776120.0610 1872605.4270 1831110.6530 1840937.6640 1845823.8910 2005692.4210 1943676.1740 1602161.7860 1528980.2540 1764796.2610 2184475.2500 1317575.4330 1637227.6250 1717478.3360 1677881.5760 2400544.8900 1710761.9350 1863756.5290 1743322.3010 1428004.5220 1672610.1010 2163453.1500 1488264.1310 2139329.1060 2042159.9920 2112611.4220 2023491.1770 1525647.1250 1702486.9410 2107866.9510 1522631.3570 1874779.6820 1881408.9450 2295205.2670 1779507.6620 1786270.1150 1628296.1910 1767087.8680 1820413.7350 1553001.9980 2048350.6180 1460757.1720 1435598.0740 2253819.9920 2499273.1010 1833897.0460 2333157.2260 2343562.8390 1973463.2750 PE(O-40:6)>PE(O-18:1/22:5)_feature3 PE O-18:1/22:5 629650.0193 722805.2052 765911.5709 706441.1469 503708.3187 1114929.2850 697196.1872 806002.6330 659884.2262 715986.0833 171.4244 174.9724 171.2108 157.1065 153.0226 153.0406 745221.5140 793918.8143 662224.6809 784199.3532 741354.4889 644641.9633 726425.3796 794671.3417 753898.1958 820718.7741 747028.3031 654378.5544 671086.0163 722668.2580 840071.1926 510915.5846 549118.1908 598165.4572 583318.4880 935171.7809 675645.9317 610354.4058 727542.7733 536831.0045 569556.6849 609168.8875 517592.4705 751387.7953 807938.2238 770998.3815 641146.0540 595453.6762 574838.6509 926600.6465 664777.0535 873890.1669 726606.7246 1041254.8860 782967.4734 931227.0275 801523.8047 922462.4803 802641.2916 775224.4076 824058.6753 603281.2041 668928.8979 819187.0062 952037.4138 714989.3976 778898.6169 736751.5517 709550.7171 PE(O-40:6)>PE(O-18:1/22:5)_feature5 PE O-18:1/22:5 71510.3966 69134.8759 88300.0722 71147.3841 58052.2011 96909.6804 52356.9966 74406.7764 63129.5186 74763.7522 144.6369 142.3864 145.4630 133.8751 135.6285 136.0492 79625.9151 79727.4469 77215.3722 80286.0686 80512.8452 78947.4230 82402.4299 77592.0186 78558.7592 59169.4222 58332.5401 58726.9488 56150.7919 95593.5541 97037.6873 65642.5437 92710.7929 98817.6266 59983.2896 80453.5538 71651.7321 70978.0382 64524.6666 73739.4119 107255.7103 130503.3907 88957.3497 123556.6494 78423.8063 69281.6435 91024.1483 58608.9198 69636.2479 109143.8517 71403.5592 91556.5734 84581.2043 115485.4635 64925.1763 72001.7410 54787.6947 67605.8512 67823.8073 75294.5667 105180.8629 71364.2991 69620.2113 114484.4591 90917.1431 66943.1907 95472.0789 82394.5370 74118.3008 PE(O-40:6)>PE(O-18:2/22:4)_feature2 PE O-18:2/22:4 58434.5669 78400.6225 103106.8791 62471.5571 45597.6160 92215.5313 43792.2975 75372.8497 56371.8748 57307.4522 118.3943 121.1051 134.3003 118.6327 113.1308 145.2257 64394.6355 63953.4941 55587.8502 57169.6692 56379.8910 58709.8566 61374.7047 64555.2373 60870.9394 43226.7017 42440.2225 30955.8619 29308.5164 64454.6388 98311.5815 43479.4382 53812.8832 60870.2966 46695.4356 71453.1615 46334.3228 60951.2013 46578.2637 49734.1479 52045.1485 85776.9167 40823.6321 76781.7545 57477.1018 57241.7803 59675.4386 36599.4656 51119.3296 91243.8844 51340.8705 76982.0100 80662.1189 93730.7330 45419.9025 50108.7413 57174.7032 63859.1730 58769.4333 63021.2288 72588.9280 45721.9506 45308.4048 67404.0965 71129.4649 35731.6035 54158.7132 55541.9383 46157.9692 PE(O-40:7)>PE(O-18:1/22:6)_and_PE(O-22:7/18:0)_feature10 PE O-40:7 653534.0223 680951.8453 773784.8233 640210.2351 561501.3026 916889.7663 506105.5683 735666.3026 601672.2091 705082.9101 156.1897 158.4495 156.5144 145.7859 147.1766 147.2289 693631.4563 714170.9759 710496.7681 688894.4246 695601.5351 707265.3977 697192.9070 713678.6388 696901.6963 706427.4210 675845.0602 610024.4164 543892.5371 672462.8564 889345.8885 514460.5803 632080.2866 688187.0211 619321.9169 855166.7537 648197.1987 657603.7614 667591.6438 541668.1322 635779.4250 758378.5668 528544.5236 782351.3699 718139.1366 740395.0322 733757.7068 555277.1985 646997.3753 910033.2850 596827.5699 777124.9797 858725.2780 985728.9798 697927.3028 790303.3654 724396.8441 774462.6384 743690.8513 682079.5384 873385.6395 571882.2141 606878.6500 857703.1747 769022.0768 602073.4012 725458.8158 738017.7464 595376.9630 PE(O-40:8)>PE(O-22:8/18:0)_and_PE(O-18:2/22:6)_feature2 PE O-40:8 253586.3361 274785.6379 370648.6075 160059.1472 200977.4902 329483.2644 194006.3931 261119.9335 214757.5190 222651.4759 178.5247 180.3258 180.9379 158.1836 171.0370 152.0974 263608.5160 258766.0860 247083.1303 257341.9004 249952.7775 253791.3754 256152.8431 258975.5639 259940.2078 216256.4753 399879.5693 306002.1246 296122.5590 252392.8033 324109.7273 190198.4941 245055.0328 250379.3703 214633.0826 284515.2002 221190.1147 224602.9894 219618.6911 204818.8184 231732.3438 333144.5629 191956.0552 304426.7999 251938.8229 258568.7253 261566.9935 167282.4316 209230.2441 369830.4855 235728.9821 293216.2603 298112.2018 337846.8320 244678.4192 279716.9606 262349.0484 254294.6061 258886.8048 262891.7571 303907.0266 228549.6297 208334.3701 319453.4493 300793.3859 381621.4804 272755.3600 276088.9844 218271.6134 PE(O-42:5)>PE(O-20:1/22:4)_feature2 PE O-20:1/22:4 47311.5186 38177.9304 66128.7541 48534.3208 35304.8909 58189.3739 31106.4900 54150.7067 49632.7344 40343.3141 101.3679 108.0555 81.3976 81.6446 115.6072 123.4920 46951.6007 41375.1156 43537.6372 42680.6145 40103.9199 36520.0661 61445.8476 39462.0227 39006.1663 49399.5807 47336.9997 51188.7539 42560.1835 41898.9971 43012.6963 27812.7224 33357.6868 39331.1948 41055.4898 56649.9628 43721.3841 39247.4517 42094.9640 32775.6090 40013.5055 41649.6718 32768.2900 49318.8021 43545.4299 43576.4279 46161.0598 32599.2613 37696.9379 45629.0121 50398.6580 45401.4635 42255.5649 56999.8997 43533.7064 66142.6307 56582.7536 42732.0105 50580.8049 51875.2987 42660.4834 39175.8327 33501.9518 57361.2856 58381.7867 51529.7218 58129.2506 50245.0141 45978.1042 PE(O-42:6)>PE(O-18:1/24:5)_feature2 PE O-18:1/24:5 58143.6415 66363.5317 82916.9700 66022.2496 48031.2553 88535.1802 52638.2387 74312.4078 60933.3406 67352.3952 189.4562 173.8711 177.1817 179.5263 195.9558 194.2888 68115.5105 68970.3401 66778.1170 64549.5389 66886.2105 68945.4884 67975.4468 65723.9873 68908.3521 68966.3661 62712.7143 55759.8396 56199.5693 69641.7628 85855.8108 46171.5081 59079.8905 68446.3210 56561.0893 82829.9112 65960.6506 64790.9325 61754.2736 51238.0285 60191.9662 71599.7598 50894.0214 77555.4916 67037.5831 64848.9274 68043.5284 53969.0869 58527.7660 85814.0248 58771.9282 76678.7236 72567.5462 89177.7827 63718.9244 69814.3146 60551.9556 71697.8497 69189.3589 68327.1002 80550.2745 61846.0699 55434.1665 95280.8267 80535.4060 64568.0442 79005.3241 84642.3227 72424.7364 PG(32:0)>PG(16:0/16:0)_feature1 PG 16:0/16:0 2511880.6680 4134965.2610 5749387.3190 3662271.4860 2405455.6360 6495062.8910 2626992.8900 4703683.9200 2965307.5780 3711272.6610 287.9816 196.6954 201.4056 160.5846 151.6767 288.2620 4776093.1980 4188340.2730 3522850.1380 3647112.9400 3704261.1720 3802713.7820 4225425.1900 4338124.8530 4202447.0010 3673087.6240 3310893.9090 2290397.1740 2254266.6590 3736841.6210 5819669.4840 2111174.2680 3213778.0880 3583175.8220 3016480.7970 5403452.8410 3080262.0170 4047290.8260 3070661.6590 2426561.6470 2895146.9270 4751113.3320 2145270.1510 4961622.7180 3454064.3640 3808455.0830 3864238.9040 2160196.2190 3178857.5800 5868592.8760 2860581.1680 4804636.0990 4737226.5630 5673365.8790 3489890.6680 4024564.6680 3001221.0460 3956400.4880 3889347.5220 3267166.9710 4741347.6810 2760555.1650 2548818.0630 5409600.2500 5240360.3100 2902468.6910 4075332.4180 5129794.3460 4217145.9690 PG(34:1)>PG(16:0_18:1)_feature1 PG 16:0_18:1 2763295.8330 3408625.7580 4529006.6930 2914768.7530 1949620.5500 4993977.6060 2045022.4490 3294057.7470 2386365.9430 2860718.5690 346.7065 310.4929 304.7938 261.8137 264.9437 245.7240 3403044.6740 3046646.2870 2878818.1260 2814743.2160 2841645.0970 2878415.1620 3059265.2840 3214839.4280 3165735.0110 2342097.2830 2346445.2400 1765242.2240 1728585.9900 3016163.6540 4517666.1470 1867886.1850 2073879.0140 2810530.7420 2297047.3540 3622525.4490 2311691.0970 2805213.5580 2309849.2480 2048564.4680 2440768.3890 3985311.5680 1841827.3420 3845198.7410 2630239.0900 2865955.5730 3040211.2840 1799891.0760 2358061.9840 4449818.8490 2298490.6540 3788570.0670 3649240.0160 4449092.0990 2610940.8780 3047763.1110 2607329.8080 2977820.5460 2818099.9360 3035556.7560 3643428.3540 2433569.7830 2187125.5860 3934594.3340 3851568.8820 2260537.0270 3185729.4790 3627422.9370 2783188.9330 PG(34:2)>PG(16:0_18:2)_feature1 PG 16:0_18:2 1189875.4640 1422248.4890 1549461.2230 1348228.6540 886241.6212 1639362.9210 959046.2337 1404657.0420 1101449.8490 1155882.1160 150.2609 146.3312 148.8847 132.4257 133.6579 128.7549 1223172.1740 1108164.6790 1233674.9040 1205231.0260 1217508.0780 1195049.7930 1173285.9130 1214680.0730 1171070.5470 1063613.7920 1052726.4230 705509.5339 718061.2661 1066194.0130 1473757.3110 770728.6906 1015501.3290 1067287.9290 1060519.4940 1536118.8750 1022915.5710 1252709.0220 997656.9489 877937.2218 989438.7568 1291782.4290 826705.7174 1200401.3540 1092348.2030 1234622.6420 1134234.2980 895186.0132 1049227.3750 1438097.4100 1005530.9700 1340544.5210 1352675.2280 1531412.8090 1279235.5570 1482693.5430 1217575.7230 1360267.3330 1250692.2240 1231318.6550 1306372.9590 1005039.2650 886871.3446 1438232.3450 1384606.4210 849375.4405 1077611.3970 1219387.7130 1167403.4560 PG(36:2)>PG(18:0_18:2)_feature1 PG 18:0_18:2 37430.8991 38509.5934 45248.4055 41272.5950 29811.4198 81157.2305 26403.3978 43012.2002 27789.9941 36560.2238 203.1776 200.4010 201.3240 133.0393 136.6686 129.6284 40077.4944 37344.9966 36908.2419 33699.7304 30413.5876 39177.9530 31127.2586 33812.3545 44064.6964 52799.6868 42278.3508 31831.5405 24333.2946 46764.6539 45525.2083 29021.2208 25779.0039 31844.4049 30450.2549 83017.1642 33531.8274 33051.6512 39195.2236 42448.2493 39536.0011 37807.4242 27315.3757 40926.4605 48311.6935 44618.0138 32930.3566 26807.0350 32262.6229 40671.3964 34532.9575 31767.8834 36971.0272 41525.6606 31916.5066 50350.8763 42796.4526 38194.8944 39859.7194 26043.5296 46388.8946 33121.0046 35361.4741 39423.9465 50748.4933 22827.4790 47639.1324 47744.4287 34504.0359 PG(36:2)>PG(18:0_18:2)_feature2 PG 18:0_18:2 230577.4969 278867.7434 362289.4507 244048.7461 180122.5835 331152.5273 162058.2572 283095.0822 201535.8934 220155.6423 184.8140 180.0560 183.8157 162.3647 170.3662 176.8005 240494.2139 234477.8694 218200.8008 207654.8092 216178.8502 227222.1584 236578.0772 235971.0123 223774.1518 217236.7206 191201.3199 130882.6239 133780.4594 216509.8390 284943.9633 166237.0500 193316.7992 227108.6260 186982.7772 276503.6036 200922.2813 247159.7204 175104.7899 157899.8041 197407.2761 262386.3833 159567.8830 273598.3790 225099.0887 218444.9021 205276.9041 168121.6451 203025.1959 324791.8639 194183.9210 265996.5410 275250.6625 286704.4421 203667.0200 242342.0747 238775.1437 249112.2023 248432.5498 212428.5373 252630.6958 162523.8621 186391.9731 252061.0256 257254.1680 153913.7810 205157.4563 227544.1880 189722.1378 PG(36:4)>PG(16:0_20:4)_feature3 PG 16:0_20:4 487036.4903 624972.5108 768290.9969 510370.2339 398721.6906 781319.6644 484230.0196 737441.1605 532244.8083 569593.1319 136.2680 137.6289 138.0239 127.4568 121.3655 122.8657 525564.0410 530094.5852 539270.4305 543405.7918 528302.5974 524796.5169 524052.5562 550252.0016 523346.2613 434449.1358 437409.7417 321661.6144 317889.8486 516038.5857 741066.9518 356472.2543 438877.6948 482171.1001 538359.4536 745654.8556 507827.6362 639297.6061 540269.9388 376438.7696 439752.3833 580426.0724 351072.4262 535930.8152 631206.1044 591412.2637 710759.8811 435573.4856 529379.6058 600540.4795 405743.4552 523860.9705 615367.3999 692132.2030 522949.6399 568717.2834 548795.4133 663056.0637 545109.8195 472856.0706 543590.6762 412618.4567 378349.6916 563357.4170 618911.4326 389068.2460 501424.2447 566467.7844 548804.3767 PG(36:4)>PG(18:2_18:2)_feature1 PG 18:2/18:2 55698.2092 69202.3480 71057.7590 51373.5650 40031.0754 84551.0310 44634.7753 67277.8784 52526.2684 48242.1332 128.1425 133.4516 128.4139 116.7005 112.2630 122.2677 56824.5545 59661.2847 58462.8682 56689.1419 57273.5703 57323.6754 57982.6517 56556.9176 59535.1696 85616.2125 79756.5161 52021.7955 47344.1896 52625.7882 78467.1470 39858.2489 54885.6777 57483.2998 54746.9421 86883.5168 59431.0417 56115.9236 45782.7469 41000.1558 50495.2542 70985.6241 41392.5210 70622.8067 65495.9379 67849.9444 62851.1716 47240.2208 53340.4522 74032.2538 38883.9667 59099.3498 56536.0361 73865.0074 64253.3962 77803.3530 66195.7986 59681.0587 64201.4016 52450.9541 65005.6684 47097.5178 48210.3566 70958.3440 83021.4500 44652.6759 67506.2832 70416.0880 57776.2710 PG(36:4)>PG(18:2_18:2)_feature2 PG 18:2/18:2 58824.9184 73426.1414 95378.1115 65224.5543 43488.2242 73235.1126 41614.1390 75268.6007 56621.7970 46160.5599 155.0829 158.9415 188.4874 127.6744 138.6674 125.6703 63961.1825 63936.1374 60067.2924 61116.9997 51747.6330 96108.9161 58004.8497 58197.3482 59329.2666 68714.9359 57524.3016 37314.1141 32552.3115 49073.5187 59523.1358 35430.8410 52280.1286 55863.2086 47207.3733 76147.0757 57164.4156 64573.2863 49175.3291 42269.8060 50741.3705 63304.0496 44321.7857 61518.8647 57015.5755 55384.9019 50825.7976 41470.3252 98667.0677 88451.1710 51149.2197 52806.9256 59502.3378 70067.0680 64758.7534 76206.0421 61413.7697 71143.2292 62915.8131 68339.0460 66647.8406 50497.2866 50551.2327 74791.6106 57589.4294 41919.6246 54409.9984 68608.3592 47727.5033 PG(36:5)>PG(16:0_20:5)_feature2 PG 16:0_20:5 25135.1299 49483.0563 57704.3539 35877.0032 24849.2306 43549.9088 24482.4851 39756.1516 30546.1192 34439.3790 139.9247 140.1059 138.9954 127.7349 127.9418 125.9175 31200.1319 32847.0286 31987.1217 32648.0100 33212.4126 31947.8408 32038.4032 32197.6837 31857.8500 23346.7887 24133.8689 18648.8109 18451.9155 31851.4983 46124.0103 18015.9110 20543.4582 25280.7483 28393.6032 36246.7338 28779.7183 34434.4238 30504.7456 21427.1306 22492.7901 26291.5668 14724.8012 24570.7324 30113.3150 26508.1414 36389.0838 22922.4836 24092.5891 42277.0390 27022.2759 39658.4176 46202.0812 55304.7679 39903.5389 51614.7053 38992.9238 47445.3039 34455.8036 41631.5185 35703.5253 31146.9595 25334.3130 35139.5827 29649.5343 21976.0022 27033.8027 29844.5821 31856.2456 PG(38:4)>PG(16:0_22:4)_feature2 PG 16:0_22:4 47066.2331 58900.8057 68272.5976 52234.5131 33055.8037 66111.4726 32475.0674 65920.9325 52139.3753 39361.2490 169.6946 166.3960 165.5279 120.4012 120.1304 119.1377 44233.2153 47458.5465 41548.5819 50120.5271 40407.8586 42958.7732 45125.8757 42374.3113 48349.3056 34671.2791 27732.2776 25609.2957 20952.7883 47884.6225 50709.1766 30275.1992 43606.8009 36983.5096 45604.2880 57644.0409 47135.0944 58728.6018 51212.8323 32512.1277 42704.4394 52961.2820 35235.9470 48828.4037 56255.1602 48174.7382 65080.5335 37369.6834 45813.1754 48049.4154 36872.4678 33152.3288 44526.6618 57001.2443 46732.2253 50040.4735 43838.2670 54183.8237 57402.3500 39767.2949 49925.0713 34985.3939 31755.6769 50928.4538 51458.3630 35942.8402 44537.9468 56770.7073 43228.3550 PG(38:4)>PG(18:0_20:4)_feature3 PG 18:0_20:4 142933.5982 197398.8388 251901.7922 146454.2303 114051.6644 237554.4275 129344.5730 212047.9152 148939.1572 158793.5262 149.9687 151.4815 144.6437 132.6940 143.4709 125.3673 162665.9095 160253.5697 152269.5432 154380.0749 151605.2510 152377.6418 163463.9475 155823.0075 160734.5225 128436.9416 128243.7675 84897.2400 82967.5807 149510.3179 232698.7923 102523.9091 135993.8179 151163.8177 146411.2592 214791.7830 143692.7319 176088.0361 142867.2153 111425.9526 130090.5209 194541.1195 102912.7075 172706.5275 177380.9365 174783.6634 187658.7104 118176.0653 161162.2903 214649.1992 119959.6939 159497.1474 198672.9597 209698.3921 129127.2826 152313.7316 169925.6095 176703.7713 158135.5910 134779.9317 169087.3606 105734.1815 102801.0170 141871.6777 173754.6928 87607.4451 132680.3423 143963.7894 131974.0332 PG(38:5)>PG(18:1_20:4)_feature1 PG 18:1_20:4 48079.4612 52087.5493 64327.8563 30012.1424 28667.9162 181151.1097 36482.1148 54370.2060 35865.5691 39121.9440 148.1499 148.2487 146.9815 129.4867 129.6180 127.4904 43200.5015 41306.8299 41195.1297 42976.7312 44640.8053 40226.6217 41757.4195 45374.6933 40393.5449 43804.2018 42281.1490 66728.1423 29817.5305 97950.0335 53721.0713 29642.6372 45882.3826 38958.1542 34643.8051 113756.1322 79545.6263 43202.2674 35143.2595 32937.8400 35666.7924 53204.3823 31598.1864 51897.1376 45718.4684 44670.7321 47320.5331 32709.1192 36469.9310 51522.5050 31714.3469 40069.4768 41929.8033 49902.3994 35874.0531 39462.6029 40363.0561 49290.1867 39253.0653 42237.2751 47290.5275 34001.8163 31626.4364 50502.3858 38514.9798 34526.4274 98648.5188 49593.4983 39135.4893 PG(38:5)>PG(18:1_20:4)_M+NH3_feature2 PG 18:1_20:4 193442.7310 225305.4790 319604.5651 218774.4233 150832.9626 299662.9060 177152.9758 258138.2489 197263.9631 217206.5917 149.1685 153.9125 149.5225 140.7289 131.7532 133.8965 191365.1784 207840.7119 200163.9367 198268.3483 204454.8654 202108.8585 198915.1842 201461.0480 195884.0464 160038.5789 149307.9829 105448.2856 106167.7573 187342.8376 246353.0450 131510.2347 156597.7092 181303.9345 179265.5330 242811.2963 176786.1318 226332.5517 190124.9115 138621.2876 162914.9133 210317.9556 130886.7310 197729.6871 212550.2765 194259.4519 222046.1017 150651.2497 183322.5019 252042.1330 157006.0731 210674.9455 232782.8010 267942.6741 210869.1177 233036.6239 209899.3051 245011.0202 219059.3690 199493.0665 215188.2217 150941.8309 144743.8820 219513.4334 236514.3016 133995.1044 196193.1980 199329.1226 181107.3192 PG(38:6)>PG(18:2_20:4)_feature1 PG 18:2_20:4 53269.1597 58826.4339 66353.4713 41937.7205 32024.5445 78584.5497 39643.3880 59388.5219 44087.0909 43882.1908 131.1853 130.5321 137.7145 119.0476 116.0926 119.2162 46583.5553 47660.9615 42808.7609 46033.3361 45847.0053 48959.1031 44839.0504 43945.9301 47701.0413 53406.1753 50645.9388 33414.5341 34438.7419 46826.8052 57586.7355 33150.1191 50636.7802 44385.3550 42344.3217 60300.8561 41073.1163 51191.4188 37781.9388 34672.1890 44897.6378 54121.2176 32287.6919 56263.4708 52227.5889 46167.9742 50316.8954 33841.0977 40855.5479 54835.0933 37128.7857 45310.8188 41359.7243 53979.7598 43316.1978 49850.2207 46849.5193 52424.0577 48705.5365 46797.9620 50648.1414 38868.6523 33615.4156 51427.7490 58339.5592 36239.3325 50432.8080 56710.0397 44736.3608 PG(40:6)>PG(18:0_22:6)_feature2 PG 18:0_22:6 31118.5135 40259.4532 50053.8348 35281.8507 28816.6465 48038.1546 21994.8760 52644.9476 33121.1817 36538.6613 175.1089 159.6571 163.7789 129.7709 125.1684 121.2145 39734.0990 34959.0746 44847.8672 44807.3474 39018.0254 35614.7891 34500.3710 48801.5038 37380.6640 22933.6955 26883.9407 19569.8087 18175.2867 32281.9982 53557.4544 21665.8425 31987.1172 33477.1510 37378.7330 41938.1170 31505.9620 32077.2464 40167.9283 28238.6902 25265.9613 41491.4526 27697.3824 40760.2798 45544.3151 36754.7651 50206.8771 25902.1514 39191.7634 62563.6559 32853.3620 43184.4932 48846.6787 55704.4484 29344.6614 36454.0506 48270.3388 51309.5268 34283.2445 35016.5909 54373.2309 25468.8228 22515.5337 37549.3612 36266.4647 22907.9068 32758.3422 32265.0782 27083.4509 PG(40:7)>PG(18:1_22:6)_feature1 PG 18:1_22:6 79045.1361 78447.5440 110289.3200 78260.6106 59238.8148 107341.3592 44931.4426 75586.9916 58362.2936 70888.2822 168.6818 162.6422 166.0221 167.9441 165.2727 158.1342 76408.1018 70685.9856 68826.2220 77276.3036 65221.4788 68955.7621 69704.2575 85196.9386 67230.9204 58223.0454 59803.4031 44443.0889 38353.3694 78298.3254 94972.4797 51423.9079 87553.9473 67353.0447 65530.7723 88304.4910 57473.6996 70285.4049 66493.6955 64785.1769 68786.6779 81914.6468 47157.7666 93623.3744 69946.8677 69751.8042 92327.6951 52814.0635 69563.0371 105829.6730 66129.9953 93395.8728 96382.4649 110984.6267 61343.8849 79658.5471 76942.8232 77619.4419 71128.8950 83793.8716 77448.3813 60437.8541 68717.2963 82161.7367 83015.7809 53395.4313 67387.2795 67534.5321 54547.4204 PG(40:8)>PG(18:2_22:6)_feature1 PG 18:2_22:6 98250.3565 118341.4678 136779.4077 95803.9363 72139.4721 129861.4948 66400.3050 115110.5224 86050.7690 95373.9242 175.2738 181.6863 194.0597 149.6751 150.3894 156.5687 91694.5154 93776.6696 94559.2534 93167.1242 99508.1433 91834.0332 91503.0158 93612.2166 93922.7021 80447.9225 76809.3505 57996.7099 54490.4619 93757.6872 116231.6707 59042.1861 95634.0629 81703.8072 81683.2595 107634.9868 82453.7573 94302.3742 78988.6205 62276.8862 72573.7354 98119.7055 55524.2219 95342.4409 100283.5663 93242.3970 108077.4422 67881.9797 80501.1334 134594.8777 79836.7432 105481.2239 127802.5942 146674.6183 99597.6776 113494.2154 106536.2787 115286.1108 99081.2280 97954.8795 108157.4431 78095.4477 72897.9743 104929.6198 98568.3924 63459.2593 87431.2739 97774.8017 72921.4640 PG(44:12)>PG(22:6/22:6)_feature1 PG 22:6/22:6 30669.9750 38378.9072 47310.0204 36677.1444 25133.9611 31159.5263 17252.7384 30394.6477 25007.3763 34308.1655 121.7002 124.8984 125.4151 111.4560 111.9049 119.7564 30736.1058 29624.5488 29460.0955 29900.8708 28551.7844 28267.6589 29440.6037 31060.9124 30218.0895 18055.7875 16259.7088 15761.9544 15475.0145 32292.7119 34819.6436 15437.8621 33065.4624 22393.5731 24197.9043 29260.1737 24876.9056 26193.7043 23419.2179 18686.6322 19943.7504 25546.1947 13981.1995 28469.5175 26433.7974 26621.5175 36124.6948 20375.4511 22041.3214 54895.5239 31112.1428 40254.7467 56591.6590 55595.6790 31202.1815 41437.1458 42378.2367 44057.6510 32864.7426 36671.9852 37338.3525 26027.3932 24537.3364 30257.0734 24438.3115 16521.6132 22096.5585 23090.5227 17984.8887 PI(34:2)>PI(16:0_18:2)_feature1 PI 16:0_18:2 37125.3651 35614.0611 46090.7521 31382.9364 28871.1326 56739.5963 31045.5031 47569.7388 65703.9133 33725.4064 146.4041 147.8356 149.1625 132.4121 128.3474 131.7536 40669.8999 41040.3867 38327.1144 38493.7814 39462.0608 39801.9246 42177.3263 41161.6848 37954.1282 30466.1721 31688.9226 27225.9691 25446.5395 36668.4244 55148.3278 24151.0575 33762.0852 32884.7425 29773.1096 47778.1683 28511.1348 34465.3265 31835.9506 32824.9733 33716.8467 41687.4128 28944.5714 37104.7880 40478.5928 31563.6843 39203.8041 30739.4699 30208.2696 55074.1182 25460.3996 33282.7696 40164.1626 51689.7380 33406.6815 64110.9242 33564.1633 48172.6485 46324.6575 49503.8567 43176.0995 41055.5407 35205.8241 59220.1757 65851.3801 40398.1393 57581.1258 47741.4851 37178.9281 PI(36:1)>PI(18:0_18:1)_feature1 PI 18:0_18:1 35535.2158 22503.0996 28147.4779 22839.0618 23053.2213 37670.3677 23685.8740 26884.3789 54166.6824 23549.7900 167.5667 167.5904 165.4900 168.1740 178.8569 157.5569 27712.7008 26768.1699 26251.8374 26810.4571 26050.1911 28243.8576 27931.9825 26191.4141 26746.5001 21880.7284 20341.1834 22994.4635 22432.9560 24233.3332 37613.9619 20279.7245 26084.8272 27825.9426 20596.0244 26250.4213 22218.3086 17018.6936 23096.3951 27516.3017 22948.8882 30811.1378 20378.3065 25763.9777 25149.2250 19041.4186 22935.5893 19162.2654 19897.5492 33132.4115 17067.0040 22067.9149 25628.2253 25161.0785 21229.0255 33257.6912 20318.6777 23311.0397 22216.4935 28789.8858 28254.7459 30146.9548 25739.0325 34755.8570 43350.9051 23515.6150 33138.7441 27361.7837 22311.3941 PI(36:2)>PI(18:0_18:2)_feature2 PI 18:0_18:2 80383.9312 63318.1260 81943.5177 55034.1389 49903.7576 108309.7160 62173.4884 82864.0017 125882.0783 67547.9600 152.4604 154.3880 159.0635 144.0707 149.2614 144.0978 77844.2722 75673.0633 72444.1557 73784.0985 71747.5050 74496.1254 80500.5480 73184.5979 75110.9693 52516.5261 58843.8313 47936.0403 50764.0823 63013.5837 110360.1088 45855.9280 67124.1662 61297.1707 57426.4497 84504.6404 52705.4964 56399.3579 52875.7087 56767.0821 53737.9731 87175.5198 50864.3075 76359.1894 76749.9232 57507.5966 63502.1036 51001.9413 59675.1506 110095.0258 42580.2834 63694.0933 77750.8752 88125.5468 62443.6445 114800.3542 62016.7591 78171.5545 73569.6455 77880.4753 79678.0810 69881.3084 65418.4660 96001.8938 127527.1538 63071.8120 99360.7220 80148.4236 63187.9001 PI(36:2)>PI(18:1_18:1)_feature1 PI 18:1/18:1 25346.2017 22684.0948 34728.9690 20719.8647 17233.6151 43090.8082 20788.9321 30184.7503 34332.1459 19915.3373 193.9177 188.3904 186.7182 172.5735 168.0387 161.7714 28201.2374 26332.5780 26944.8292 24330.4260 26104.0375 28340.7719 27476.6433 26534.8433 26559.2312 17236.6980 18154.5391 15657.4543 15783.6833 27284.6531 41144.3280 19429.7818 27028.6906 24391.6348 18674.6578 28847.2957 16773.5541 21955.1890 18155.1977 21248.3635 21465.6909 40481.8872 19755.1661 34621.7650 23602.6701 20567.7405 23097.4598 17892.2310 20714.8018 40480.3226 16784.9564 25332.0253 30416.3240 33608.7658 19188.8594 30277.4213 19535.1789 27799.1703 26363.0883 34409.8523 35154.4716 26145.0181 22544.1964 36866.2427 45322.2308 23730.0796 37594.0653 33116.2133 20786.0173 PI(36:3)>PI(18:1_18:2)_feature1 PI 18:1_18:2 36316.2189 29257.5382 42825.6010 29836.7319 24801.8703 56631.7572 31020.0685 44588.0502 53752.3632 26535.2972 144.9058 152.5626 152.9016 137.2949 128.5931 127.5497 34286.4624 35941.9891 37457.6035 33705.1317 33820.7868 35450.5531 37817.1022 34615.4411 34505.3229 29928.7061 30482.3491 18955.0475 18732.5570 34742.3273 52696.9402 25501.4514 35162.7170 33143.3607 25813.3747 41207.3818 22656.4676 32258.4202 28030.7931 29292.8354 31544.0517 47587.9630 31014.7820 43568.3638 36811.1305 30475.8686 32190.5335 28606.4603 28879.5824 56101.8324 23777.0092 27489.2127 37985.1540 50635.6156 31564.1445 55049.9257 34583.4126 43553.2039 38489.1771 42649.7110 42118.3301 32175.5743 30356.3855 47933.8313 60276.7895 29827.0562 53098.0676 43537.5845 32077.5568 PI(36:4)>PI(16:0_20:4)_feature1 PI 16:0_20:4 125520.2810 116472.2350 155584.9269 104526.9038 83115.9118 200469.1425 101708.6584 147753.9060 207652.8007 118172.4391 130.9604 129.0257 126.4031 120.5847 123.6611 120.7682 121822.8089 122774.3966 124383.1309 119814.6085 122050.5950 123588.0963 129857.9082 117633.8870 121175.3250 80216.6280 83921.5888 78168.4379 81156.5545 113392.6510 167204.8935 82759.0698 112816.7273 89176.3879 106497.6808 133995.3807 76072.1757 102981.9896 100044.4008 93310.7507 91301.3772 136092.0005 85019.8263 133566.7484 121323.5897 99459.3892 123247.4988 97021.3157 92223.4722 155046.4376 76281.0586 106757.0462 127027.4285 160944.0957 109669.6173 172194.2356 108298.4245 146271.2484 130728.3793 147177.3902 121388.8928 120158.9246 111456.6790 161987.9208 172291.1253 114357.3750 154024.1083 140777.2667 114130.4951 PI(38:4)>PI(18:0_20:4)_feature2 PI 18:0_20:4 1789645.8100 1645948.0350 2148351.1360 1481254.9400 1123537.7330 2790554.2430 1329565.3160 1996375.4540 2529652.5870 1560050.8060 135.8767 125.3646 127.6729 113.4808 115.7831 108.1023 1948276.8790 1829996.3020 1632255.0200 1748800.9900 1710931.9490 1742535.1330 1913330.8680 1835500.6530 1791249.0920 1429389.0030 1429492.8480 1342032.1210 1392895.1260 1647198.2240 2778266.6420 1113241.5860 1666617.0370 1538020.9550 1383691.8370 2090696.0050 1149386.3850 1403624.5330 1436723.4650 1249021.0890 1393043.8850 2316411.4710 1134802.7960 2156882.7740 1710602.6030 1421117.6450 1570512.1320 1206830.4820 1360712.1800 2532533.6190 1217859.1300 1856907.3740 1985196.1290 2398615.4200 1528337.4270 2327063.5650 1504362.1050 1854601.5130 1775570.9090 1768844.2230 1864568.8010 1418080.6400 1394711.9770 2442807.3770 2686692.9700 1406053.5600 2111648.7600 1922966.1010 1616706.6300 PI(38:5)>PI(18:1_20:4)_feature1 PI 18:1_20:4 136249.2361 135883.6207 192579.6079 117734.5348 93851.0432 220752.9193 128280.1920 172475.9353 223502.3682 119510.9728 157.5863 147.6607 160.6234 145.1244 146.6676 142.8931 144099.5856 142529.3424 146177.0340 146977.8900 144973.3924 145128.1498 150012.4467 142298.3859 141904.9661 106700.2303 108012.1672 86781.4003 86398.8334 139121.1751 222267.8527 99743.7634 129662.9674 122567.4899 113373.2412 167026.5857 88895.0221 124425.0065 118050.3650 111291.4447 115237.0297 175625.1759 109863.5235 165230.3348 138618.9627 117310.1078 133830.1468 108478.4349 115392.1700 195281.1955 94346.2851 132187.1198 160486.0911 200184.4799 121760.5868 199293.1808 134279.9514 165694.4745 157984.3942 166055.6002 158324.0458 127495.1234 117155.6950 192262.5068 204706.9015 122064.9098 185259.8260 151652.1357 129853.0245 PI(38:6)>PI(16:0_22:6)_feature1 PI 16:0_22:6 28482.8714 26273.9884 36142.1187 24065.3514 21703.5695 36987.5828 18577.5504 29515.1169 46253.0669 23146.5339 120.8883 130.0391 125.3144 119.1510 127.9392 131.1626 28488.3177 28055.5529 26738.0374 28903.4386 26539.6407 27555.2351 28724.7102 29001.2706 26992.5547 15052.4850 15483.6046 14377.9740 15195.9386 26312.0542 40158.5447 17027.2795 29341.4757 22969.8820 20567.3895 28623.6030 19200.1093 23273.9074 20651.3746 22962.9489 22647.6139 29756.8974 19789.2316 27519.0718 23572.3624 20612.1303 29648.2502 21233.6644 20292.1926 41693.3478 19353.2156 24873.9213 32145.0868 41806.1963 23474.6937 42351.2001 23596.4943 34491.7777 30692.3564 37917.8333 34342.3004 29898.9570 25682.0012 38068.4724 34640.5280 23775.7651 31741.2523 28190.1104 20919.8859 PI(40:4)>PI(18:0_22:4)_feature1 PI 18:0_22:4 37514.6283 28119.9734 36327.2464 27477.7632 23623.5077 51166.0292 30497.0694 42071.5030 64962.8971 32920.5323 152.1047 149.0863 150.2057 153.7156 151.6227 155.8575 34242.2831 35625.8886 34614.8465 34750.6884 34409.1360 35944.1645 34759.5957 33583.6315 35454.3726 23751.9304 26214.3156 26343.1103 27588.0388 29295.1528 45343.7858 25265.5583 35688.6255 29182.0071 29501.4016 40871.9825 28713.3624 30509.9400 32211.9330 27644.6958 25692.2910 39197.4284 26862.6892 34379.6902 39200.7329 30168.8885 36222.3744 32152.1098 33053.3924 42431.6825 22337.9557 29991.1893 36470.3637 37438.5350 32165.2768 48680.6815 32936.4512 38347.4468 33304.4567 36916.4849 34824.5632 32030.2385 29004.2651 44058.4136 54204.0520 29504.6105 45479.3758 40243.8012 33915.2548 PS(34:0)>PS(16:0_18:0) M - H + Na_feature1 PS 16:0_18:0 44186.5664 46512.3035 52737.7628 48854.0681 39224.9995 49937.5784 38465.5723 46808.1368 42002.5045 42175.6844 185.6681 179.9073 182.7388 165.1095 162.4740 155.4761 46327.6532 45662.4562 43859.1448 43581.3465 42401.1830 44043.9683 46262.1808 45292.7509 45190.3357 38993.5511 38118.0327 36029.1182 35601.5769 46691.2696 50328.5780 36353.6480 43021.6731 42533.6563 41719.4348 44913.8258 39876.0866 44152.2321 38573.8900 40908.3487 38619.9028 44770.6079 34431.3859 45064.0901 40613.1290 40234.5658 44675.1439 34471.4822 37905.7857 47213.0427 40967.8531 46395.6819 47183.8071 49258.5286 41040.5418 41211.9480 40500.0036 45240.8898 41294.0862 45303.1609 44885.8869 42631.9922 39180.2007 48454.6972 46156.4652 38523.9716 42745.4799 48148.6052 43943.7575 PS(36:1)>PS(18:0_18:1)_feature1 PS 18:0_18:1 2695586.6260 2322052.2180 2892596.8850 2295361.0740 2084348.8280 3299496.5940 2304698.0650 2884649.7640 3404686.4420 2371424.6980 763.0601 1132.7267 1309.9772 214.3153 741.4352 636.5298 2420413.1920 2464984.7760 2344434.0900 2375781.6450 2389866.0320 2432432.7150 2481703.7640 2400497.8650 2376680.0270 2667296.7780 2505665.7050 2294817.9120 2459135.5780 2237906.0610 3143318.4270 1774424.7690 2299417.2850 2502381.7620 1911824.0240 2864492.2480 2044959.7880 1898155.8310 2172300.8590 2260675.8020 2100584.6770 2635345.1590 1735680.7210 2442231.7950 2274403.2320 2070370.0110 2175476.8630 1649930.1880 1907441.9840 2869857.1250 1858490.3440 2289694.2710 2121736.0560 2749089.2990 2424656.7070 2951854.9370 2099869.7890 2224744.3010 2316451.5750 2456577.4830 2619867.4790 2319928.3930 2211126.4810 3184756.6390 3144374.8260 1936962.5440 2581934.7070 2460164.7750 2315105.3110 PS(36:2)>PS(18:0_18:2)_feature4 PS 18:0_18:2 297792.0315 299227.1942 394366.8652 275263.1331 235337.2434 385046.0875 274239.4906 325765.0404 433066.1259 258537.2596 218.7366 210.7118 223.8968 202.2463 207.1243 239.7429 301709.7218 309780.1106 298935.7920 308659.9750 309052.2415 301845.4841 319987.5209 306050.6469 293412.4808 315870.2113 318597.1655 270681.9110 269049.9938 299704.2461 445770.8855 212399.1219 297800.5045 292733.5197 231950.0826 354025.8704 228054.3725 223476.5453 236143.6212 260718.7204 259329.4566 322259.0642 220863.5461 317416.0650 284879.9971 242878.9822 241013.9930 215065.8688 225714.0788 403262.8285 224849.7659 318716.4422 305698.0427 425833.8405 292298.6633 439880.5208 283743.6294 298277.3678 322493.0652 357618.5493 361874.8085 328170.1846 297394.2855 449762.2355 428200.0576 280628.8513 376557.1112 330632.9294 331744.0864 PS(38:2)>PS(20:1_18:1)_feature1 PS 18:1_20:1 43134.1426 74153.0925 93212.3988 45248.3105 53960.6505 96377.6069 66444.2823 64062.1540 104069.0206 64134.2451 235.6010 344.9759 333.0051 211.2355 329.8822 352.0399 74620.2682 79664.6148 60818.4412 62354.7283 75850.3780 73746.8117 65944.5075 74420.8223 73306.2762 61079.6345 65009.3921 65275.8558 51715.4590 66293.2177 105638.5295 48607.7132 61931.6155 55603.0992 52908.6958 93847.6215 48134.9827 59799.9694 55458.0762 65980.1388 67011.2433 87282.9162 57070.6248 80764.4625 71580.1842 70492.3318 60443.4461 56500.5089 44209.5380 99865.2223 41128.4468 74028.1426 67780.3336 99765.5548 68551.2985 70022.5612 64978.5601 63487.0311 66045.7835 68554.0565 76176.8714 45728.7793 54555.7174 101114.7678 89168.7184 65981.2155 95690.4083 87478.3151 79906.5601 PS(38:3)>PS(18:0_20:3)_feature3 PS 18:0_20:3 86304.0290 105465.2870 155564.8271 111767.7616 82993.5042 132683.0896 64691.9767 88152.8912 150805.6189 89566.5972 210.5051 198.7023 210.1541 199.4954 209.9488 206.8760 108651.8986 90976.5809 81312.4968 114674.6569 116712.6851 99493.8613 104320.7742 110879.6448 81635.6328 96106.6760 76222.5433 101839.0989 107110.1421 111719.8398 171450.2591 77584.6576 93209.5297 92321.5182 57313.0500 55366.5441 70353.7563 72136.8145 61423.8414 105898.4870 91855.6346 118286.7058 66864.5400 135913.8317 86844.9189 65345.4478 53306.6277 73558.0087 72483.4181 134716.9486 56771.0935 116350.7275 142619.4808 162039.2740 77895.1582 135394.8977 61210.7786 101909.3389 86785.4492 159899.3408 94451.4473 137477.2918 117633.5167 171926.1877 145481.9782 65081.1360 98663.9706 114393.2814 120346.1424 PS(38:4)>PS(18:0_20:4)_feature2 PS 18:0_20:4 1003662.3110 973543.6608 1329768.0340 920178.1600 743918.9505 1550726.8530 980813.4337 1276541.4400 1459119.9890 974303.8398 205.9866 208.6037 776.0144 230.7208 203.6877 242.7035 1024759.1980 1030277.1620 1022933.4950 1037083.5050 1059864.3650 1062420.7220 1060235.7460 1007734.1260 1007757.8440 998256.0024 1012191.1280 889926.8762 882265.5354 946804.9228 1438868.3940 767217.1464 1009366.6820 924999.2575 860756.2201 1309062.9210 841430.4801 896854.2808 883747.9501 847532.0633 931584.9761 1259848.0030 787134.3733 1157922.2600 1006439.8660 937772.5870 993779.2988 779949.5676 908017.9623 1395744.1170 767392.1259 1022202.2280 1046832.0430 1293459.2310 997486.1888 1267689.6850 958008.4638 1076386.3910 1093399.2770 996055.6923 1143834.2590 932070.9454 871002.4780 1308010.3080 1370257.4950 879788.8288 1233670.2210 1115631.8830 1018270.4210 PS(38:4)>PS(18:0_20:4)_feature5 PS 18:0_20:4 147396.6830 142094.3067 147234.6849 142185.5373 131244.3810 156340.9022 148395.8136 149185.8319 199201.4261 135219.4195 169.3433 253.0623 244.5610 164.2144 202.2648 278.3973 154664.8860 132888.1962 139098.0480 139900.0749 100111.5475 155777.8404 149597.0185 141873.9393 136925.8123 172898.1392 156133.8277 151069.9481 148632.5293 133472.9318 159244.4445 118160.1292 141548.0898 152363.6753 119835.2335 150543.3084 133030.7406 124371.2223 135962.1160 141961.1527 89552.1165 143176.0149 115831.9701 128954.4748 137979.1775 124904.3443 124031.7088 106392.9635 123291.4591 154612.6542 120714.7196 144982.5085 122135.7541 147161.2680 131602.9128 170955.6711 124386.5314 154414.7053 136812.2169 143642.7678 156903.8313 145385.7204 137085.1624 151937.2499 174273.4128 142601.3837 93817.2597 143177.9070 143999.5923 PS(38:5)>PS(18:1/20:4)_feature1 PS 18:1/20:4 34500.3238 35706.7744 50305.9661 32835.4177 25193.5027 53562.2268 33790.8687 46808.9154 48530.7643 32670.6259 183.1773 185.1014 186.8314 181.4416 170.1650 174.5878 35515.7365 37690.2881 42865.9638 37978.4875 38509.6606 38947.1631 38664.8268 39009.6013 36133.1603 35865.3204 37107.4351 31078.0721 32738.6610 36249.2746 56890.8637 22666.1343 33247.8348 33061.6610 30735.2054 48127.1017 26497.9753 33454.2525 32033.8161 29328.1241 33326.0353 48322.4934 28811.5705 45376.1217 38323.2569 35200.2338 34297.4054 29372.7447 33763.5363 54794.0390 31773.9483 34684.9956 41287.6165 49236.6191 35089.9879 50701.7337 36055.7860 39677.5965 39899.0406 37140.3838 41493.2415 31753.5348 27961.4793 52234.2482 52762.8990 34007.7726 51004.5079 44822.7642 36793.0562 PS(40:4)>PS(18:0_22:4)_feature1 PS 18:0_22:4 702299.6521 587306.1786 834864.1358 665863.7817 529001.9872 1067215.6100 709481.3848 883671.1031 1062693.0590 655293.1543 211.1438 234.2876 212.2186 207.0937 207.4858 210.3862 716383.6322 741628.6443 725663.3203 755263.5108 738041.2153 752719.3399 755398.2755 734970.1054 700092.2080 638864.7919 641183.4526 562588.7269 577408.7199 627910.6367 972274.8306 568393.8966 716492.3113 684342.2255 606263.6027 930663.3513 592194.0914 635906.9548 688854.7132 624460.1686 675732.4735 916628.9362 568274.7869 821318.1657 697129.5228 661375.9809 728441.2182 579139.8167 683086.5260 909619.4776 548934.9339 700622.4426 715160.5024 889204.9694 691345.4682 844008.8079 619192.2535 724148.2800 719785.1723 692225.6162 815828.9002 631472.8816 631593.2889 939412.2314 1017798.9840 671693.0841 914913.5667 820305.5141 779657.4350 PS(40:5)>PS(18:0_22:5)_feature2 PS 18:0_22:5 223009.9578 248046.5385 337057.1990 219090.7773 183103.6640 411031.1421 254695.4696 321434.1730 379770.4207 255613.8668 204.4956 207.0750 213.3397 198.6563 215.0854 193.8731 248661.9804 246735.2034 247155.8063 251238.8950 259252.1333 251489.2124 248634.4278 246773.7316 246878.3488 222261.7428 242236.2756 201894.0300 203128.1976 212682.3176 366016.9581 154608.3049 194391.4849 191929.5620 206439.7772 309088.6276 193974.8552 208207.6783 216813.8099 171263.5492 184420.0908 244172.8297 144530.6632 231374.7999 239394.9135 210298.7495 233128.8339 173185.4444 195501.7931 327475.8575 183260.1571 256967.1097 276554.0931 346885.5065 297910.0734 398342.2386 293530.4606 317527.1796 306918.2210 271698.5945 275461.3353 234807.7072 202691.7777 321881.3054 320850.1075 198460.6099 289480.3275 266780.2434 259156.0805 PS(40:5)>PS(18:0_22:5)_feature5 PS 18:0_22:5 42205.5939 37519.3479 48273.1104 31413.8552 30792.1107 39424.2876 35094.1311 41584.8875 46645.5134 40127.6673 205.6288 193.9197 204.9061 182.5322 191.8994 188.8973 37771.4269 41360.9215 40253.5929 44220.6625 43786.0590 38451.2709 42386.9054 40493.0022 38527.6461 25101.3989 26509.1558 24277.2904 22913.1573 48744.4690 55713.8703 36084.9855 59278.1795 44378.4240 29487.3284 42448.2677 30771.9572 33835.9495 33885.4252 41287.5182 58576.9253 61394.3930 41543.3330 57848.7769 38187.0900 31235.6463 45465.5833 29351.1298 34039.3798 58115.4851 33561.1573 44056.1276 43275.9271 54316.4674 34720.9556 42339.3819 28691.6355 37239.6618 34047.4609 45802.5508 41018.9912 40523.9312 44738.7821 56944.3662 40325.4857 30196.9151 50178.1142 37920.1157 34583.3588 PS(40:6)>PS(18:0_22:6)_feature2 PS 18:0_22:6 20045.5625 25431.9295 29005.8199 22701.1622 19091.6455 31788.5683 16187.6760 23275.7029 21292.8034 24555.1250 156.4221 159.5807 159.9447 134.0990 136.5903 136.4219 23291.3327 23029.8259 21916.9982 22203.4938 21797.3126 25450.7656 22569.7057 23292.8689 21722.3577 16193.5697 16907.3289 15942.6345 16035.4899 25611.3406 27471.5755 18166.6806 24008.8380 20412.1468 20996.5690 24249.1602 20149.8546 21204.6489 18110.5966 17056.1247 21246.6814 26706.1840 16044.1481 28600.0805 23827.8757 21216.4779 24655.7246 17304.1104 22444.2593 30312.1618 21068.2186 26230.9639 26239.8275 30953.7960 20026.3985 21823.5984 21821.4852 24410.3126 22701.4409 23693.0082 26049.5832 17956.1945 17308.3049 26308.2938 19469.4599 14778.1411 17612.5730 20248.4727 16920.5405 PS(40:6)>PS(18:0_22:6)_feature3 PS 18:0_22:6 255172.5885 238818.9167 318898.5425 225256.7175 203465.1549 327857.7158 207365.0157 273519.0549 364379.2840 235181.9110 184.2365 181.4992 181.3926 175.1022 175.3724 174.5793 240916.6305 240508.7962 227086.5851 241204.4057 214647.8207 242671.4388 251968.7041 238367.5587 227741.1889 165474.1370 186965.7611 166877.9267 176626.0911 236819.8666 351492.9887 177332.3659 237628.0716 228173.5226 185675.4523 279724.3740 182309.0317 180792.4840 213568.4241 200407.3789 212148.0851 294551.5522 107838.5879 263725.2705 225317.3557 195164.6419 227546.7091 167356.0213 194478.5281 315659.7636 184953.5855 246754.3363 260700.3905 322637.4251 237336.9033 304599.6522 218427.6411 267659.6366 249895.1359 257538.4142 281272.6762 217310.4058 219561.1902 312320.6203 301458.0089 175636.3091 226048.8571 222474.6832 199652.3614 PS(O-40:7)>PS(O-18:3/22:4)_feature1 PS O-18:3/22:4 207315.0015 216809.2733 215309.5021 192095.5585 173485.8571 254924.8835 191299.9663 224575.7349 203371.5953 212184.1495 176.4821 176.9954 182.7507 170.3966 163.1753 205.5744 225782.0839 216841.3876 204120.0779 209639.7435 206082.8230 209126.8034 215947.0130 224465.5136 213839.4431 203802.9337 207148.6105 181048.9877 181471.7469 210135.3942 230311.5986 187697.6939 196742.3515 208403.9905 209411.5789 232408.4413 203702.9862 225247.4353 209523.5575 191497.2142 194466.6023 232895.9862 184722.6728 231985.0138 219847.5674 215348.2636 211243.8957 192113.0571 191641.3941 228563.2603 190854.1016 232962.8665 231466.3728 225985.8709 201964.8577 199417.7244 193118.6566 212203.6497 212492.5658 199798.4079 218108.8349 194717.3068 181240.3037 228764.9473 223214.1738 190703.0629 223301.3053 240204.8077 206664.5983 PS(O-40:7)>PS(O-20:3/20:4)_feature2 PS O-20:3/20:4 259115.8873 263433.5298 266640.6004 270575.3595 239654.3620 320140.9820 273804.8717 289974.4954 274685.5677 301023.0767 183.2411 181.4925 185.0361 175.9506 169.6899 171.6998 303127.4433 284496.0310 282814.2996 276713.9472 287608.7701 284946.6619 291646.3584 289936.3812 292027.5658 307298.3410 308923.8443 293395.0139 292379.4855 281771.1075 295108.4709 257447.7333 272363.0900 275284.0654 277169.9271 304835.4693 279676.9043 300331.7402 292077.8587 256658.9878 275433.8263 296050.8637 261503.8736 304028.1729 289015.4974 285678.6275 292142.4319 263160.4506 283328.4962 287002.3190 275921.8622 285158.5017 293831.6522 308123.6037 280246.9503 283602.1927 284746.0897 283506.6606 281651.8750 264143.9509 278539.5503 261063.9846 264784.1091 297537.4268 318880.2147 290608.6689 299198.8992 301950.9783 314981.3299 PS(O-42:7)>PS(O-20:3/22:4)_feature1 PS O-20:3/22:4 165191.1691 170515.2062 188868.0038 165571.2253 138520.4946 260182.7594 164130.5523 208630.1633 177735.1631 205670.6649 170.7372 157.8671 222.1553 132.1288 149.5667 180.5819 208367.8811 196530.1351 192294.2589 189736.8260 190705.3249 197111.6652 194035.3967 202742.2071 201324.9798 206060.0813 205429.6662 171000.9312 168915.4215 186402.3731 218134.9675 140609.4573 179738.7801 185572.8678 176675.2990 231915.6886 184517.9150 193383.3491 182322.7780 157075.3860 175679.3825 225881.1031 160183.8064 215908.6149 206696.0836 201682.2871 204902.6466 167019.5340 187193.8545 217949.0828 160178.1777 199588.1769 197476.9030 216748.5185 177511.1437 185591.6001 180570.7397 188952.7479 190677.0973 156783.2347 201844.9782 149163.7907 160890.7869 216264.7425 234783.7450 191129.7148 233961.2703 232584.6365 206478.8726 SM(d34:0)_M+H2CO2_feature1 SM 34:0;O2 257112.6547 272682.1435 352496.0384 259784.9454 193607.4700 319487.5986 186663.3586 268970.4415 215583.8183 219668.4766 154.2000 151.7896 151.5812 138.7714 138.8760 138.1395 234064.6486 247772.9125 230640.9118 238203.6683 225464.7599 242250.7803 239228.0610 237312.0888 236865.6661 189053.3287 180623.4727 156558.0305 154187.5356 243140.4025 307070.7817 179178.2855 254089.5227 230046.6433 213158.3722 273231.7824 212869.7666 240617.3135 197086.2048 179270.7896 221223.9277 286151.1932 181393.1378 271057.6120 239314.7781 241593.7483 243302.9716 175361.6540 210953.4169 267249.3389 213258.8053 211184.6056 277625.6043 326554.5241 235990.5924 241557.9241 238881.1926 239890.4606 239435.4715 87652.6465 268953.3195 202232.3917 199883.8082 295316.7697 271326.5332 206654.8405 233556.2458 260820.7095 225870.7681 SM(d34:1)_M+H2CO2_feature1 SM 34:1;O2 3690979.4150 3853797.5320 4487111.7460 3757477.8700 2968774.9200 5179299.4670 3253826.6330 4056707.4600 3455569.3230 3839963.3860 844.0810 1220.8663 532.3760 770.0250 155.4071 2859.0005 4036004.9700 3897537.1120 3839496.5710 3856674.6370 3879493.2110 3728740.2660 3953295.0760 4022703.5430 3923515.5370 3906924.8260 4063727.5700 3346749.6220 3336125.0820 3696925.3340 4748531.1110 2966202.8430 3597582.5700 3791256.9350 3680424.7970 4622664.8560 3722608.2350 3780475.5940 3629622.0580 2987048.2780 3566150.9710 4317566.0700 3122956.6540 4469359.5950 4009972.0370 4318834.2600 4139201.6490 3333169.6240 3571694.2970 4364020.7040 3237818.1140 3864364.9420 3805756.3940 4386331.7340 4001153.9700 4017069.8840 4015048.5220 4052772.1970 3859401.1450 2633782.1430 4019731.3140 3215641.7490 3237597.9720 4392734.4490 4511867.7650 3529973.3800 4110164.2570 4392947.4850 3765569.0990 SM(d36:0)_M+H2CO2_feature1 SM 36:0;O2 92032.3129 109949.5319 144903.3497 107163.2230 82091.6159 136206.0799 77184.1959 122868.8620 90785.5647 81202.0360 159.6414 159.4405 155.5096 145.2070 154.2070 135.6466 100470.5954 103363.4364 101590.7265 102568.5615 97037.2706 98361.2451 95295.9683 103176.4315 106156.9498 88086.5059 84718.3744 62630.0425 62627.5371 104192.4588 137860.8468 75216.9266 97695.2653 98664.4470 85600.4545 111991.7613 82738.4396 99494.0150 80696.7295 75447.1931 92169.0409 123763.2970 74729.8711 120373.6078 96473.0913 101268.3820 99108.1699 72343.1217 74838.9780 114569.8869 90786.0601 128197.0775 119574.6842 146310.0659 89868.7337 91047.0031 94154.5618 94226.3222 97742.9076 131816.8526 102747.9022 80365.0938 77946.7782 116366.1081 111680.7137 82658.4797 92738.7017 108238.8260 93098.4762 SM(d36:1)_M+H2CO2_feature1 SM 36:1;O2 436673.4830 553171.2419 541720.2846 399185.9447 461580.3199 626277.1516 391716.2600 565701.6477 453425.2495 510786.8263 179.1835 197.4881 180.6630 147.6656 155.0720 198.8167 511681.1887 485869.0244 476609.1592 476961.2803 501590.1674 490258.6389 506544.4877 519169.1839 462800.4778 419802.3282 510137.2956 564759.0054 517157.7656 565356.0034 427361.0307 285279.4301 515531.5344 463018.6780 436579.9481 569023.6864 463854.6251 488072.6972 350401.4230 442677.0203 498338.4469 564410.8132 427195.3761 580899.0277 511396.8209 498155.7273 482484.9762 455479.8107 309904.2583 519215.2857 491426.7107 582993.9960 506741.2292 582655.2218 439751.5999 470660.2015 509307.3672 472796.1143 473523.8209 517663.0733 485050.5944 406243.5291 397792.3339 515730.2313 443216.6592 423113.3960 452566.8124 490696.3419 389327.1116 SM(d36:2)_M+H2CO2_feature1 SM 36:2;O2 44796.2644 50785.9673 60856.5519 52214.8584 40899.2977 66001.5510 37828.7784 49419.0781 42528.6473 44895.6516 161.5176 160.5714 165.7904 163.7409 153.7304 167.2815 65296.8441 48949.2297 46371.6972 46298.7791 44448.9804 48628.9289 46041.1073 47614.2926 67739.2016 53622.4056 72729.1922 48136.2985 48219.3026 54600.2496 62174.8115 56568.7033 48624.5484 46911.3074 44030.2370 55611.2195 64399.5252 37374.5253 45358.5620 56749.1495 46661.8814 56112.0945 40117.3129 60829.4565 45293.9697 51273.9425 45405.0898 56607.3915 43019.5126 56256.3238 65093.1528 57565.3292 72118.8811 79971.4512 53640.9516 60236.4416 49048.7057 48894.6940 48677.1448 61261.5228 51069.2290 53056.4391 40442.2983 50428.4659 50711.9745 39253.0060 41320.1389 46410.6488 53120.0349 SM(d38:1)_M+H2CO2_feature2 SM 38:1;O2 647934.6737 776659.7342 933301.7739 768512.9300 618642.5141 1058235.4890 639728.5165 899708.0793 729686.3913 748109.0304 168.7364 197.3265 181.0844 157.8269 166.3603 274.7644 772786.0003 760037.0244 770431.8755 762689.4337 742080.5100 739880.6081 753034.7931 772268.2603 782282.3868 775307.9973 769601.8214 664834.7152 617017.3804 787944.5226 966150.3749 576552.4435 723620.2917 740258.8215 694725.6497 956857.0669 668792.4799 767945.0752 708593.7886 593739.2009 680195.8122 917316.8676 598443.4641 911958.9036 734749.7641 808655.2975 735256.0641 632249.5749 691266.8043 912247.5734 669808.0424 901030.5549 822212.7957 935694.0738 696465.2608 707503.8505 750391.3892 803248.4274 769978.6769 785620.9051 750960.1630 571082.9904 551456.7741 801796.6038 807300.0209 608237.8515 718466.2715 783184.0035 658100.1362 SM(d40:0-OH)_M+H2CO2_feature1 SM 40:0;O3 54043.3033 61513.0493 66027.9566 62200.2824 52202.0642 66370.5718 53430.0934 48105.6257 58412.3512 57024.4338 148.8979 174.7334 159.6450 155.7365 163.0521 180.8430 60784.6905 63180.4054 61492.0780 48096.3797 63148.8111 47217.8110 61555.3801 62626.9454 62935.0194 57978.6301 58954.7959 52978.3576 53289.1214 47946.9610 69079.5184 40617.0868 57600.0747 55459.5084 54759.8686 64649.3483 42111.1866 59749.9728 54321.8078 53457.2749 55932.1517 62482.3575 52050.3213 62884.0045 58239.5665 50815.3903 60763.4766 51722.0338 56879.0291 67292.9484 58601.7724 62735.2124 59719.5836 67072.7077 61167.7629 60368.4775 57900.4086 53657.9154 59564.3486 62692.4305 62142.7421 57170.8323 56442.3805 71023.2431 49399.8584 57766.2308 60317.6996 63266.2633 61546.0211 SM(d40:1)_M+H2CO2_feature2 SM 40:1;O2 1931010.6260 2490045.2650 2666408.3100 2267826.3180 1878313.2520 2963157.5220 1971857.0820 2508609.0200 2236761.1670 2151468.6320 124.1296 251.0648 191.0404 117.3735 993.3395 852.3178 2284691.6840 2336653.2010 2304538.9320 2289711.2300 2220001.5980 2172860.6920 2272970.0620 2373045.0350 2317216.8710 2305444.4240 2266549.3450 1910739.0520 1754584.3160 2383049.5330 2762387.1800 1770151.7590 2139375.6350 2324214.7600 2063328.2930 2749502.3200 2087075.2120 2433135.9540 2020242.0070 1818239.0760 2129658.3370 2709655.3970 1867227.2250 2800379.5360 2375543.0590 2418312.5650 2365053.8230 1838812.0830 2097320.6800 2707296.8790 2005046.2600 2720410.5200 2466524.1510 2946115.0260 2097346.5560 2279050.1280 2379586.4470 2364001.0080 2402885.0630 2348834.1050 2484638.7250 1814643.4730 1754436.6510 2648914.9410 2390251.5900 1881501.1290 2286535.2750 2472963.4060 2041334.0780 SM(d40:2)_M+H2CO2_feature1 SM 40:2;O2 192539.4292 214163.0241 317487.2603 225427.3727 181177.7202 314442.5403 200549.2099 262202.9907 208683.5816 226833.6657 159.3555 162.7578 159.3605 152.5098 148.6344 148.7402 240582.0565 240091.4086 243969.4166 235424.0371 232705.5321 233753.7802 235675.3783 236750.7769 249392.7715 313198.6257 330388.6720 223722.3602 233932.9815 221649.5748 309820.2847 173719.8909 230403.3821 256584.3591 248697.9805 321382.0478 220556.5725 257263.4921 268622.5200 170787.9511 188972.6990 274162.3028 174730.3711 239443.9213 244932.0418 329599.9522 224723.1516 243398.4694 216958.1167 286709.2666 183669.4000 275903.1705 252040.6402 303488.1930 214560.5723 240474.1904 245593.4221 219396.0330 248284.2087 272977.5018 265320.1866 189861.9139 189076.1973 275621.3061 267982.6867 191398.5796 217987.9749 282396.6221 211951.6240 SM(d40:2)_M+H2CO2_feature2 SM 40:2;O2 428329.4288 498658.4817 620162.4497 458216.3336 380657.2156 700485.6129 382617.1331 543400.6591 441133.7309 454046.6722 196.7592 439.8352 185.2227 162.3581 177.1886 197.5993 508138.2207 503380.6708 489511.3245 497951.6647 488241.1493 485064.9128 507132.3820 502025.4635 503692.9210 486138.3232 477379.6422 371504.4258 362346.5446 510678.1572 671576.1327 349887.0716 451304.7413 504318.1432 430188.4385 632556.2490 435845.6507 477048.1435 437271.2652 378220.1977 439913.6257 602403.0475 394122.2221 618268.1129 528392.1696 542601.5185 544511.3285 376685.4243 441477.0568 608847.9800 449120.8597 601499.1575 566518.0098 700801.4378 461050.4202 501478.9549 479039.7360 506748.1259 528486.6527 488380.3980 557655.8924 388400.8963 375297.0533 603053.4913 539608.1191 402390.7158 531188.6133 535323.7261 460032.0071 SM(d41:2)_M+H2CO2_feature2and3 SM 41:2;O2 58367.5241 69493.7745 81636.5984 66110.9392 50727.8155 98312.7814 51552.7959 69585.1548 60197.7089 67889.5743 164.7457 146.7788 153.1544 134.6413 133.4671 172.0166 79799.8660 79878.0164 71663.6609 76897.2480 75383.4005 74538.4811 73763.3029 78801.8428 80540.7538 73011.3069 63445.7171 57329.5521 53952.5567 71000.6989 97664.5254 55038.2559 64137.7555 76210.7606 64563.5426 91180.5821 64445.8296 56926.9464 60290.8358 54432.1859 70551.0789 88521.2414 53672.1136 87475.8193 74556.6591 72154.0930 67901.5383 54172.7830 55350.8903 99588.3206 68843.3422 90246.1911 80530.9517 96483.2949 77586.7574 85562.9557 73938.1937 71274.5455 76310.2276 79526.5103 96646.2616 71293.1310 69833.5674 107605.1099 94818.3184 82162.8241 91537.2566 93291.3121 80030.6818 SM(d42:1)_M+H2CO2_feature2 SM 42:1;O2 2233417.8690 2611524.5180 3091668.4230 2573577.7350 1973006.0270 3362763.3630 2056501.0280 2632143.1410 2401465.0730 2298967.0620 128.8895 342.7206 391.4986 114.5952 111.4449 1069.4200 2582407.9790 2769506.2990 2507978.0770 2529785.0730 2614580.8270 2422470.1520 2580380.1680 2666424.5230 2671357.3440 2246485.4430 2207730.7540 1970532.1990 1970501.9650 2733387.3570 3032056.0040 2044377.3930 2461525.3170 2533238.7550 2202992.2610 2916993.2810 2201949.7050 2312939.1350 2256224.9270 2184943.1660 2280248.5560 2612589.8770 2019771.2060 2981080.3250 2439724.2720 2350210.5410 2523581.4250 2058941.1080 2144773.9550 3141692.6310 2368424.8430 2998805.0730 2630993.8000 3109970.2030 2551375.8880 2707816.4880 2492027.6080 2914895.1300 2625695.1270 2714873.9740 2872608.2690 2277136.4060 2167025.0660 3316667.6950 2872346.3670 2400844.4560 2636697.2980 2876342.1800 2533311.6280 SM(d42:2)_M+H2CO2_feature1 SM 42:2;O2 732410.5740 806409.6133 581490.0441 529834.6507 407598.8155 678367.3304 391592.6429 749635.4596 678877.2117 697000.4232 161.2467 164.5919 171.9927 128.7898 160.3225 232.5656 536316.5172 570716.2962 569048.3437 535558.2742 511690.3345 766743.0797 527162.7236 530031.4321 524245.4026 707436.2987 622615.6573 562615.7242 496363.1500 543083.0859 637388.1323 626698.8356 684766.8058 513526.0327 478087.9498 1028286.9580 475627.5947 444397.9525 494553.3772 444423.6038 510412.7492 560543.3265 623441.4764 987916.7474 542327.7805 801407.0083 857465.7344 638615.4436 450771.0275 1003794.3840 770059.9595 927084.0980 560968.4489 671582.3951 577157.9490 875708.6104 519523.9868 577880.4754 864355.0324 579765.7959 940809.4006 508958.7075 476292.0047 755284.5714 644908.4008 516046.0545 684333.7736 856231.3659 552422.3765 SM(d42:2)_M+H2CO2_feature2 SM 42:2;O2 2139263.7950 2181895.4150 2611885.1990 2101476.1730 1768783.1490 2803701.0470 1675691.3370 2219692.2620 1889140.9840 1972958.6960 120.9082 293.1692 198.7983 116.5979 599.9682 840.4360 2145123.4600 2128573.7420 2084380.5540 2091955.1770 2102034.8460 2131673.1490 2155118.1580 2118538.0370 2101119.5610 2267575.4790 2221258.7850 1896545.6680 1799480.0380 2143048.3130 2649838.2380 1668341.6510 2120507.3270 2151588.2610 1858957.7180 2495961.2520 1950725.6930 2001505.8810 1915549.4800 1776995.2320 1892628.4490 2646241.1770 1683299.9740 2515547.8730 2186004.6160 2097224.9710 2123782.8050 1730750.9750 1842652.2060 2655736.2490 1846365.8190 2456446.5770 2216310.7350 2625502.9620 2040965.5150 2211713.4690 2050514.5610 2099166.5640 2068802.2500 2303600.0990 2445698.2200 1901032.4180 1860921.2080 2777248.1480 2568905.4250 2009387.6160 2298682.8410 2579024.3950 2172361.8530 SM(d42:3)_M+H2CO2_feature1 SM 42:3;O2 717615.2979 780462.7457 967709.8096 745109.3726 603399.2693 1027480.6240 602753.4447 792277.7886 700772.7301 667579.8717 181.3658 239.0314 195.8365 170.8238 195.8646 215.7472 793247.1078 808007.8170 796181.9985 764656.0820 755761.7322 769929.4726 794192.9888 782550.7628 816336.4608 880846.1166 863158.8412 728645.2286 710320.0054 746784.0047 955928.9357 546748.7846 723194.4757 782793.1251 715826.6214 944129.1310 709214.6500 723020.6886 693513.6665 633188.2281 650136.3103 900357.5060 605948.5102 912320.4313 790812.6715 797460.2951 785815.4682 599106.5565 664557.5418 967548.6476 672855.9114 871719.6924 835722.1465 1011852.8800 748167.2570 878762.9231 763049.2125 829384.9451 812462.6225 819395.8632 889419.7866 708441.1231 644516.0461 974680.6281 974608.2739 726594.6463 880129.1025 945252.2995 804400.2709 SM(d43:1)_M+H2CO2_feature2 SM 43:1;O2 39201.8681 44591.0460 52767.2681 41810.6517 32436.1760 42729.1570 35013.2567 49399.2552 38834.1202 40436.5358 161.2699 186.0210 291.3600 128.9659 159.1101 153.0154 45161.5090 51343.4666 53075.8339 47062.6915 44151.3886 46816.9606 47147.4411 48593.2968 51031.2482 32343.0396 53426.4803 37149.0965 32662.6190 52756.5228 52938.5266 35763.8089 44110.0537 41779.5104 44939.4337 59261.6702 37830.9616 39610.1793 45071.9755 34249.7255 42434.6491 51651.6311 36602.1340 57564.6994 43522.8562 41201.7845 37791.4677 37126.2791 34409.7255 58282.9803 41212.6934 57447.4346 47044.2428 61232.2985 43300.2995 46497.2059 47708.5168 44519.2639 45451.6696 47688.8996 55921.6223 40783.0834 38533.3131 67098.5422 50344.1201 48102.0835 54078.2552 54559.3912 48697.2513 SM(d44:1)_M+H2CO2_feature1 SM 44:1;O2 32745.9040 41694.9656 43532.2893 39795.4993 26178.9246 45560.0777 23739.2761 37759.9566 29245.9587 27665.4286 143.5933 146.6464 144.4370 121.7912 120.7733 125.3080 36634.5213 39769.2175 38752.4484 37578.8639 35478.2115 34302.6267 33695.6254 39170.5598 41309.2553 26189.8295 24286.8195 23352.4788 20535.4481 38842.1059 44908.4659 25574.3325 32079.0683 31881.1608 27278.9651 36196.5524 27540.8354 27488.1443 27500.2230 27641.7738 30751.8289 38375.6541 25245.4981 44437.4245 29651.0704 26520.3291 30562.6915 23183.1482 22792.3171 44373.5202 36722.0291 45302.7429 38188.4976 50022.7799 32860.2444 35888.5760 29565.7194 35274.6275 37451.8272 42598.9576 45648.8794 34630.5430 29004.6015 55579.3874 37159.6436 31869.3715 38291.8835 39301.7081 34315.6349 SM(d44:2)_M+H2CO2_feature1 SM 44:2;O2 27617.9774 33562.2409 40528.3685 35179.9238 23635.0692 39202.9645 23573.9699 29839.9616 25615.6665 28190.3764 121.8271 137.1982 125.3944 107.0237 123.3902 148.0256 33678.8478 35885.7341 32763.8654 33864.6262 29223.0961 32874.0983 30615.0377 34089.8272 36995.8872 32871.8677 29148.4417 30433.4880 23700.3326 32605.7981 40256.6484 22833.7818 25474.7590 32096.4768 27277.6326 34446.2088 27155.0353 28202.7983 28710.4067 25576.0995 28437.8752 35832.8948 25216.7515 38378.6589 30404.2278 31052.4962 28359.1438 25365.7598 23504.1066 39966.6189 31319.1425 36850.8704 34996.6171 41455.4404 30481.7100 32524.8104 31234.7573 30488.1404 31049.1124 38872.2219 42494.0029 34346.1859 31386.0897 48592.6415 35756.0274 30627.3596 34695.8856 40047.0180 29234.1164