Metabolite_name RefMet_name 90245015907 90248015907 90252015907 90265015907 90266015907 90217015907 90229015907 90232015907 90237015907 90239015907 SampleBlank01 SampleBlank02 SampleBlank03 SampleBlank04 SampleBlank05 SampleBlank06 QC01 QC02 QC03 QC04 QC05 QC06 QC07 QC08 QC09 IPE_Reference_Kidney IPE_Reference_Kidney02 SED_Reference_Kidney SED_Reference_Kidney02 90559015907 90560015907 90564015907 90567015907 90571015907 90421015907 90422015907 90423015907 90426015907 90430015907 90576015907 90578015907 90581015907 90585015907 90587015907 90439015907 90441015907 90444015907 90449015907 90450015907 90406015907 90410015907 90412015907 90416015907 90420015907 90280015907 90281015907 90283015907 90289015907 90292015907 90251015907 90254015907 90258015907 90259015907 90267015907 90218015907 90222015907 90223015907 90225015907 90227015907 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 497673.7541 546496.2625 558398.3471 554091.2898 468704.8564 541504.9877 554741.3502 672980.7937 581037.5972 497365.7511 216.6232 261.3925 307.6877 165.1534 286.9623 245.0367 538926.6121 541732.1739 520792.8171 546672.3870 523197.6899 537695.5333 545824.8800 532312.6418 534194.3960 610225.9660 609351.5501 545536.2511 503861.6938 406810.6267 443426.5873 518463.3325 475095.9323 400875.8053 687418.1245 555047.1691 514572.2563 590191.7099 636013.4340 544078.1758 729680.2527 584541.6641 471871.5664 375505.4068 514684.8925 593559.6690 543859.6193 564968.7891 783775.2152 462375.6184 669319.8184 396323.9263 550403.1124 468984.7894 520207.4779 524694.2667 610322.9596 537033.4712 513776.2548 489008.0203 483886.7879 380293.4772 554328.4736 513709.4984 422469.6478 570004.8901 489166.1849 498967.6034 573529.1479 Cer(d36:1)_M+H2CO2_feature1 Cer 36:1;O2 52976.3434 68049.0806 65241.7211 59616.6935 54534.8216 44895.6693 55723.9960 61197.9572 70891.3677 40191.2311 177.4929 186.2625 180.2157 148.9205 154.2381 161.2637 49594.7498 57910.1644 56812.6839 56230.6168 54371.2977 55490.9932 55305.3861 56233.4190 52107.1709 48969.1770 52668.4578 49726.3245 53799.2095 56943.3698 47170.2223 68361.9340 68498.4333 49015.1869 73177.8568 61266.7363 50834.6651 69451.3750 55298.3156 66650.5851 87626.8145 68070.1157 70692.2800 42714.2692 47813.8190 51169.7931 59920.2534 56734.0697 73001.5228 60125.1710 87384.8297 47793.0235 72353.5551 48837.5381 53440.4171 48916.8663 53158.7602 50866.0656 45782.2369 54565.7493 61875.6435 35118.2286 61330.6715 60979.8675 40038.4210 48124.0606 53586.6746 44924.0443 52469.3039 Cer(d40:1)_M+H2CO2_feature1 Cer 40:1;O2 177638.2595 301584.8738 245526.7200 233538.3325 227464.9716 152494.2421 224257.4619 248652.7918 267023.2309 166228.3195 109.5793 106.4216 130.5651 150.9696 167.5832 189.1120 214922.1023 191309.9442 198734.5147 189033.7715 184261.3926 213223.2808 195553.5499 203192.1442 203232.8703 182430.1924 235551.6470 183667.8656 238875.3421 218568.1954 182224.2967 250142.6792 267867.0924 171879.1521 272061.4405 210952.0958 214251.6053 226096.1202 241934.0610 266834.7174 386316.5149 294396.9276 268397.0267 164847.0653 185526.4777 191886.1499 196782.1896 220976.2654 311631.3272 236655.9797 302270.1394 230835.4355 301324.9361 170838.3977 236809.7854 204010.2940 242633.6576 227182.5963 241585.1317 229855.5668 239552.2897 149870.0813 247643.3878 236140.6421 178767.4271 230381.5843 240059.8233 193899.8748 213506.8287 Cer(d40:2)_M+H2CO2_feature1 Cer 40:2;O2 72326.5694 126623.5089 98218.8217 86913.5350 97679.9289 61785.0444 78773.5313 71733.6041 101035.9936 50652.8705 104.0803 124.4088 124.5396 139.5117 145.0412 145.0691 72467.3181 75675.6420 84632.2085 76084.4364 74593.0627 77878.5624 73764.8411 77363.6141 76325.5415 56558.2865 72978.7232 65238.6289 81589.8316 89959.0441 71473.4895 103344.4133 96491.0456 77680.2139 93382.8452 69452.3507 72250.8991 83340.8782 70091.3391 106042.9625 180659.6213 107981.9206 106432.8118 66345.5953 62886.9616 80363.7368 82808.9012 64227.1695 98294.2702 84677.5332 157201.6776 84320.0055 115535.0460 69895.1088 97588.4544 78763.8145 77632.7391 96992.8117 78057.6176 103537.2694 83980.3169 57475.7048 95984.2757 92803.1857 62055.2280 64069.7903 62717.9119 50776.9553 69678.2691 Cer(d41:1)_M+H2CO2_feature1 Cer 41:1;O2 54448.0422 93346.0613 75630.7407 80146.8001 70508.5857 49511.7947 65933.7478 83319.4715 88568.5855 48754.4713 123.7861 112.9545 127.4955 148.3885 132.6754 134.6649 77195.2083 71276.7353 72321.0946 70914.5770 68476.5085 75220.4207 67030.7091 76566.7627 76033.8368 59727.8410 65659.9135 53760.7458 66507.9001 73031.7730 63044.0334 88523.1356 90982.6531 72411.2783 90217.5907 85594.6053 68660.4928 83112.8937 77286.7565 81344.8796 117750.0989 92734.5430 85112.4437 59869.5884 74603.6957 69257.5528 72734.0282 77146.5037 102645.7508 90514.1735 115434.8792 82820.5445 98131.9851 66914.6606 84936.8658 77319.9000 75992.5547 64892.7490 65713.6223 89822.3560 90286.2308 51870.3206 91603.3225 95851.6850 63872.2695 78283.7824 71790.8825 67186.2834 79018.8619 Cer(d42:0-OH)_M+H2CO2_feature1 Cer 42:0;O3 90896.0124 155320.2898 159037.0939 126749.1233 132494.4447 71126.3332 113231.6748 122149.7848 159157.6195 76940.7077 136.2345 138.8386 132.8168 160.9001 136.4345 138.3427 119044.2672 119655.3839 122708.7637 114996.2555 114449.8037 120412.4545 119086.1728 118410.4389 120939.7723 94607.0727 92265.1030 84042.7120 84291.4945 131385.1907 116404.6668 139443.0222 161439.2377 132429.6089 156003.4064 118266.8767 112741.5626 137652.8182 119864.2754 137691.4579 180014.7568 148389.8089 144850.1006 104299.9211 89856.4481 119179.9495 111425.0376 140873.2803 162320.8800 144548.8403 196832.1219 143456.3579 159281.0246 110240.3908 142420.9766 109696.1602 116283.4646 103813.6603 107093.7012 125695.4578 176230.5139 85793.0483 141038.3670 156027.5861 92979.7908 94652.8298 113780.5828 100352.0117 111085.0029 Cer(d42:1)_M+H2CO2_feature1 Cer 42:1;O2 1161060.9810 1409941.9650 1340175.5010 1389211.9500 1316910.9840 1455985.6680 1666406.4230 1976571.5180 2070513.6330 1538464.9290 468.8019 432.5276 494.4746 586.0820 552.2686 586.1017 1557040.0730 1492180.5790 1545064.9630 1462835.2190 1453503.2040 1444993.7720 1481964.8400 1552173.4730 1572322.7400 1787240.6150 1885113.3120 1805778.5400 1963704.3450 1274136.1890 1043364.0270 1239209.8240 1338528.3240 1026684.6820 2231679.8580 1856984.4990 1907059.6260 2196443.3020 1936454.0550 1279148.0150 1773472.9640 1382808.0580 1382680.7160 1036451.1860 1455202.3040 1833724.2840 1820521.3290 1811237.7690 2662956.9340 1383449.7500 1995627.6940 1280568.3980 1634075.9010 1161606.9150 1859992.0060 1749506.0180 1904149.3230 1949883.4230 1760065.6600 1388634.8840 1310049.1510 990342.9701 1489835.3110 1478477.5130 1332557.4540 1882065.4100 1635696.7530 1447389.9700 1867915.4070 Cer(d42:2)_feature3 Cer 42:2;O2 408084.6094 616755.2832 450600.7084 537159.2795 473189.9025 369724.0713 486075.3998 529510.1110 522054.5427 390240.8931 194.1935 183.9089 221.1144 291.3998 340.0736 327.2281 393237.1631 402815.0189 429139.6511 371799.6780 378184.7745 455501.4291 446038.8227 296629.9308 438215.6735 391896.7008 556075.6099 393536.7971 550765.1426 410771.5833 380507.1627 501374.9175 452291.3794 367597.4824 597384.2725 409615.1902 529860.3260 468523.3771 535905.7105 507625.1723 744054.3713 624911.5649 484406.7158 305470.6022 425611.8609 482689.0938 417319.6001 428082.4668 768610.4809 574176.8552 574991.9851 437371.5657 615593.4514 307542.9511 492151.8281 484359.9702 542437.3537 515999.3451 487408.2364 518888.6981 423934.9938 323915.7511 518037.5088 449531.6476 416218.8534 567321.3090 447681.4159 449016.8821 487502.3645 Cer(d42:2)_feature4 Cer 42:2;O2 670156.8650 920820.1669 813348.4031 729572.2799 783004.8313 663187.5901 877778.6657 812033.3181 1114114.8810 632715.5951 469.9221 1100.9298 423.4674 546.1662 498.8670 511.9795 791507.8308 702192.8937 736985.5799 676121.3065 698515.3790 781189.4471 679126.5067 758287.1982 761425.8521 747307.4616 795069.8131 860302.9479 976876.9534 742585.5823 622795.8690 712611.4175 810710.0097 597954.9254 1049506.8830 825958.8775 844852.5432 980647.9422 835336.5517 780524.6460 1133154.1320 791355.3001 761709.0600 555691.9661 619200.1842 904824.1345 1005155.7580 767477.4331 1109399.9170 709235.1729 1202417.5610 756214.3866 1013427.9430 610217.9943 1007025.9230 837549.8627 768834.9422 1016033.4330 1024078.1810 843280.8922 676843.0620 511592.4962 787208.1488 715612.0660 639450.9763 682810.0557 752151.1777 579031.9418 815829.5388 Cer(d44:1)_M+H2CO2_feature1 Cer 44:1;O2 33056.6947 81844.7620 64809.3125 55438.8424 56972.3947 54869.6685 68466.1766 107502.0735 129950.9249 58528.1068 198.6234 190.3964 186.3916 228.6947 195.8717 201.9805 71764.9072 68474.7149 71427.4329 67366.7199 68351.5112 72902.9436 68991.3654 71886.1617 68895.0573 65024.3565 68736.1477 51832.0070 55193.0912 49764.9373 40540.3135 31262.3923 62994.3027 46869.0682 92369.5335 93355.4115 66462.0430 108910.5031 77328.0803 43318.7510 58664.1869 52676.3401 74042.8540 43611.3791 98694.2488 61511.0063 79485.5256 100668.3115 121452.7176 68277.9591 94645.3383 84817.1595 75764.1726 103816.4030 107861.7670 63196.2263 90991.7461 68583.2873 78140.0233 35406.4911 97123.1462 63256.6185 85399.3903 62120.6030 51651.3352 101564.0192 95805.0147 142294.2947 73069.4370 cholesterol sulfate_feature1 Cholesterol sulfate 2544677.2650 2531742.4900 2418439.8130 3143426.0340 2369743.6240 1409696.0230 1755717.3570 1926710.5640 2023201.2360 1592598.5020 467.5566 413.5673 515.5525 840.1688 635.6592 672.3331 2253039.6560 2215347.0600 2164044.1970 2166312.7580 2266163.6290 2273898.4620 2278698.0760 2256669.8400 2116494.8350 1646279.7080 1653684.1090 1723737.4830 1699344.7790 2564997.0690 2226986.4170 2616400.1550 2685478.1920 2137586.2840 2220879.3660 1952575.3660 1849160.2190 2324456.3190 1978060.9410 2590879.1950 3353164.3980 3265907.6690 2464746.4640 2068752.0490 1425598.3360 1724923.8510 1922116.3980 1836954.9300 1994482.6550 3046549.6000 3330598.3070 2445317.7460 2843492.9780 2234426.6500 1907518.1300 1564760.7750 1665289.7160 1829675.2680 1705769.7400 2439541.5540 2555745.2220 2183602.0310 2445717.8200 2492125.1900 1312455.4530 1575216.8890 1649693.2500 1406078.3640 1659001.9010 CL(70:7)_feature1 CL 70:7 19235.7378 29528.2031 21509.7049 24705.9107 20135.8540 16742.8023 17629.8641 20331.0896 28107.5302 16556.2272 197.4441 206.2094 173.0093 176.2844 170.5009 161.5387 19940.7325 19682.3226 22054.7863 21801.0732 21192.3833 19544.4502 20272.5292 19806.2441 21545.4714 23289.5922 20080.9433 19304.3279 17427.0583 23964.9984 21874.1725 22942.5595 25791.6415 16931.4112 27873.4484 17644.5392 17299.0690 27082.9455 20497.5968 25090.5389 32300.5919 21221.3796 19701.4498 14991.0090 12924.1873 19987.8474 20217.4754 16119.1017 21746.9503 21498.7664 35489.6073 21714.7791 24167.5602 20382.9464 17574.3639 12365.5200 16325.3805 20248.9073 14769.5358 20100.5174 18309.2463 15155.6116 23007.1838 20254.6244 9974.8946 17244.6134 14145.5496 9208.6858 14355.5663 CL(72:6)_ feature1 CL 72:6 98275.8480 106511.7380 90887.7057 114629.9794 73163.0194 76710.6032 85785.9843 118263.3088 126101.8724 87435.6770 247.2508 222.3406 241.9734 197.0778 186.2767 178.9420 92301.3242 105654.2660 103249.6639 94312.4416 100432.7683 90669.5553 94280.8685 102140.9491 102063.6969 107678.8839 102866.7776 102303.3454 90901.7290 114572.0422 94574.3599 111047.2568 126772.9900 77004.5726 148458.2018 106955.5840 79870.5538 128491.8517 109659.6467 117456.1448 143315.2539 93688.8464 114867.6167 79404.3561 69950.0457 103123.4786 111443.0741 86353.4199 105000.3184 100928.7103 148844.4874 100750.3806 116162.2743 92012.8377 86867.9294 60254.8245 77450.6625 85722.9636 77712.0466 75990.1903 95054.1293 69556.0675 117746.6339 102361.8773 63348.9321 87124.1809 73080.8271 58755.9390 85482.5149 CL(72:7)_feature1 CL 72:7 240639.6358 304309.7149 214607.5277 279380.8388 231158.7450 202643.7899 215474.8985 265449.1651 346720.7675 215004.5719 988.4682 879.4228 919.3373 1169.6209 937.1782 997.9916 278414.6822 263870.0699 264218.4429 274321.2522 267063.1180 254392.3856 273248.3801 269641.8462 275157.0628 288762.3762 314609.0920 259512.2523 269597.9791 294843.1053 246074.5189 280983.7942 314270.2323 202129.9210 380080.5063 266684.6825 228816.3735 335527.6694 258737.7309 320500.1807 432642.7046 256671.0100 302733.1160 191021.0949 190128.9910 279490.4565 284584.3592 229405.2654 308701.6813 292027.9179 420088.5216 267838.1157 350627.5776 251069.7563 261023.0428 178370.2298 229696.2958 258412.7032 217173.4927 225226.9775 244736.4662 195013.6906 333200.3856 259771.6017 192148.6399 273938.4093 256297.6599 171826.6308 244910.7714 CL(72:8)_feature1 CL 72:8 298213.2101 332743.6584 260438.7931 365989.0922 269976.7458 264779.0229 263524.4622 343114.7047 433783.0096 255380.1336 783.6807 860.8320 791.2033 740.1191 703.3847 301.9808 356946.8408 350992.5687 358589.1660 343830.1141 342766.9102 344302.3637 350827.1672 350859.2522 361939.1707 473348.7579 466969.6849 403456.0788 356549.3506 357205.3427 311860.7029 343499.1989 376839.4386 249241.6136 505729.1274 418239.0306 276416.5323 476258.6299 295641.8551 378975.3368 537295.8909 316695.0125 346998.1341 243751.7102 228332.8080 286312.4110 372811.3767 304805.9613 385987.6826 327889.4747 520054.6209 354336.3252 395862.1179 326259.1606 342527.5335 304512.8850 349813.0650 342642.0298 316494.1787 306532.2456 330782.3137 241700.9627 453398.8966 359440.3109 300912.0797 443717.3647 351669.3267 252585.7790 416139.4931 CL(74:10)_feature1 CL 74:10 50887.5889 57718.5795 51159.3806 56176.3298 57702.5854 61018.5046 47338.6548 54794.8478 70779.2581 53891.3521 194.9842 175.3654 171.8295 231.7425 220.1777 218.6730 72308.2845 54860.2163 58750.3647 49835.7014 62083.3931 51021.8073 85716.0127 53016.6619 57740.6222 59488.9819 73936.7128 56718.2671 56293.0053 49896.7462 53596.6161 55010.8171 55262.1306 39408.2048 82609.9542 44947.2790 62034.9631 55136.3923 49801.7325 68473.6804 82735.4743 49445.8067 65431.2438 45765.9260 50173.6961 56252.1136 71382.1268 71304.5834 67141.0776 77471.7909 61841.4485 65775.7125 63464.7944 48133.1991 59354.3626 37983.7521 50288.7948 50370.6716 46188.5232 45544.5838 44939.3844 49173.8092 67529.8242 45324.5599 48937.0210 52830.0897 60774.7841 43958.4627 45637.2079 CL(74:11)_feature2 CL 74:11 79885.2575 89363.8181 83413.8188 73638.4800 87927.5615 54450.0796 68848.6340 94396.4584 134192.4071 83706.2609 186.9999 178.2271 173.1693 214.1220 196.6805 208.8283 87368.7008 88550.5865 104327.0547 103029.5364 64355.6594 106456.4312 114966.5914 89056.1827 76144.9933 93738.2364 86282.0700 99768.2610 120530.2585 89713.2545 70090.4962 97419.5871 101248.6191 73717.1306 78878.2010 97227.3715 90885.0809 119342.7338 78720.6069 97761.4565 149720.9388 67533.3885 82860.3446 59780.8391 59317.2000 47362.2801 109427.7809 73595.7429 117001.5751 82304.3262 131838.5113 91803.1658 119183.2411 65376.5504 60778.4054 89237.1638 112869.8021 113249.2875 55401.4306 82278.8217 53811.6218 64484.7014 118499.4936 88424.2793 88066.9695 132572.9761 69052.5188 78844.2760 104284.4394 CL(74:9)_feature1 CL 74:9 29975.9983 33127.1291 29937.8905 37547.2190 27202.8283 21123.8970 28038.4300 36174.9462 43947.6778 29507.2628 237.1245 213.6707 233.0115 213.1049 205.3724 209.1027 30807.5355 35538.0182 32400.5965 26654.3514 30274.4512 32364.9080 31559.6349 32015.7738 32754.9125 33418.1591 35946.6980 31696.0442 29851.9766 36661.4437 35716.2097 34092.4333 38923.3217 25034.7165 44961.4432 34287.7296 27288.8164 39179.3296 33726.2804 36814.7827 46167.3502 27886.4351 29938.4406 17744.3951 17251.1526 31584.4705 26012.1490 28551.8676 35655.3970 35791.8274 28403.0414 20001.8247 36946.7150 31610.9690 28966.9234 20133.3897 23508.7559 28468.1894 25917.1077 25793.3079 30743.1067 23927.0577 37763.2737 31111.3869 19539.6032 17375.1348 29833.5366 19717.8466 17184.2642 FA(20:4)_feature1 Arachidonic acid 80159.2313 45201.3680 116174.7291 95061.9691 75522.7820 153800.2881 106902.1347 91176.6393 57147.0575 36711.7507 112.7696 137.9622 128.3527 86.6602 112.8819 112.9718 69226.9189 71781.7152 68419.9555 70153.2586 69953.0040 70008.1495 71042.6405 72149.4822 67405.8120 78437.6336 78595.7976 103619.5008 103052.8822 72315.9244 123322.7196 50895.4924 59243.1637 52995.0473 90228.8628 76045.1050 79572.6012 62676.2202 63801.4689 107999.0405 118216.0768 55062.0849 57279.7650 33767.7139 40002.5736 60436.0518 74008.0204 59314.1823 76259.8466 47504.6941 182431.7555 40220.5054 69563.2980 76809.2382 61010.1861 40078.4508 66275.6083 82078.6019 44402.6915 91672.7827 81519.6981 38248.0022 51503.9638 59091.6587 51595.4396 68275.4007 55331.9358 42948.0426 91940.5048 FA(22:6)_feature1 DHA 54819.7028 35760.6698 78437.4977 65564.1283 85147.4861 62923.4538 55586.0630 52933.6186 41988.6541 23042.7948 115.6041 271.4266 292.8640 80.0666 229.2197 213.1037 54525.7347 50401.5316 51355.1861 48993.2099 52944.9760 50540.9498 55452.2065 48300.7248 52962.1183 28511.2951 22769.1010 44536.9517 34558.0587 62807.3520 74596.5510 47564.7047 77235.5424 36045.6904 70344.4529 46696.8764 81034.2525 49983.3719 42827.0266 77299.0561 91483.0564 34069.8332 61431.0367 40416.7258 34535.2464 44540.2877 44970.8776 39644.1527 80463.0591 44411.2060 146247.5122 33358.4081 50230.1297 110852.0458 56918.2536 29164.9383 48360.1310 66923.3946 31936.4132 93019.1259 64309.1889 33684.1519 43070.4329 49705.0649 28081.1154 31921.3009 39880.0402 32486.0772 51267.2890 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z_d7)/0:0)_ and_PC(0:0/18:1(9z_d7))_[iSTD] M+ H2CO2 108927.3098 105592.2200 108757.0549 111268.8767 105449.2345 112060.7074 106121.1296 105682.2201 104779.6188 109833.2592 156.7015 150.1607 150.4957 135.6281 137.3474 141.9297 107797.5033 105871.5999 107187.5310 112254.9552 106734.9872 106640.8555 108604.8659 109770.2172 105257.7295 110719.7631 106288.3949 112339.0872 111322.1904 108548.1752 104604.2892 113240.0323 104139.7389 111737.9193 113457.3137 109917.0672 113047.3777 103770.4750 111236.7371 109309.6878 109897.6246 106139.2884 104117.8121 110628.7319 110378.5322 108337.7676 107160.0865 111632.3647 111910.7381 109917.4052 106270.2812 110340.9171 112284.1914 113688.8735 105050.2334 106625.8304 103807.1593 108845.5381 110561.8664 124317.2090 109794.8980 112551.6613 111596.3248 111731.9797 109274.8245 112243.7620 110921.6368 108893.6929 113927.5302 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z_d7))_[iSTD] M + H2CO2 419028.7998 420854.3518 454535.4439 427368.5038 456602.6736 438025.4154 457675.9617 418312.7983 408428.5330 436734.1817 243.7775 205.1858 206.0544 165.9347 189.9795 189.4844 454435.7548 415216.6778 411913.5400 441832.6312 450635.0698 440135.0901 439576.0986 436603.3329 420239.2334 400121.2989 426866.0941 428799.3476 447491.5011 413040.5960 430674.4030 418650.1393 404957.5654 428707.9506 409535.3226 443111.8186 424280.4726 367249.0633 403807.5791 458053.8197 412803.7044 437077.4628 419316.7536 453588.7473 473426.5450 421008.6297 418810.4462 414816.6916 408149.4571 422081.8677 380638.1005 449574.6439 420870.8912 461693.2779 427000.6258 446627.7477 439977.3452 422796.7917 436008.4653 500495.3160 427373.7304 487405.3686 424593.4026 441729.7750 448145.1408 426747.7764 452761.3943 506824.1718 446391.8452 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z_d7)/0:0)_and_PE(0:0/18:1(9z_d7))_[iSTD] 48431.7959 48138.5626 46688.2173 48982.1625 48425.8437 47739.7975 47027.7184 44617.5471 47542.9343 46898.4495 114.9620 128.5184 128.8948 121.3721 118.8765 127.1099 48914.8105 48712.8340 47654.5357 48983.1891 47164.8600 48846.0483 48257.7280 50264.4125 47423.9692 46230.2963 47795.0686 48538.4227 49250.7415 48850.3561 46425.7435 48037.3786 47885.4556 49009.3075 49783.0204 48903.3885 48183.6126 45469.3840 46582.6507 48238.3146 49966.4021 47087.9498 47684.2261 46311.3556 48589.1299 47327.6145 47720.5699 46671.1959 50032.4439 45230.5615 49790.6587 50246.2117 49478.1098 51445.1460 47456.6632 46953.4985 47262.8915 46473.4537 44417.6217 55971.2873 47562.6850 49299.1928 49194.4028 47372.1426 49659.4936 50743.6754 49055.4965 48334.3168 48902.4362 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z_d7))_[iSTD] 34966.4537 36876.5201 35935.8302 41174.7730 40407.7353 39726.7832 40992.8855 32714.0813 38075.1320 36808.6752 1237.8623 1167.6332 183.8595 617.0366 660.8565 819.0555 37722.8195 36401.7728 38249.5111 37484.8535 37236.2548 38178.4247 38592.2793 36976.2781 36693.0425 35670.4362 39360.8201 40730.2126 40291.7278 35417.9921 37641.9649 35338.6501 33700.1901 36969.0040 40185.3895 35801.9250 37758.0912 37896.4572 35470.6447 33979.3241 38219.5029 36121.5408 37391.2259 37785.0981 39186.8740 38599.8729 35083.9078 35677.9774 34764.8502 38139.2326 36086.9307 38777.6239 38204.5134 39426.9232 37381.7460 36616.3445 35178.1994 38904.8058 38071.4816 45927.0108 35811.8319 39622.4855 39293.0806 36536.6870 39420.2033 40285.9250 36258.8148 38155.3629 37121.1279 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z_d7))_[iSTD] 175100.4986 178319.3232 176494.1336 184666.7861 181563.1643 187082.6035 188826.1302 164322.3115 178997.7894 191252.0313 196.3075 195.5471 181.5398 146.9698 150.1297 154.6532 185416.3144 187081.7519 185319.5796 189493.6388 180874.8638 182140.5777 191977.9462 189958.2861 181107.7656 178891.4119 180478.3041 183528.6654 189972.8417 182982.8812 178648.3198 183020.2377 185528.9344 180986.5680 192463.0596 174010.7443 175874.6092 177054.8457 180020.1168 189924.1299 190642.6877 177903.7209 185669.7579 180830.6300 189281.0679 173794.8573 185740.3233 183744.7826 189286.6838 184081.8331 186217.9991 192803.3127 172179.8548 200089.7689 179123.7479 175035.9097 173223.2042 177347.2170 177289.8377 204634.3108 185806.2464 190298.7688 197172.4902 174436.2261 187623.2136 198580.1276 188729.3898 191917.2295 190454.0306 GTInternalStandard_PI(33:1(d7))>PI(15:0/18:1(9z_d7))_[iSTD] 18495.7586 16896.3074 19056.8334 17280.3693 17065.3615 30191.3715 17310.6669 13524.9057 10622.7348 33208.4404 109.6104 119.1214 119.9179 143.7332 147.6319 158.1626 21941.1390 21665.8465 21909.1982 25949.8660 17121.2910 19283.6593 18883.7165 21629.5141 26953.0812 11376.6338 29170.6351 11962.7049 22857.3081 16457.7982 10011.8893 25709.6114 13198.8581 24028.2365 20628.5731 12578.3437 9542.4987 11385.1952 23960.7475 15932.5386 22566.3494 21653.4977 30268.6379 13750.6259 34217.8095 23819.4058 28418.9710 28680.9647 40826.6686 20919.0590 17913.6228 43550.3814 30876.1916 26656.9810 29430.5053 13835.2863 24605.3222 21097.3433 24165.0289 31359.3699 13257.6664 28147.3017 17617.8494 12888.3086 20256.1025 25073.9533 26026.7202 16670.2906 13550.2060 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z_d9))_[iSTD] M + H2CO2 78845.2294 78972.1726 80447.1628 81118.7252 79033.7955 81585.5892 87482.9850 76004.6292 73172.9808 85546.2853 161.3087 149.6359 151.8590 133.1170 136.1378 140.4026 80299.9376 81814.9009 80316.2877 81250.4662 77434.1569 76451.7469 82366.1962 85858.0487 77327.9862 80746.4587 80117.9888 81567.2243 84744.1127 83664.3549 79547.1047 77083.3397 77288.1077 83212.3412 81365.4303 77019.4711 74864.0125 68753.1187 74994.3957 78420.2330 74077.1260 79224.9970 80256.4273 79375.3181 83344.9031 77090.2389 75515.5095 77782.4172 74191.9676 77228.5082 76300.8898 86707.9055 75140.1414 85486.3181 73601.2513 81262.9460 75232.2593 76794.7471 78373.6929 91299.4021 80765.9933 85817.7627 78841.8255 82342.1462 84787.3940 83595.6638 84588.3477 85638.8054 88098.1222 HexCer(d40:1)_M+H2CO2_feature2 HexCer 40:1;O2 24207.1991 25883.2565 23578.1235 23616.0324 27140.6605 18072.1878 18204.2306 25432.8938 28386.2362 17590.2427 138.7890 133.8589 158.4196 108.4767 140.7321 126.9013 19494.2418 29305.5153 22245.0472 25615.6457 26690.7232 24835.6063 23822.3187 25797.6290 21996.0088 17552.7896 20280.7319 24962.1871 18657.7267 25204.9240 25073.9833 27325.7506 25123.8228 25134.6055 23860.9832 18591.4700 19111.5992 24266.1806 22692.1663 31858.7342 35294.3481 28222.8114 25831.5339 25628.2899 20873.6452 18748.9212 23650.8396 28738.2422 25524.4394 22897.2612 29731.4771 25564.6294 32969.3186 27816.9220 17558.2674 19470.6279 21407.0566 18494.6454 22512.7245 25923.4061 35645.6412 18853.1525 38924.9182 29398.6231 16364.8540 24814.0295 28141.1751 23233.3357 21603.2785 HexCer(d42:0-OH)_M+H2CO2_feature1 HexCer 42:0;O3 26012.1783 30699.5802 31480.1564 33111.1206 23147.2835 21777.4475 28731.3254 31837.6637 43998.5245 21395.5109 147.3982 186.7352 171.7364 106.7090 115.2358 131.1417 27061.7388 35742.9012 21766.5650 22330.2027 30738.1307 28636.1895 26324.4175 26664.6527 29843.7873 24766.7026 26539.5709 39801.0439 29997.3435 37419.7097 29429.4860 31946.2633 33499.1058 36163.4339 46140.5782 35751.4696 36872.5224 45918.9480 34682.7393 31975.9859 39265.9409 33609.5939 31021.8061 25465.5033 18254.4132 31346.4650 32225.3762 33558.5374 58459.3729 31848.0499 45800.1367 29228.9132 35703.0065 30386.3489 32514.1120 24940.1044 21828.2188 27138.6283 32926.7038 24841.2511 36624.3538 20764.1767 39597.4057 36067.4432 19062.1017 18686.6994 28538.2370 23670.9964 31883.1606 HexCer(d42:2)_M+H2CO2_feature3 HexCer 42:2;O2 74417.9506 86348.3619 73533.6992 80856.7338 67657.7183 46355.9184 82202.8662 63739.0881 82976.7314 48093.0078 159.4052 164.1186 209.5563 103.9520 138.8820 127.2780 87386.9650 81860.8386 57040.4401 91843.3331 53365.8622 82309.5799 79083.4272 81089.7903 76339.0805 112335.2745 77230.5583 99196.2679 68088.5910 104481.2557 87936.1784 64132.7866 112666.2222 67070.4992 82167.9527 68039.7696 83014.5316 78619.6047 63218.3827 101900.6374 86976.0290 115326.3352 85034.0216 92871.5440 56097.2336 84023.4603 82747.4477 88516.7113 80348.5023 59745.6660 115043.8855 75102.7650 85541.6154 83610.0484 75340.1968 39168.6989 44680.7911 54325.0301 66866.5059 68172.4457 78364.1537 56488.3362 79397.0454 94573.3354 44274.2128 52920.0973 54446.9949 57671.7096 64077.9255 LPC(16:0)>LPC(16:0/0:0)_and_LPC(0:0/16:0)_2M+H2CO2_feature1and2 LPC 16:0 887369.7887 922200.1813 930345.3839 1094800.2220 889897.8217 924428.6790 1019591.8470 1128207.2270 1359069.6790 772920.9734 1511.5967 388.1508 489.5587 2143.1862 833.2825 1003.0910 1044448.2670 979817.5465 1021639.6990 974214.5262 1028218.2040 1008315.7290 1009987.0010 1034721.8010 996943.8840 888329.3164 815740.6262 975756.5388 953855.7523 901620.1399 743530.2274 812169.2253 917930.5007 828197.9282 1234348.6060 942162.7488 1104985.5010 1384198.0160 1160122.0150 1008933.7150 1151054.3210 912149.3796 926940.1173 665711.4420 794741.4508 1056504.9370 1067168.1530 1144390.9440 1333243.2890 981834.6164 1335253.6850 904337.0416 1048991.4320 807246.2524 1261584.3240 1080953.5460 893574.7417 1089102.6390 957195.5813 913688.5002 953452.6543 727546.5119 1171962.7370 1076185.8660 917879.7074 1109271.1180 1156772.2490 1023419.9730 1245568.4550 LPC(18:0)>LPC(0:0/18:0)_M+H2CO2_feature1 LPC 0:0/18:0 112442.0077 112476.8541 103981.8058 94429.0807 116302.8251 84911.8000 100703.2025 107632.7758 111792.2743 69481.6945 1531.3149 489.0793 528.0825 1583.3911 427.6141 397.6847 118611.1557 105024.1597 99489.2766 101562.4136 115390.8591 97625.6728 110362.4665 108305.7900 110258.1814 90987.6388 56053.5148 28324.7673 69934.0540 149214.5171 78834.6128 102635.5777 2014149.0560 131253.1394 208895.3820 94905.6725 1623955.7760 177508.4774 97413.0939 187202.8201 125004.0826 106581.2228 169583.8955 106886.7090 100797.8393 143373.2891 113899.6152 108069.6887 116138.8093 109730.3023 254157.2419 85709.2276 135656.0434 99274.3278 98351.8581 102662.6519 87984.7974 102896.4616 92937.7558 88384.5799 190369.3281 84620.1563 122236.9279 136838.2888 80771.3124 107979.0943 106294.6681 27576.5876 46777.6173 LPC(18:0)>LPC(18:0/0:0)_M+H2CO2_feature2 LPC 18:0/0:0 1601238.6540 1722518.0620 1426983.5000 1783660.9650 1631579.4000 1259607.4410 1478173.5660 1611929.4320 1948275.2380 1166590.3140 1706.6232 376.9664 704.1718 2085.0268 756.6686 917.7762 1658276.0980 1644135.2240 1645634.0920 1586426.3200 1671720.7760 1678210.7580 1603447.3460 1658716.4250 1646635.8570 1335414.9150 1236236.2100 1403720.4650 1320488.1290 1556219.7880 1200165.4150 1458658.4190 1960278.2240 1455163.0080 1984594.1160 1601094.7250 1690874.3900 2166751.0820 1619838.2060 2057692.0940 2105515.3770 1651851.4640 2203191.1920 1378218.7170 1242357.7070 1664764.5480 1592465.8300 1704081.7900 1915983.7150 1658558.8730 2214340.5480 1648843.6410 1937044.6780 1504353.0030 1775034.2690 1493696.8400 1340202.0590 1711778.4930 1422814.5220 1484703.5440 2245935.1440 1158217.4860 1916636.4770 1781732.1310 1349747.0390 1456396.5790 1630323.3730 1368428.8430 1718308.1200 LPC(18:1)>LPC(18:1/0:0)_feature2 LPC 18:1/0:0 84219.7678 84833.7556 98707.8511 118905.2235 84900.9208 81949.3856 89633.2993 96896.1267 118562.8469 72537.4538 178.1980 170.7704 171.1619 154.7193 156.6156 161.8437 95876.8700 91648.3330 95764.7727 95085.2306 91917.8863 94186.7544 94870.2875 96339.9102 92781.7563 75398.8509 76662.0432 81297.4195 83044.2973 81452.1395 73505.7130 77008.1963 85873.6629 78102.0318 110907.4854 82892.4359 101581.9830 111843.0725 99171.5411 100157.3609 112929.1067 81504.3457 88688.3157 64545.6397 64343.1416 90897.2573 94851.0168 109956.2572 117761.1637 96671.5791 138149.8179 88487.4244 105860.1602 86825.0078 103062.5237 97794.7898 72962.1295 97282.5542 84633.0798 100047.7574 97513.8282 85269.1028 128901.9428 114922.0372 85847.5797 120974.4782 119788.0596 108173.7352 135888.1587 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_M+H2CO2_feature1and2 LPC 20:4 104051.0910 104684.4449 106667.3475 135991.8027 122341.3364 145714.3609 139411.9805 140969.8428 177005.7259 107307.8813 236.5860 274.1432 279.0829 238.0776 276.3110 262.7828 130172.4488 121097.8014 123695.1976 125149.8391 129136.6206 123576.2582 127563.2509 121559.1715 127900.8370 126923.2879 126646.3818 144450.0123 147163.3327 84202.6550 88458.7355 80716.1970 114827.8716 92453.2316 166432.6650 121837.9025 147468.4819 170935.3936 148899.4876 112523.5186 138234.9535 99053.0120 118140.8945 74012.8832 97506.1670 152720.8454 137647.1208 155077.2303 177960.1197 111045.1270 161180.4656 94528.7453 117123.9127 89610.1961 149912.5093 123889.4830 111845.9920 144551.5917 123716.2326 110507.9430 105726.8805 69413.2578 120876.4703 115730.4502 95159.1297 129146.9992 131966.3168 96070.0165 149513.6851 LPE(16:0) LPE 16:0 77314.1895 84814.2992 81518.5160 93396.3292 74128.4157 75605.9907 67868.0038 77768.6528 93734.6649 60176.7390 150.9557 145.2903 144.7381 130.2066 131.8484 146.5936 81181.7656 78308.3041 81906.8587 80383.7518 77907.3336 79921.3106 81533.8608 81285.0309 79012.1606 62985.2557 59707.7829 76881.8517 73446.3510 82623.2555 74751.2791 72159.3509 90064.5552 73670.7092 91223.1780 77857.2556 78980.5871 100132.3219 86841.0380 88924.5712 106623.4150 82550.7431 77906.1477 58687.8058 55705.0316 83913.8945 78913.7241 80566.4686 90002.8694 88443.2600 116635.0441 73300.5674 90043.5258 71825.8018 92404.5651 74769.6722 62632.3599 82179.1583 76462.2369 86350.7816 87226.7212 60110.6907 93926.7593 97161.0323 60834.2113 70967.1715 74298.4614 63290.9975 91917.7900 LPE(18:0/0:0)_feature2 LPE 18:0/0:0 120951.1246 137540.4141 120624.7013 150131.5268 124426.8257 113005.6877 122836.8886 125893.2019 152986.9852 93468.4151 114.6059 140.2342 141.8628 88.7108 106.7616 115.6490 137140.8103 134223.3040 133211.1815 127154.8339 129590.0542 121390.8755 136659.2039 140257.7641 132705.1491 113307.9723 110053.3047 123452.1524 131742.7037 133384.3790 120484.0167 123878.7044 151238.8500 123259.2917 152824.0330 133160.9084 121556.1559 150425.0473 135325.6416 145892.9056 175864.4211 136685.7291 138784.9722 100858.6083 95215.6085 117940.8257 116749.3779 128161.1675 147585.3551 143883.3198 191661.1106 127388.5211 143297.8554 124407.8127 140829.9691 127493.4945 97335.1475 138413.2585 121437.1942 129161.8479 160647.0818 94289.5901 143389.4055 156351.6661 109943.3294 124837.8671 136614.1220 112809.4989 152043.3583 LPE(20:0)>LPE(20:0/0:0)_feature2 LPE 20:0/0:0 62246.3517 70795.3044 55775.1136 65631.7647 57417.7562 47515.4013 63884.6174 74159.7717 73636.7557 43836.1138 120.5751 238.0540 214.2411 95.8790 149.6492 226.6284 67162.8500 66112.4690 64599.2272 59753.0543 69106.5903 66255.8061 64235.8438 66346.8550 65315.8759 53915.7887 42703.8843 56671.2924 49470.6805 64763.9135 47848.2870 61243.7715 77392.7482 64424.9181 69609.5537 66229.3723 66092.7677 76707.6108 64673.5669 78212.9657 79448.3858 65656.4433 81685.8890 60928.7121 45251.1268 64461.1867 68448.3584 66002.9818 79493.8073 62010.4872 93789.0365 60299.7586 70328.9183 57473.9925 66992.0940 54899.7487 49967.6530 68195.0048 52384.9573 54866.3406 82578.2516 41791.3839 71715.2863 70841.5115 50241.8290 54186.9592 64392.1670 46330.2163 62153.1638 LPE(20:4) LPE 20:4 28453.3577 29138.3968 48762.9911 50161.3260 31220.3033 58069.7532 39582.4025 41340.2506 38412.6546 26567.5660 175.9659 203.9859 212.8312 177.9252 206.4968 203.4629 35333.2703 35797.7126 36012.3683 35754.9233 33353.9663 31732.1890 35301.5440 35512.0659 37503.8144 36136.6411 36899.0566 38753.1316 40682.8993 29323.8849 42369.2438 26262.3164 29306.6920 26890.9227 45401.5838 36786.3990 36065.3230 40287.2128 35705.0704 38169.5592 50728.3714 25905.7929 27511.5054 20833.2760 20670.9149 30211.4431 31980.7529 38003.9680 48406.6679 22782.9464 65476.6603 27729.8771 28272.7158 31005.0685 37251.1540 30204.4409 29876.0312 32993.5887 27124.9956 42885.3314 27618.7850 18311.2320 33743.4079 31500.4383 26700.4619 41932.4822 37277.4807 24494.4368 44294.9682 LPE(O-15:0)_feature1 LPE O-15:0 26890.8769 26228.0184 25393.5974 28302.6202 26198.7916 26904.2713 24863.4019 24525.9149 25669.8603 25392.7839 110.5215 123.4785 122.1078 111.8638 109.4974 117.0106 27226.2042 26333.3956 25190.3289 26876.5214 25858.5863 26219.7760 26097.3185 27527.8128 26012.0541 26383.1809 27899.7398 26137.0930 27162.3347 27326.0721 24747.1902 26152.8199 25415.1496 27539.8037 26827.8088 27695.9023 26050.9649 25121.7555 26337.4851 25222.5111 27915.9356 26463.8090 26613.3563 25642.5598 26530.8167 25870.8148 25980.5663 25604.9728 26969.8563 23714.4955 27286.7825 27124.2474 27745.6781 28715.0284 24449.9071 25058.6791 26114.7222 25767.3264 24979.0252 30216.9994 25915.9218 26503.2980 26552.6036 27575.6336 26175.6859 27134.8827 26465.9949 26657.8724 26971.4593 PC(30:0)>PC(14:0_16:0)_M+H2CO2_feature1 PC 14:0_16:0 155699.4774 189332.1811 201865.5185 163580.4079 186007.4407 142217.3512 162936.1585 179067.3660 206512.8501 161891.9789 209.7151 217.0275 207.9391 189.1659 196.1177 191.2373 169493.1993 161564.0205 174438.8521 169817.8334 165345.8596 172073.3092 172755.0135 174063.2510 158645.4248 144975.5332 143391.2409 159631.1576 173439.8760 194016.4308 126141.7449 170788.9572 164950.9873 149757.2795 208483.1154 154022.3645 169148.6017 207225.8220 181400.1099 186622.3415 204619.1855 171506.6439 208121.0769 125581.0581 137445.5960 186995.0700 158103.3038 174220.4237 210978.9460 167831.9504 209470.2377 154862.5601 174996.7021 132755.3735 161694.5529 159367.7841 148754.9055 185723.0505 177269.5893 177264.6751 145860.2898 125046.7705 170688.6928 165282.2338 139604.6009 151566.3125 140362.1617 123268.8064 188429.9779 PC(32:0)>PC(16:0_16:0)_M+H2CO2_feature2 PC 16:0/16:0 3338630.9120 4103633.5650 3529767.4620 3339133.8330 3689126.9810 3637529.4990 4252408.1600 3971300.5740 4430634.9000 3730602.2330 637.6593 292.3166 632.7974 1328.1450 238.8493 399.2954 3891421.3120 3894682.7280 3832086.4000 3759508.6520 3762283.2140 3903211.1780 3928602.4870 3945119.2110 3752150.8960 3570406.8070 3622226.4900 3986071.2370 4025605.3510 3785588.1560 3170891.8480 3753508.4050 3927653.5260 3181742.2020 5275767.4570 4296560.7450 4278747.1150 5142098.2910 4235318.5760 3719470.7640 4502524.2630 3865002.3850 4197650.2400 3028851.7760 3608296.8280 4339746.1320 3994704.8090 3732459.9830 5116405.9050 3721849.3270 4519447.1070 3339490.8960 3848750.8680 3063713.1410 4150735.1490 3556397.8700 3867324.2810 4390941.7220 4353197.8730 3595386.0880 3457003.1170 2694992.9910 3597126.0460 3703710.7450 3528949.3260 3474349.8310 3579044.1630 2889630.1170 3803952.5930 PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1)_M+H2CO2_feature2 PC 32:1 389343.7776 490760.5063 497738.9237 430145.2689 440874.4038 264558.8227 204532.4503 300596.3223 376746.8406 278617.4628 212.6786 212.3706 197.6360 183.8475 188.1324 194.1425 360018.9151 377743.2833 360499.8674 364445.4234 344132.6531 354578.1764 362807.4080 394606.4332 349399.6651 264187.6676 172519.7791 179155.5820 258296.5738 381930.3299 297705.2303 419086.5660 347315.3808 317206.3347 396871.5530 283394.3101 238385.8750 243069.3299 302347.5281 355248.3938 518848.3036 411455.9872 421771.2649 297380.5497 235186.7289 323687.1245 269415.5870 258734.5923 362547.0316 334177.5351 411422.2119 257632.4753 362254.5219 315505.9652 312547.1596 203351.4940 257443.8411 261867.9041 275312.6448 445921.1713 373585.6698 239485.7463 255636.4410 218743.1651 157801.1326 296072.7482 173452.0502 260292.2175 270411.5378 PC(32:2)>PC(14:0_18:2)_M+H2CO2_feature1 PC 14:0_18:2 40008.1576 38946.4686 48520.3756 39022.5321 16145.6657 27518.9803 13744.3726 15377.4498 27881.0821 21503.2698 284.2732 284.5795 280.2527 167.7420 166.9351 165.0592 25158.9787 23056.2476 40224.9631 30006.3586 32837.6791 34360.1566 30366.9712 31196.4522 24228.8497 19388.7937 21043.0718 22675.6943 26210.9640 31160.5207 16148.3339 19316.2349 21993.4805 32063.7949 23858.9240 33106.0387 28834.7933 39118.6178 18698.0496 43085.3643 43019.6820 31596.2789 42397.3803 14183.0676 15098.8843 21154.6658 28564.8450 33899.6764 34040.7632 24666.9390 49222.9924 17717.4986 34995.7977 20365.0243 17336.9481 31376.7903 27226.9589 31179.1924 27984.1721 38821.1734 37094.1004 24776.0500 30057.2591 44381.4879 25335.3915 22640.2663 28965.0664 24811.8465 37626.2718 PC(34:0)>PC(16:0_18:0) M+ H2CO2 PC 16:0_18:0 553415.9060 656755.9665 615779.4996 584359.4689 619370.7126 550336.0406 677730.7594 738513.9144 888875.8482 576953.0026 261.5648 251.9436 248.6108 217.9300 211.3152 215.7450 646363.9738 657044.4444 676669.4717 652374.3104 687762.6375 657871.9386 650287.8554 663703.4349 654546.5616 619620.3676 630217.5669 642274.1432 641536.4561 612739.0058 516362.3602 621815.0596 682736.3457 552697.7260 878541.2124 708434.2920 726939.5714 874773.6215 725604.0423 645855.5132 796720.8905 709235.4802 762690.0095 525503.5789 590042.1418 704677.6050 756690.2528 722113.4363 895072.0903 686706.6204 863947.2440 590250.1612 719888.5121 541050.2672 769519.6124 652425.8164 679972.8018 762729.0886 727763.1195 562358.1866 647758.7735 440776.0826 677423.1773 656631.8829 562071.2793 618343.6629 674441.1200 563854.8656 666982.9502 PC(34:1)>PC(16:0_18:1)_M+H2CO2_feature2 PC 16:0_18:1 6194361.3060 6987106.4230 6417029.8630 7025169.6810 6144076.8670 4596316.9270 5729740.2330 6111166.9710 6081076.1520 5075881.3380 869.6654 381.2277 409.0779 619.5090 399.7249 365.3317 6255167.6290 6041334.1870 6204064.5440 6415811.6940 6156073.1150 6457036.0520 6155469.1050 6108574.7890 6204014.1420 4717965.5520 4843884.2960 4730960.8050 4395649.2490 6057446.9500 6032923.5350 6697795.5650 6790868.4770 6331621.7380 6683089.5040 5412131.2530 6209733.9250 6672310.0360 6111917.8920 7084320.4750 7479504.4260 7167343.9350 7173510.4310 5451001.9250 4813955.0080 5372813.5310 5549201.0260 5968355.9230 6715013 6945345.9990 7606218.0370 6585814.8470 6696153.7350 5928695.1700 5512143.6620 5355344.9320 5523033.5010 5667044.7750 5455626.8080 6462268.8450 6732987.0750 5274244.0180 7400138.4950 7348652.2740 5474803.1810 5722754.3320 6249140.9640 5390456.0290 5492757.4610 PC(34:2)>PC(16:0_18:2)_M+H2CO2_feature1 PC 16:0_18:2 3879987.1690 4357074.2380 3856061.4300 4396007.0120 4026374.4810 3377751.9330 3927803.8160 4307855.5870 4189891.3690 3441256.8440 221.8326 218.8052 217.2520 211.3610 196.3054 439.2826 4177470.3870 4038202.2640 4157060.9460 4185916.9120 4152863.9440 3988543.4700 4233951.9530 4328175.7950 3947872.9210 3762319.8230 3894161.9570 3556341.4420 3570750.4280 3851537.8010 3579910.1680 3990773.8950 4025666.0090 3677606.6630 4384337.5010 4168291.9440 4164802.9090 5073807.7310 4021333.8400 4114321.3790 4972337.9330 4376399.3500 4002722.7790 3209615.4420 3365660.4170 3591898.1900 3940787.1940 4178885.0320 4832141.9230 4139269.9140 4801450.6540 4264445.5830 4630508.3940 3721265.4260 4686688.8610 5131634.6240 4400758.2340 4473056.8650 4240926.8730 4488895.1510 4029991.8470 3502597.9220 4855195.6940 4680430.4170 4092983.4780 4563663.0840 4441788.0560 4075376.1860 4996275.0050 PC(34:3)>PC(16:1_18:2)_M+H2CO2_feature1 PC 16:1_18:2 78327.1010 50265.8276 81404.5470 42931.6988 46962.9407 34049.1339 50064.5569 60072.6873 34580.9466 38174.9143 242.9685 252.4955 247.2865 133.8452 148.7196 132.6677 34375.1915 58689.6519 61549.8761 56102.3262 43100.5460 49232.7543 52614.3570 48531.7295 51485.8479 81539.5629 39976.7436 63358.2864 32100.1804 64952.3605 52239.8229 46125.8383 65778.4996 61009.7257 63128.5909 41642.0439 44892.3478 57607.1262 46143.1246 71433.5111 105070.4946 80254.1843 59174.4390 39859.1800 34884.6072 19713.3640 42776.5977 41471.5177 51355.2238 47016.7364 70207.0689 54810.3185 40516.1958 53509.5100 48911.9057 23851.6344 38311.3718 43222.8012 44536.8611 66977.5128 84637.7502 41684.3216 55981.1185 56194.6409 37103.5955 51547.9066 59493.3498 54714.6482 62811.8992 PC(34:4)>PC(14:0_20:4)_M+H2CO2_feature2 PC 14:0_20:4 25191.7605 28734.4912 30750.1128 32928.3069 28028.1829 24979.6533 28440.4713 35550.5642 41197.3018 28124.7764 176.4097 173.3539 189.1559 143.3386 157.5176 142.1823 31711.2775 28268.3977 29608.6854 31236.5764 29606.5644 30695.3800 28984.2420 30446.6596 30499.0579 31194.3263 32276.2853 34498.0410 34857.4200 28126.7680 17052.8595 29442.9136 27688.7631 24575.9378 41284.7227 28326.5748 32160.2592 45061.1032 33942.4275 30604.1538 38357.4812 26406.1560 33262.9404 20447.9571 23498.2135 29755.3263 30198.4672 37498.2456 43750.3105 30144.0485 39904.4866 27037.2526 31173.9974 24244.7959 31864.8751 33917.5093 25387.4290 35717.0973 31136.5548 26827.4909 27115.9932 21362.4926 31634.7703 29990.8482 23310.5483 33102.3041 30811.3622 25042.5771 35675.0498 PC(35:1)>PC(17:0_18:1) M+ H2CO2_feature1 PC 17:0_18:1 96937.3303 106639.2203 95420.3266 114343.7660 88627.7100 64707.4926 79750.0499 94855.4296 97718.5268 75565.8676 292.9199 336.5511 323.1242 254.0796 268.4915 273.4694 104709.8082 92808.2540 99515.3217 103555.0280 105202.7442 101913.7139 95297.5798 102639.9826 99750.5917 87225.5433 84076.1373 77558.9344 76810.4938 102739.6807 89818.1137 113025.7578 123674.4329 111654.6983 103876.3839 80179.2885 96514.6099 115136.0396 83555.2526 115107.9008 134277.1182 115815.4122 119637.8707 94675.5384 73819.9200 77727.6920 90432.6537 107523.8303 99502.2137 114943.5342 137160.8106 109993.6881 114995.6063 95786.6829 95668.1511 95325.6169 86784.9740 86562.0270 78585.8851 101502.2068 112595.8791 85845.4151 132102.8172 126714.3860 95043.1067 106507.2514 112942.1825 89773.5067 104799.2723 PC(35:2)>PC(17:0_18:2)_M+H2CO2_feature2 PC 17:0_18:2 54348.5550 57826.7404 46025.6495 59832.9570 53495.0321 44680.3619 53197.0801 61288.5764 63493.6756 43521.6402 213.9455 238.9034 224.4128 208.4835 199.6454 204.1675 58746.6886 61612.7691 61727.0885 64358.1429 62606.0665 60836.7420 62068.5619 61016.2600 59776.7864 63469.4697 70083.3582 56360.2321 62122.1000 48907.4543 45403.2322 52824.4774 63323.7092 51195.2216 75763.6232 61454.9031 58879.0992 75949.6220 52055.4992 49531.3908 73244.8827 61015.9106 57767.2433 45828.0021 48541.0077 45831.3965 60403.6121 63171.5452 76796.6320 58171.3021 66778.0057 62554.7715 68884.6997 50379.0017 75989.2391 92032.5811 64741.0286 63309.1260 62267.5714 56685.0673 55432.4484 50608.7762 76611.9512 73997.4111 66270.9049 84517.5663 67778.0818 66209.6989 86441.5865 PC(35:4)>PC(15:0_20:4)_M+H2CO2_feature2 PC 15:0_20:4 58388.2379 56683.3353 52583.3482 56233.2648 53700.6127 56512.3455 71325.9922 86046.0136 83994.5011 60053.8796 188.6382 193.7327 197.8796 151.1161 156.1236 159.0159 64183.0596 62917.5926 67526.7304 66154.9245 65993.4814 66138.0300 63237.8415 65476.4347 64576.8994 77680.8348 76564.5782 86656.2026 87849.0580 53998.3688 41575.7796 60887.3468 68847.7317 51193.6240 89224.7754 70521.1606 67662.7940 91983.3327 70770.6418 54300.0848 80724.3791 61079.1228 61744.5128 44120.7113 49784.6940 66818.6153 71839.5236 80295.6813 90837.0265 58224.2924 81415.9895 55612.5425 62909.4630 47748.1260 67851.8748 69962.9234 65077.5100 72906.8382 69896.1235 55462.7363 50637.8127 42585.8493 67050.3443 68913.9289 57305.9685 72188.5678 64861.9060 51899.6720 79396.4993 PC(36:0)>PC(18:0/18:0)_M+H2CO2_feature3 PC 18:0/18:0 39561.2849 46364.9793 43764.9552 41092.9273 44687.7442 32585.6439 42977.7697 45118.5833 57794.3550 35983.8662 171.5778 200.2963 211.7078 165.1515 232.0272 209.8558 44317.1011 44467.2427 47657.1620 47831.1969 43849.7175 44912.1084 43134.5043 45620.7290 46969.0400 39039.0959 40259.9676 42699.9945 44141.3551 40886.4901 33499.3224 38097.4057 48020.6024 37865.2217 51948.0930 48151.4751 48191.5036 54895.4978 43913.9323 44531.0732 53418.9515 40615.2742 55321.3333 39841.5460 39745.5220 43787.4843 48597.5572 49762.2321 51661.0557 48049.0918 59863.3132 42714.8205 48147.9858 43158.1809 53313.7106 39483.2896 43414.5724 47188.1844 46977.5703 32936.2108 48356.7481 33640.0776 47292.3110 45352.1211 39119.6320 42479.2783 43786.5465 41369.0929 44899.1644 PC(36:1)>PC(16:0_20:1)_and_PC(18:0_18:1)_M+H2CO2_feature1 PC 36:1 1652638.0160 1882765.1880 1805855.0060 1965291.0310 1702374.2940 1186646.3200 1492884.8990 1667466.0820 1683572.1900 1380387.7740 274.6501 275.9645 269.2739 247.9728 247.1839 253.5362 1718000.2920 1695757.4610 1806655.6200 1679302.2710 1722760.1660 1658979.8050 1744946.5150 1799734.4960 1674732.9760 1301861.2170 1373644.1660 1214762.9240 1239210.8170 1726196.3520 1575774.8770 1846588.4200 1892547.1910 1714086.7350 1845943.6630 1486474.2430 1703763.2170 1938896.5210 1577640.1100 1871604.6090 2138821.5040 1984777.9860 2055263.1010 1582386.3800 1409381.7070 1413537.3040 1572190.4580 1658144.5890 1969483.7220 1939139.1050 2265102.5580 1911152.1170 2027203.4160 1737096.3370 1669913.4630 1595478.9610 1557014.2010 1598139.8040 1491227.1380 1824187 2025064.1620 1504939.5590 2276607.7600 2110785.0730 1555471.5520 1785982.5750 1820637.3580 1664738.4320 1598020.0820 PC(36:2)>PC(18:0_18:2)_M+H2CO2_feature3 PC 18:0_18:2 2379606.5550 2463285.6430 2191085.4110 2781345.7620 2512005.4260 2179432.9900 2547533.8390 2762951.6840 2876743.9520 2197394.6870 566.2720 239.3229 235.7082 271.9971 220.2729 211.0422 2704511.2490 2760845.8430 2719506.3550 2756802.5900 2876872.4160 2800615.4550 2651728.8310 2676484.0270 2802613.9290 2781800.4320 2549892.0830 2638031.4430 2474431.4650 2316372.2620 2042752.7380 2210290.2110 2346486.2080 2080810.6810 3188951.4450 3235263.2790 2701291.5700 3363265.8780 2494020.0800 2261277.3950 2988421.4430 2419965.9850 2397580.7230 2012169.2860 2095453.0720 2323388.0150 2911917.8880 2949485.2920 3297924.8170 2650866.7120 3187737.2400 2690559.0240 2865099.6030 2467842.2640 3154050.5440 3427492.0990 2765959.9700 3044118.4640 2979275.2740 2660323.3480 2421853.2910 2318855.4540 3377941.6890 3032282.3240 2800547.3120 3314441.4880 3096780.0910 2835494.1410 3789700.2650 PC(36:2)>PC(18:1/18:1)_M+H2CO2_feature2 PC 18:1/18:1 398709.6271 507956.5623 392272.8810 371224.5312 287492.5336 230483.4096 254408.0968 290052.3992 281919.0654 270535.2882 260.4283 314.9832 371.6311 236.2647 396.9432 329.3185 383710.0945 290580.6277 362044.8286 356824.9483 281904.9780 300568.5902 366705.8114 367006.5910 336652.7244 206320.9493 256225.2720 178296.0350 200975.5646 302585.8145 322978.3908 460320.7806 425544.3905 353119.9452 381102.4132 249324.9553 301192.3986 299397.3631 329034.8594 440371.1914 429531.4509 459086.8455 416031.1132 358728.7427 306099.1472 278539.3269 278781.8401 398788.9143 381047.3113 320260.5880 503087.0615 407827.6083 433214.8974 289701.3967 329563.1973 328167.0408 301823.9585 302299.7658 289764.4536 446017.2717 447313.7140 309598.1331 524977.0907 393304.5668 299818.9224 291396.2233 363605.1317 372883.5559 242389.6683 PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature2 PC 18:1_18:2 904427.4207 1012772.7390 876861.8222 925576.5438 846411.0545 565021.4076 845766.7739 822127.5584 843163.5354 643899.2437 242.0145 224.8499 222.6517 206.8230 207.7251 206.8509 846579.5840 827626.7998 855779.7416 858309.3430 829409.0104 860976.3027 842490.7603 875278.9885 813376.8255 721483.0232 745162.3368 609243.7219 627382.9336 810678.5806 840286.2035 890568.1958 876990.9338 882349.7452 842423.2854 806673.9719 838098.4629 943876.7089 770785.9004 925855.2158 1027236.5470 1047672.9010 916152.2067 765706.9380 681207.7357 673028.1670 812080.8428 895233.1483 888938.8084 942861.8321 1077419.0580 956715.3851 1016995.9660 843197.0793 891834.4004 933574.5454 847467.3003 837566.9133 722993.7370 946999.8092 980863.4817 736391.2335 1041337.4400 1046024.5200 861309.3785 907512.0140 933248.1370 832408.9090 872668.8435 PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature3 PC 18:1_18:2 237775.3740 220146.0293 219260.3732 368753.8169 211481.1495 174020.4226 182707.8944 241271.0412 202381.6089 203968.2465 214.4057 216.6151 228.3336 185.2308 187.0016 203.6202 285856.4237 220098.2996 223945.4573 252288.8202 253754.0385 217655.2352 271631.4111 235797.4376 254481.1131 183721.2260 203961.0804 188408.9622 172630.1252 236284.0659 160090.1348 235290.6414 215053.4739 174592.4990 251824.2523 178542.9517 193433.9432 252071.2446 194911.6784 236734.9663 301105.0483 228114.8215 197419.8942 163879.8124 159819.3582 188897.5172 161046.9936 230841.0867 274026.5604 244961.8395 286347.7529 230595.7608 267036.3286 239250.0585 197974.0450 270890.2547 201550.3980 208941.6026 222088.5317 306481.0475 233394.7452 240449.9253 345321.8264 296291.2133 206295.8013 342577.6959 229192.0771 287852.9297 289686.3345 PC(36:4)>PC(16:0_20:4)_M+H2CO2_feature3 PC 16:0_20:4 149782.2352 172888.6227 144790.4633 167925.9789 167724.5856 153789.8343 178991.5961 212887.7185 220238.0965 182496.8630 175.6027 172.2641 188.0878 135.2880 137.2262 143.4222 190078.3784 192849.0058 172857.3814 190952.8323 176913.1249 179391.0699 187097.1167 203705.3989 176890.9514 159298.6054 166233.2017 188241.2338 168293.5837 159855.4365 130040.8231 176107.5309 172534.3145 140896.7496 252774.8449 180522.9360 196382.8036 233747.9189 205263.6770 176357.8581 251146.3031 180315.8796 185677.7718 121162.6362 132838.4765 211795.4566 191844.0122 208509.1141 246803.8942 163972.0987 222623.9203 167899.0012 194635.9638 141601.1291 198382.8580 170369.0240 181617.8685 198649.0204 195938.5417 153986.9920 143858.3718 112229.0833 201506.0865 187485.3591 148586.2865 176647.3511 183468.8559 143902.3049 211503.7136 PC(36:4)>PC(18:2/18:2)_M+H2CO2_feature2 PC 18:2/18:2 353200.7048 407087.2515 334467.8686 411416.3284 365467.9878 254836.3573 335639.2427 334084.1213 368005.4589 257658.5135 209.5656 204.8353 205.8564 157.6322 160.6554 168.5427 393733.6708 374136.4781 370740.7817 376244.5621 378193.8871 377230.5325 374747.4203 381170.2167 385996.6584 360525.2990 362795.6796 319309.1566 325286.6227 334377.3708 312932.8748 327591.9040 359700.5295 325959.6364 411484.4149 388953.7571 387215.4883 447747.7377 314030.0770 410149.3820 424085.3093 398399.1888 368510.3194 289567.8773 255254.1890 262309.2419 378195.4924 399692.9362 416900.7433 366113.9650 477376.1876 396588.5872 469526.9142 348407.2841 454494.8376 543723.7616 360922.8660 389148.5803 381014.1442 424214.1314 391622.9098 313943.7326 509626.7235 466938.4667 413395.4725 461874.2053 427340.2868 404332.9358 540206.5964 PC(36:5)>PC(16:0_20:5)_M+H2CO2_feature3 PC 16:0_20:5 134951.4269 143713.1257 113476.9731 163691.1053 123384.8098 91977.2368 108437.1524 141036.2204 140832.9470 128793.0680 221.3054 218.1799 208.3456 175.3627 165.5316 166.8084 127931.9058 130013.5423 127934.4840 131105.5986 122543.7544 123318.3128 126685.2549 135657.1418 126657.5364 107711.6262 100011.0599 99333.5366 92917.2026 115305.8820 89702.2382 85687.8278 121084.2235 81529.2865 140655.3633 99669.7055 112424.8354 160226.6589 130248.0560 120129.4610 155839.0511 104077.7128 98878.6192 80494.6899 79977.0450 110729.0034 89961.9503 120829.1366 135682.2797 138147.2761 204270.7984 122866.0253 164689.5261 133929.6144 162862.9191 205199.8375 144196.2898 151193.3938 140100.9716 171696.7347 132175.4144 129964.1751 183750.0223 160339.4338 85933.9299 168973.8710 123677.3348 120509.3219 175755.7708 PC(36:5)>PC(16:1_20:4)_M+H2CO2_feature2 PC 16:1_20:4 101130.6812 93202.9671 139648.5360 123221.3677 83626.9832 82504.6055 91584.0911 74158.2731 149330.5831 91435.1709 192.3246 182.6504 184.0780 181.8771 182.0196 182.7747 91957.7661 88273.1724 105059.4890 101344.5172 111616.5929 117017.9969 82256.8440 98692.4417 89617.7156 85704.0638 68463.0325 96560.0166 118156.0116 65820.1383 60194.5288 113607.5588 69970.5091 67091.9637 134410.4960 62140.2713 126337.9143 99861.0455 106682.9485 95960.3894 125417.5927 99983.2028 96041.4869 49666.5062 79087.7007 92274.5791 85867.5334 70173.1758 150176.5400 71828.5199 111164.4824 78442.5022 57408.6660 60400.3722 89588.5635 101450.3464 101040.3037 128505.0252 107178.9862 93629.0147 89405.4693 69183.9644 76675.0168 68220.2615 70605.5668 115829.8536 75568.8078 91371.8916 103111.2278 PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature3 PC 17:0_20:4 117179.9592 113864.4464 106754.1975 118358.3938 114174.1639 121335.6475 148661.0689 172797.1402 187263.5828 135459.3144 212.5627 224.1709 226.4277 185.2087 191.3696 194.4915 144741.1926 138893.8482 141181.3527 135257.2771 140876.3705 141500.4069 142599.1315 136559.0177 143819.6030 157696.3954 166617.4447 174725.8869 175523.1321 105625.1244 93290.8422 126245.2090 154064.9601 111926.8096 182308.7572 152310.8658 159538.6954 197582.7878 140159.3737 111313.5439 162353.2902 127660.2926 148787.6667 103384.0637 120657.4525 149281.3197 167006.2285 174365.2484 190589.5955 131763.9644 167400.9474 115347.3321 137458.9376 104207.6134 167731.3426 161869.1282 146299.8634 146886.5967 150128.6286 114431.4393 116852.5769 90495.4280 149604.2620 145408.5260 145504.2284 152636.7483 152373.2674 127252.7004 162191.1532 PC(38:2)>PC(18:1_20:1)_M+H2CO2_feature3 PC 18:1_20:1 57723.2848 66803.8300 63488.4884 90514.1321 48799.5176 40846.6306 35438.4241 64390.7809 59689.1885 55904.6811 349.2312 258.7331 255.3750 226.5659 227.7959 236.3641 65999.5341 68655.9003 66159.8385 66714.5413 70000.5799 63389.3629 64681.9881 70357.6073 66771.2651 55893.9742 58038.4811 45407.5903 48151.4091 55717.9722 55445.5462 65207.4986 73213.3588 63624.2522 49633.7000 56188.3521 74238.8930 80711.1520 67081.4403 71561.5091 75590.0213 67402.8407 73675.9327 34942.2034 49264.6425 33117.7469 72165.1324 51853.8082 75469.4856 79792.0344 80629.6883 72999.9059 81421.3371 63608.6104 61643.2454 71969.5040 45856.2442 60115.2299 55703.4474 69546.6722 84481.6285 62606.8671 102225.2452 88641.9500 62654.6570 82686.2069 74547.2552 66952.4815 62339.7794 PC(38:3)>PC(18:0_20:3)_M+H2CO2_feature3 PC 18:0_20:3 327171.2746 285501.7892 284447.5488 390825.3339 268246.8481 215188.9049 262364.9175 333677.0047 306954.9061 260395.0834 250.7004 254.7067 276.4971 216.2115 228.4590 218.1951 302743.2619 289395.2878 296453.2217 308074.6354 303242.9584 307169.8129 289665.7607 304114.8813 295191.2206 302136.5031 278961.3681 284161.4598 279454.1829 264907.8017 189390.1756 271293.1488 245020.9305 204457.7168 325934.2873 264365.5922 266071.6957 378525.9204 276975.1663 255444.2312 346803.3154 263584.7982 251343.9268 221217.8839 215553.2220 247525.3343 247470.7129 306843.5288 335797.9608 281429.3480 436475.1238 299068.0025 357437.7138 307973.5326 287830.7169 351001.3704 283070.0539 294081.6500 301287.3469 407964.2361 300940.2653 324032.2363 403333.5820 365969.7333 269487.3284 462520.7697 349750.0432 354364.6267 475851.6339 PC(38:4)>PC(16:0_22:4)_M+H2CO2_feature3 PC 16:0_22:4 104805.8294 149877.7669 109627.2418 165903.5625 107681.6593 102125.5369 150947.7685 150900.1712 176928.8501 112969.2914 188.6268 206.9452 205.6842 205.0005 210.5935 218.5005 146714.6197 139416.4698 122764.6752 157635.4276 138608.0562 135267.2132 145277.2365 149322.8699 132047.4043 93034.0458 113103.8002 106119.2614 143298.0200 112369.5583 118007.3678 156722.0580 142821.0530 107998.6597 158006.3665 142297.8575 160570.6514 160893.4369 140126.8892 145563.2994 142701.3898 180397.0066 178401.7689 117848.9085 133218.5156 131623.8969 131932.2961 143232.8223 187250.6151 159720.7815 178080.4396 129697.6829 166246.1531 100006.7593 136108.6755 104325.2218 122131.5493 170018.0691 120793.1573 109597.9677 118010.9766 90660.0614 140214.2625 162796.1533 94938.9786 171442.0889 141371.7287 130558.5212 133393.2680 PC(38:4)>PC(18:0_20:4)_M+H2CO2_feature4 PC 18:0_20:4 5469939.4440 6078249.8330 5424012.5610 5746402.4480 5989838.1410 5994862.2570 6805977.4330 7535881.6160 8062372.3560 6359694.5350 281.7291 234.3416 307.8391 264.0091 457.4727 254.5748 6840933.9920 6508835.0750 6731758.2760 6494778.0700 6494672.1270 6785070.2680 6500291.4220 6717700.6060 6739358.1750 6831302.5210 7150719.9050 7532046.7430 7841951.2490 5084405.3480 4790353.4690 5674652.8010 6055310.5410 4991683.1940 8683286.5830 6973973.5850 7291220.4450 8487790.9100 7036410.2290 5597081.9620 7175961.6070 5713675.5920 6531472.6190 4704591.8000 6264543.4940 7330588.2760 7539352.5530 7051521.6570 9158117.8800 6226965.4570 7614394.6630 5597383.4150 6453939.3700 5003211.9720 7885948.9060 6652580.5090 7272638.5520 7748618.6480 8329333.7730 5646414.7020 5429902.1970 4300865.5420 6482240.9510 5899198.8450 5907723.3170 6814559.5380 6907120.5210 6074492.5070 6709594.2130 PC(38:5)>PC(16:0_22:5)_and_PC(18:1_20:4)_M+H2CO2_feature4 PC 38:5 1373763.5300 1630949.8230 1399364.1300 1591446.7350 1475550.1980 1260472.7980 1476471.3490 1633656.5910 1739806.7830 1358454.8850 210.4372 211.9807 216.8340 197.8222 185.4280 199.5084 1553875.3740 1533802.3440 1568510.4100 1535227.1500 1549184.8290 1530056.8150 1563081.5010 1595735.3980 1507109.5480 1323558.1820 1374839.2930 1430512.4340 1465850.9000 1416075.0150 1296984.7650 1505408.8660 1566579.4630 1405677.3480 1826885.0420 1515057.4030 1659733.3310 1901208.1760 1597222.9760 1657734.3540 1864255.1240 1569260.9830 1600048.5730 1280043.1960 1288242.4680 1576107.8840 1617603.9310 1586421.2200 1876483.6790 1625161.2500 1835146.7600 1566941.5300 1687650.5190 1291087.8460 1616799.3870 1490618.0310 1498237.0020 1670136.5700 1621809.6910 1429951.2810 1456964.1560 1134586.8360 1715951.3420 1556224.9470 1462244.0940 1458661.9660 1601304.5660 1394523.3900 1522328.9240 PC(38:5)>PC(16:0_22:5)_M+H2CO2_feature5 PC 16:0_22:5 56581.8148 56873.0945 49987.8874 61211.7983 58261.9200 39548.7841 42951.2787 53270.4198 58891.3966 50435.6179 198.1357 210.4031 211.4123 176.8372 202.5793 202.1684 65014.5444 59260.0561 57727.2235 63767.2842 73256.6102 63558.3017 62276.6059 61567.2477 60130.6722 42774.0135 44891.9734 35661.7695 46827.6440 58842.7669 43143.5516 50347.0724 62775.0541 53572.7499 59152.9036 49211.5186 61796.2265 66927.3251 55071.9811 64018.9752 86260.0292 67384.3360 63143.7356 47550.6287 41174.2984 55073.3557 49698.1587 58639.2091 70896.6865 70761.1741 81004.8052 56334.3098 71801.9972 53523.8346 65515.7979 80503.3660 60778.9154 67055.2312 59494.5277 69069.2224 64023.7098 57362.3688 79401.9479 78055.0613 48569.8565 75573.7922 58875.3671 59181.9601 76796.2588 PC(38:6)>PC(16:0_22:6)_and_PC(18:0_20:6)_M+H2CO2_feature2 PC 38:6 1652289.1040 1852513.0890 1686327.7960 1699027.7520 1906543.9380 1079341.6970 1395204.8750 1331192.2870 1737246.0380 1195630.1240 185.6195 200.5413 200.6942 151.8764 160.2943 170.5556 1649616.1160 1563376.2190 1675052.7310 1679560.5520 1674981.2920 1660591.2490 1618304.0030 1704290.0770 1570547.5960 1067216.3180 1050089.2970 1262905.0810 1248643.1280 1795422.2220 1542393.4430 1632811.6120 2030950.2510 1600279.9250 1767765.9920 1530237.3070 1529883.8300 1884897.6580 1644691.9640 1987404.8010 2244301.2440 1963119.7470 2081316.9500 1444068.2940 1117768.2970 1784229.6960 1529717.1950 1418041.2940 1614192.6760 2094017.1740 2528229.2250 1646610.2570 2095698.3830 1539937.9970 1594542.1380 1496980.1290 1318005.8890 1610654.1940 1561831.6050 1863238.7320 1703908.8110 1363940.6960 2056540.9730 2016213.9800 1350099.7490 1265416.8730 1389594.6990 976820.3713 1450485.1330 PC(38:6)>PC(18:2_20:4)_M+H2CO2_feature1 PC 18:2_20:4 974077.5668 1040330.5300 931783.3530 1020516.4340 987050.3609 870369.0229 1099045.0040 1089752.4330 1358761.1640 853886.9930 189.5913 198.7854 196.4031 176.3120 181.3255 162.1529 1068679.0720 1091839.8680 1070926.2320 1123578.6860 1072172.9110 1104623.1320 1044936.6650 1108281.8770 1077820.6010 1054929.2360 1093229.5100 1221578.8250 1206407.8750 912636.2898 747914.1704 898478.4955 1018945.0690 840320.5739 1358111.9940 1083583.2050 1174643.5460 1493204.2710 1019631.5070 1054739.0420 1252565.0130 977555.5003 1074524.3670 797999.5667 794595.5980 1072190.9330 1230232.8620 1169510.6750 1405790.0210 1064765.8270 1379192.5510 966582.1895 1183172.4000 884126.8591 1361547.5240 1226242.3840 1033958.8810 1304299.1410 1238711.8500 989029.1443 950374.7550 768375.3784 1213159.3340 1154383.4380 1060749.4950 1170259.2760 1147384.1860 1005581.6210 1249995.8070 PC(40:4)>PC(20:0_20:4)_M+H2CO2_feature3 PC 20:0_20:4 45291.2784 50661.0923 52843.9192 67323.6214 49673.6671 35390.5458 44446.8879 57528.5382 66187.5488 45409.7988 206.9603 218.9125 221.5939 189.5443 197.8024 202.6690 52030.9754 51234.2462 54826.6594 53779.6262 54046.0378 50607.2836 52187.5677 55492.2537 51008.5065 43202.0832 44753.9710 33499.2180 36932.3306 48915.7723 37340.8768 57126.1821 60210.9384 56060.2986 54556.9465 39328.6243 60207.9936 67494.7491 47949.9479 59805.5464 62530.3217 57120.6375 60378.6869 50979.8271 38374.9137 40937.7340 44376.2664 66474.2725 58755.7507 56079.2182 71461.5952 62511.7655 56527.3811 55522.3700 49482.6427 52944.9192 43715.8182 51214.0430 42653.6464 52418.4789 59452.2911 43943.7489 70673.6997 59407.7790 46446.9639 70504.5872 63547.3686 52553.8201 55943.3306 PC(40:5)>PC(18:0_22:5)_M+H2CO2_feature3 PC 18:0_22:5 166279.0982 145223.0654 134071.8192 161904.8450 117110.0083 120933.3405 158107.6427 132234.6387 160988.0916 123478.1941 360.1819 365.8569 494.0371 296.2805 392.1551 359.7822 145142.5286 173368.5073 133591.6484 183962.5919 159133.6705 161595.7754 162903.0279 159574.0314 145849.1308 129224.9667 142016.7912 120989.3531 88425.8197 77536.9118 104046.1120 138207.4529 164921.7388 126680.9656 206378.6101 181426.5828 144198.5285 177619.2084 128181.1938 197640.6345 160925.1080 156676.4490 175077.3076 125722.7370 117391.2666 129491.2680 179873.5335 163721.4820 157448.3391 142463.4336 155133.7775 146149.1381 148974.1369 153395.2845 138056.4234 171257.1330 106258.1994 136068.1822 85854.1758 120018.2396 172237.0451 144204.0685 222621.4805 220213.2419 153647.3801 173794.3165 166961.4968 127594.3119 135489.6711 PC(40:6)>PC(18:0_22:6) _M+H2CO2_feature3 PC 18:0_22:6 421477.0926 518030.0030 441985.9396 434556.2547 513432.5449 311769.4949 357338.6139 351357.5092 470057.8306 328093.6252 199.2983 208.5074 216.5764 173.2158 207.1417 184.4324 433772.9627 416164.9499 410061.7191 409928.6533 414839.0414 407026.4625 423134.4349 438892.9911 409395.2234 287964.0124 296581.9816 361468.1472 343758.1389 422468.7757 374636.3814 395421.6000 513542.0494 374404.9265 473057.1877 375559.7854 399806.9467 470716.4619 426914.6673 446984.5445 593631.6184 462241.2273 510764.2786 366112.5407 300516.4738 455786.9524 439880.5627 371978.1626 449692.5996 506053.2107 694508.4840 419938.5679 566296.8151 448784.1553 419060.4409 370084.8081 336950.1595 476363.4034 452467.3769 476006.1905 462555.2755 355665.0013 531092.7364 508228.2806 320849.2119 318131.8831 368643.6994 262335.2046 352878.5780 PC(40:7)>PC(18:1_22:6)_M+H2CO2_feature3 PC 18:1_22:6 67308.5682 93951.2398 91964.7554 49040.4094 78325.6302 43127.2582 58703.4408 48705.1142 46918.7503 48310.0720 244.2386 252.6753 242.0180 214.4029 222.1672 225.7113 75837.0453 74038.3173 70993.8465 76558.8798 69801.1138 65972.8979 66907.5100 77904.6076 79363.3193 28832.8975 27954.1710 43488.3366 44111.1006 63645.8694 59606.8110 75723.2663 92132.2438 70029.6605 68818.6329 51883.9574 67400.0350 67476.9602 60530.7031 88061.6751 80211.3974 94257.8330 92337.3814 67678.4714 53576.3673 58050.4312 70774.2972 64797.2655 64738.7826 93321.3385 108031.7806 84462.7661 105112.3109 71942.5299 36877.9326 57523.2233 58354.8451 59156.0836 54155.9383 80673.4947 69911.5864 56153.8428 92067.9754 80926.7728 52476.8556 61244.0370 38156.5846 47870.0093 31527.6655 PC(40:8)>PC(20:4_20:4) _M+H2CO2_feature1 PC 20:4/20:4 308459.5545 318016.4747 292309.7700 283422.8347 329709.4283 263410.0361 335424.0064 332749.9147 472300.2874 256223.8136 200.7616 190.1014 207.0462 155.0565 157.6766 157.9463 333389.3548 315474.8095 339278.7506 326196.1269 333121.6892 326107.9888 327882.1734 327295.2946 330102.1793 325643.2116 328562.2109 418235.7992 395063.5847 263625.4587 221062.5778 263258.5857 349312.6624 247353.3410 476326.7435 354490.1908 370925.1894 474501.6795 332418.8194 293296.7853 418202.9849 301868.0926 349697.1717 258472.1549 217290.3991 383077.9880 467680.5076 376371.3911 431410.6620 325682.6531 476858.6371 294311.7370 381060.0924 271852.9129 412665.1290 336917.8057 304813.4060 387863.1545 377202.8001 244390.1579 285818.7478 197197.5813 321962.3937 323923.7890 271192.5709 264612.9971 314153.6236 257233.5375 316762.2488 PC(42:10)>PC(20:4_22:6)_M+H2CO2_feature1 PC 20:4_22:6 75732.6296 68860.6486 66360.2319 72972.7714 79570.8127 39808.6297 54519.1366 57567.3149 83258.2408 48594.8625 157.6588 165.1902 174.4394 146.4358 138.1475 140.7225 65033.4321 68946.2536 69225.6224 66200.7663 69970.6508 66024.5246 64089.5316 70284.3164 67258.2660 49075.0099 49806.3996 60031.2807 62035.4276 59667.2360 48626.5313 55077.0766 82852.9679 52765.2369 84703.2959 56291.7260 66853.8971 88245.7824 60708.0317 67403.2225 102154.8689 71435.7735 82581.6511 61685.0871 34033.9134 66455.7879 72734.3449 62766.1873 73964.9313 76595.3454 139348.9169 72337.6117 103444.6094 66080.4130 81898.9153 73126.0589 56584.8020 72436.1964 71980.4149 60376.2046 67249.1395 45357.9524 75959.3286 78027.3980 41495.6517 46532.0845 52588.3505 44241.8266 55768.2651 PC(O-32:1)>PC(O-16:1/16:0)_M+H2CO2_feature2 PC O-16:1/16:0 27622.8541 34746.6762 33014.6285 32100.2643 36188.6023 36995.7279 45023.2817 49593.0541 50337.5882 43764.6436 270.9424 313.3665 287.1228 235.0014 260.9992 252.8604 41341.8840 38565.2661 39992.5913 38968.3071 39435.1744 38595.2274 37178.8729 42913.9851 39745.3157 34596.4464 34620.0600 32577.7963 29686.9468 32982.5971 25331.7129 31870.0116 33963.2834 28155.7693 49512.4967 38621.0310 44543.8058 57396.2939 48303.5518 33118.6396 38817.5950 31122.2365 33966.1306 28376.7242 38498.7141 42638.8333 40381.2159 44983.2039 53340.6656 36839.0626 46883.7023 31327.1089 38045.0095 30579.4801 51369.6626 46806.5444 48606.8636 45185.3427 44481.3544 32661.1193 31917.6896 26527.4441 34201.5349 32909.2827 32585.6584 45802.1032 45326.3012 50239.3021 42566.4978 PC(O-34:1)>PC(O-18:1/16:0)_M+H2CO2_feature2 PC O-18:1/16:0 150394.2075 145542.3585 122199.3128 147218.2341 136248.5611 120335.8071 159593.5093 156413.3740 183478.7770 121521.6054 268.2475 250.3207 262.0044 232.8626 241.8261 229.5415 147650.8608 144283.3170 140380.0307 149817.3504 148295.3475 142357.4980 143136.4996 148150.7844 145355.9726 106512.9852 105361.9464 113522.2315 120738.3967 135142.8006 121163.3315 140917.3902 170048.6695 132439.4013 183091.7519 153805.6272 171401.8604 191519.6926 167288.8027 173410.5804 205887.5119 225300.5121 179353.5317 112829.0282 127907.8283 161195.6907 167590.3467 148119.5956 205547.7829 158571.4532 195687.6846 115173.3291 149147.5190 99837.8053 154327.7660 123158.8816 135161.3303 159790.9997 144404.6334 117536.0386 144561.8317 90361.9579 147799.7462 134573.3654 118259.9111 118657.2194 135863.2650 114220.6533 131730.6595 PC(O-36:4)>PC(O-16:0/20:4)_M+H2CO2_feature4 PC O-16:0/20:4 198845.6880 193182.6958 172172.0475 204632.2109 204267.1773 150095.9162 184201.7183 202737.4737 235298.1243 169145.0475 220.7992 248.7920 216.9882 212.5988 204.4278 208.0673 186190.8164 184104.0444 197923.2920 188439.0561 193008.1436 187789.3373 192367.8071 183755.8875 189128.4771 130028.9330 137846.0025 133218.0719 139968.7572 171923.9888 150790.9068 186296.2598 213501.2102 164303.9705 230459.0412 177318.0192 216337.2451 246857.1832 211813.6884 223348.5338 269495.6749 240755.5327 245100.4873 158825.8326 162240.7778 204504.5786 191776.6139 195280.7982 248309.4583 210230.8321 259516.0867 160410.7556 205555.1467 147306.4180 203177.7880 171818.2379 189802.2653 203942.4121 181879.9339 172285.0687 170632.2966 129874.6906 194740.4550 181816.5140 135704.5048 157147.8493 156076.2404 145025.1396 162464.6917 PC(O-36:5)>PC(O-16:1/20:4)_M+H2CO2_feature5 PC O-16:1/20:4 397318.1441 523492.5383 467647.0446 549035.2009 490193.1047 558806.9808 642456.9396 783617.6621 684796.8402 756073.5396 220.4544 225.7528 234.5890 186.9693 195.6405 188.0832 610366.7454 580574.6412 578465.1656 614557.7743 598493.5445 581173.9250 619353.0953 587873.1272 588820.8992 657394.7103 651069.6981 538526.8275 521919.1328 456662.8468 418179.5058 499014.9020 443536.7083 426935.8733 727785.2843 602560.3802 736937.8795 847089.8381 756954.6067 482180.4362 601149.5381 530393.7370 555437.4457 426418.8974 570177.6630 662121.8799 615952.0946 725464.8215 864160.5477 527141.8939 625522.9002 461796.8936 551967.3780 448676.0874 725537.6996 825693.1649 805358.1715 663546.1530 712487.4839 511422.1598 479972.2784 404206.2741 553178.1357 540866.7714 533270.8313 677593.4204 688158.9016 755276.1170 691421.0866 PC(O-38:5)>PC(O-18:1/20:4)_M+H2CO2_feature1 PC O-18:1/20:4 133162.6275 115618.0962 105336.6802 127467.4381 124935.0217 81687.2994 98446.2871 105734.5446 127649.2107 87294.4828 206.1189 230.1589 216.1940 200.1864 191.6863 196.0141 109745.6586 108352.9679 113554.0394 110084.1726 113583.0555 110055.5790 111142.3758 110061.9637 109454.6913 75094.8367 82778.3882 70402.1911 75451.9156 98488.2667 93240.9497 119000.2444 129141.5446 104654.7563 122323.2256 94225.0067 117373.7678 130040.4652 115645.7370 140477.5399 178966.2358 166315.4676 158391.6025 98668.6248 93109.2960 102205.9412 107645.0639 106501.5767 138629.0729 141269.5514 166731.3897 93938.8599 122750.1803 89033.4615 111149.9521 89754.1909 98446.5483 106877.8263 94343.8717 91700.8886 108998.8525 77308.4945 115563.0547 109697.7076 82634.2003 89950.4145 92470.0178 86477.9160 90401.8705 PC(O-38:5)>PC(O-18:1/20:4)_M+H2CO2_feature5 PC O-18:1/20:4 44468.0022 50039.8617 46715.2317 50535.2554 51953.4329 42084.1000 55953.8570 65616.6257 64430.1175 48805.6043 243.5081 233.6509 244.2371 201.0824 208.0493 192.6576 57428.0289 54830.5594 52877.9432 56750.3090 52815.3139 57159.9249 51473.8956 58422.0334 55453.2511 55581.7048 51238.2268 49559.2253 50085.7683 54542.7972 40175.5179 48616.2981 50681.4855 52553.0449 63310.5714 49434.9484 60875.1710 70062.8905 60589.5922 55904.4785 67430.0256 59246.4103 71921.9921 46402.1098 44872.1605 50486.2265 56588.0882 59925.6609 67826.5290 54607.6274 75648.0781 46785.2328 62748.5600 51458.6693 54080.4933 56079.4565 62934.5285 50133.7399 50802.5975 50324.1148 54886.9060 41368.7079 67634.3840 62652.3466 50934.2222 65305.1988 62535.3230 67160.3762 68923.6795 PC(O-40:9)>PC(O:20:5/20:4)_M+H2CO2_feature1 PC O:20:5/20:4 64473.0334 67832.0454 64588.5365 59277.2710 71691.8650 68235.6419 76219.0832 83299.7764 83892.6626 69989.1630 269.3057 258.7274 340.3345 270.0423 348.8806 305.4082 83589.3778 58266.9547 72060.1403 56768.2239 57189.6163 74183.5280 70125.5936 63978.3445 76389.6411 79309.5780 49512.2257 77665.8195 80065.5865 63442.0272 58917.4450 64546.5528 64930.0383 61522.4692 84425.8490 60774.8798 69668.6802 71583.8039 79319.4132 60570.0350 74714.3112 63492.1306 68994.7479 55428.6555 74425.7500 68571.1483 80090.3375 73294.4155 80734.0966 65980.8091 76533.8254 51951.4001 79745.2985 59948.6125 63629.9988 76649.8324 80464.6449 73739.9085 83702.9578 64799.9921 67309.6651 54164.5890 72080.6859 67569.1027 65494.2257 74288.1322 56348.0021 74306.7330 62174.7199 PE(32:0)>PE(16:0/16:0)_feature1 PE 16:0/16:0 92005.3737 114074.1656 92187.9915 91629.2950 101480.9019 101727.6673 133908.2299 160115.0986 139170.6381 101244.8511 188.5090 189.6049 186.3159 168.4277 171.2167 161.5930 113540.4119 106086.0927 113104.7826 111300.5229 106526.3674 106909.0388 107971.9953 111860.8714 113350.4032 132555.9173 127346.1675 130367.8287 130750.2070 101219.6983 88357.2763 104925.2145 112449.8896 78574.3864 173962.3702 144794.4299 115997.6966 151707.2722 127539.1892 92983.1525 129465.5920 113468.5155 102959.7277 81226.9982 93056.2802 134689.4321 104643.8037 110183.2540 163906.1608 91673.7726 141034.5735 82508.6512 107932.3648 71889.2302 128476.6094 104568.1923 119987.5309 133628.5662 128251.9017 85749.4387 95671.3548 61851.3268 93031.4355 91182.2538 88729.2392 97900.0543 92571.1501 73658.0149 102857.0070 PE(32:1)>PE(16:0_16:1)_feature1 PE 16:0_16:1 41861.0659 48548.0742 49903.6414 40247.6026 42295.4632 24009.4161 35939.2542 31137.2731 32203.2619 23628.4401 232.8382 215.8726 213.3177 173.3333 173.7587 160.0573 37389.0339 36652.0981 34925.1126 22719.8477 34729.6266 31168.1008 36018.4992 35370.2525 35107.8671 18341.3075 23187.9420 29532.3808 21984.9918 46077.4181 32968.1886 41879.0624 39717.7467 28716.1664 40968.3442 32285.0233 31223.6145 35500.0330 32293.8828 45517.2268 47189.4974 48527.7135 31093.0542 23869.2812 16002.6627 37142.8832 24949.2902 22898.9921 31066.4124 40125.5032 42266.9334 36476.2270 43335.2232 26278.9735 33332.9970 25911.8764 23577.8007 31157.8336 26184.7931 48609.3428 35259.9501 23225.6844 28597.7592 29758.1731 20637.0357 22982.0058 20819.8188 18076.5341 27595.8273 PE(34:0)>PE(16:0_18:0)_feature2 PE 16:0_18:0 54879.1965 69480.0924 60033.0030 57868.3817 60147.5765 46346.4859 58142.7926 68647.7912 77411.0805 48652.2391 179.3595 184.1991 179.0111 154.8421 163.6112 157.8931 58134.7015 59414.5719 61859.6924 61846.4698 60419.2106 60332.8866 58166.8943 61834.5692 58783.0664 67871.2757 66472.5020 62875.7418 65145.2010 61627.2140 51855.0935 64597.5937 70187.6046 53715.7212 82561.3364 64536.1558 60758.1656 80863.7156 64914.3336 53375.4195 80384.8358 71220.2675 76968.0580 44306.0178 42932.9439 61036.9732 61765.9652 62558.6318 75955.4533 63886.1392 86733.0164 57145.4834 68883.8036 53069.1752 63719.7400 52533.7108 51035.3695 65205.8930 65618.4578 54106.7113 61982.5828 37332.4364 65225.7656 63299.3677 43519.1276 48533.8120 57819.9410 41819.6221 58516.8364 PE(34:1)>PE(16:0_18:1)_feature1 PE 16:0_18:1 727921.2804 907868.2205 860407.0285 980778.3683 759446.2920 564190.3507 726246.3994 805987.8511 831293.3173 584506.4801 243.3111 250.6720 246.8905 227.9275 230.6923 221.0212 775394.3268 753185.3757 775895.9345 784994.2012 767509.7487 765293.1182 769094.9955 770370.8057 770774.9105 649975.0899 633779.1639 570576.1759 562275.6332 799877.5505 754420.0551 847695.4292 861257.1692 752939.5929 867461.2236 720590.5434 770942.5519 849622.8183 790974.3962 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17650.9898 22884.8919 21774.3750 22509.4110 16919 26864.5514 17809.5310 27724.3674 23075.7839 20793.5655 25623.1313 25546.6398 25615.6159 21126.3554 PE(O-40:5)>PE(O-18:1/22:4)_feature3 PE O-18:1/22:4 303416.6405 336556.6271 291275.7339 358314.3567 330668.2180 284066.9405 335693.8547 394902.5845 476199.9557 308192.3515 167.1792 194.5349 202.2640 150.1085 184.4492 212.2451 338231.2679 345728.6403 352738.4553 367138.2106 364069.2373 347772.8379 363880.0065 348410.1810 332643.4308 285926.6893 299752.6968 306754.1302 317710.3745 336449.7196 274229.6968 345705.0261 379553.4970 324955.6759 415414.7926 330333.4253 379263.5030 421029.2978 357452.1088 384233.0664 484086.5294 377811.4092 450174.4165 296082.7629 332097.9329 346151.5446 350636.9682 404670.5903 432270.0045 372344.8063 440302.7977 312340.6210 362803.1457 304618.0223 333187.1101 291588.5219 315386.8557 354782.3643 315046.1488 287124.4237 354452.3441 244592.5390 392136.1213 352165.9134 310840.3420 366394.0577 366650.4154 344051.2676 360670.5551 PE(O-40:6)>PE(O-18:2/22:4)_feature2 PE O-18:2/22:4 68086.4054 63965.5882 62872.1911 67232.3871 38938.3606 65710.4739 86790.4403 99988.8691 93229.9640 61736.9308 317.2698 301.7854 312.7593 174.2783 179.6013 169.6270 60557.8132 63733.8642 55620.8845 72722.9758 68391.2196 63699.5779 62203.2205 62529.2064 62043.6357 82182.4392 52787.2288 53816.7422 54551.4624 73928.8671 59134.8335 69218.2676 79843.9362 73564.0765 101393.1630 83257.7083 68229.1743 71784.9751 90783.7876 77006.4669 80175.9578 88654.5241 78490.9685 60275.0838 61814.7151 44245.6797 100398.8645 89912.8591 82446.1316 65338.7539 85055.8092 34450.8750 63837.6710 34145.5103 68201.7853 38144.6563 40009.6591 60856.6444 58481.0199 54599.1640 44819.8584 25813.5366 92963.7565 75581.2136 62252.8019 68439.9705 81818.5635 72238.4794 80291.3921 PE(O-40:7)>PE(O-18:1/22:6)_and_PE(O-22:7/18:0)_feature9 PE O-40:7 315340.6373 355414.3705 295864.7923 367039.0516 366098.3978 230383.8268 301515.4456 320280.8223 396541.5607 266664.0009 211.1201 203.5547 212.9679 185.1722 191.7300 181.9314 344074.4071 337027.9931 332539.2550 353709.8104 341560.1879 335222.4059 343382.2516 344880.1973 336682.5523 229412.4626 224637.5235 278189.5553 270415.3952 376353.0032 264453.6746 320149.1415 408680.9437 336622.3325 392740.8496 305394.3564 353865.0537 422962.0943 348771.3483 413442.6763 479728.4897 440746.5108 415865.4389 266711.6528 263492.8654 338856.5901 336615.6309 352552.5461 402415.1146 381335.9368 516145.9208 300766.1321 444682.2994 332445.6755 339537.1254 309265.2745 302327.3907 362392.5553 341153.2331 351097.9466 360778.6199 269368.6265 484951.5732 390126.2520 264073.4230 298827.8837 306817.3990 241370.3597 361624.3746 PE(O-40:8)>PE(O-22:8/18:0)_and_PE(O-18:2/22:6)_feature2 PE O-40:8 167866.7031 176259.6489 92365.0734 232865.6153 178010.4209 96641.3875 82565.6476 148378.0185 168841.4559 126204.6196 218.5939 229.6281 231.0384 154.2202 158.9739 161.1881 164048.5948 160913.8097 163988.9433 156252.8785 165187.4276 159898.7818 168819.0562 152509.3377 166251.3987 99935.5968 108386.8204 57215.2897 109129.0466 160159.0015 134687.5094 165058.1966 198278.1488 158159.6364 166837.5419 85713.7806 186114.0826 186324.4176 170287.6933 216589.2295 277034.4350 272046.4097 232176.6957 123797.7250 113199.6575 153358.0278 152520.2682 163342.8146 201733.2851 256197.8511 295231.6617 169667.3340 213112.7679 141258.9440 161827.9949 164150.1471 134587.9871 155094.9360 134836.6629 186977.4282 206920.1973 126765.2406 252584.0694 214145.6866 68057.5911 123833.9846 138926.8222 123749.9101 154118.7563 PE(P-40:4)>PE(P-20:0/20:4)_feature3 PE P-20:0/20:4 140401.4269 189504.4077 143606.2158 188265.3019 147989.6344 116026.4868 138412.5194 183017.8450 183773.6353 142647.6099 134.1192 166.7609 156.3396 130.2774 186.7087 168.9325 159909.3809 158020.3726 165894.8691 158922.7149 150620.0345 161970.5002 154488.9762 165982.8345 159754.4930 167396.5667 172100.7452 137157.8590 142799.6917 157675.4513 140096.8657 167962.3847 165368.7481 145590.1431 155552.5572 136176.5415 169232.8459 184027.4673 154188.2059 161144.7858 200656.7429 160983.7939 177437.6374 134602.3468 127328.6488 125361.1360 130957.4919 164952.0793 182461.4131 167071.7845 205647.3219 178249.9140 191832.2955 147954.4512 154906.3330 143472.4111 155576.9762 146809.2489 135051.3868 146062.6779 162335.9507 134662.0964 210966.9004 186572.9894 130247.8959 174712.1978 166937.9596 143245.6552 155864.4334 PG(32:0)>PG(16:0/16:0)_feature1 PG 16:0/16:0 18809.4901 21973.1695 24110.8316 19543.1664 23262.3253 40463.6770 54466.5348 72197.3879 41137.3788 31433.2395 123.9991 135.0829 134.9300 159.5803 179.5687 180.0899 34501.7736 33792.8160 47275.6591 32073.1151 26470.1469 29572.7725 31907.9496 49223.8004 33395.2676 52361.0909 69310.9514 40226.3629 36220.1911 25839.8198 20347.3443 15823.6557 26928.2527 17014.1251 57857.5022 54812.7403 33117.8356 40724.2401 58565.0193 23191.8390 23489.2505 19631.0621 21779.1526 11885.0411 46272.0453 41727.2507 43240.8748 39507.1588 97357.4840 19554.7243 21351.8362 20498.7422 24991.3377 20551.5397 43873.5635 49094.4385 54963.6904 45600.1556 36572.4930 24243.7532 20598.8531 15385.0076 22221.8153 15555.2832 33070.2584 63338.3555 36418.6444 26501.4972 37164.8224 PG(34:1)>PG(16:0_18:1)_feature1 PG 16:0_18:1 1075809.1630 2512133.6770 1962449.3500 2511647.0110 1498505.4130 844467.0151 1289413.6910 2217284.7770 1905018.7260 1651184.0320 333.7733 341.6116 344.6811 177.6574 182.5851 177.0827 1868356.3230 1982481.8760 2061195.5020 2187040.4160 2124829.1860 2049418.2180 2221108.8290 1936822.1850 1911509.9700 1050921.1190 1476282.4750 1397287.5440 1541253.2290 1398703.6770 1106661.0560 2154820.8250 2410969.6130 1657741.0150 2464325.6440 1306091.3600 2521290.8520 2090714.4750 1585893.2100 2478920.6640 2542764.4720 2568972.0400 2198437.2750 1279751.5220 1282815.3290 2090063.3700 1943814.0820 2441976.7390 2412811.8910 1939265.0700 3206626.1250 2266352.6810 2496730.3380 1199408.6300 2298041.6830 2016507.6960 1916568.7960 2311277.1670 1511276.8860 1607380.8140 2404435.6940 1236698.0150 2537205.3570 2606285.5770 1587801.2900 1675951.2390 2123510.6920 1512725.9670 1989136.7360 PG(36:2)>PG(18:0_18:2)_feature1 PG 18:0_18:2 27241.9571 29292.6489 30975.5674 21102.1444 27688.0991 21137.9832 30167.6607 34432.0462 31914.3272 20537.7700 211.1429 220.1530 226.1427 150.9957 161.1564 160.0225 31244.4771 28963.2130 26925.8848 29099.1523 28564.8739 29736.5452 28921.9261 28103.9802 30470.7543 27344.9031 32786.7465 25386.2878 27801.4351 29410.1041 24430.1302 31433.5127 34562.2435 26896.2517 43177.0617 35142.7623 24913.2692 35980.5735 30274.8419 30469.1166 40563.5157 47972.1456 32307.0487 20673.4202 22032.2281 27774.6211 27081.9815 29602.1441 46479.6579 28929.1875 37857.0607 23227.6918 34874.3635 23730.7955 32745.5700 28349.5277 32429.1171 31482.5933 27577.3778 36182.1412 33626.6827 19171.5677 30753.9514 34100.0774 31305.4742 32775.7196 30106.0994 22309.0717 28944.2136 PG(36:4)>PG(18:2_18:2)_feature1 PG 18:2/18:2 28324.5579 47494.7951 45112.8321 36783.7227 29629.4875 26101.9661 34757.6164 39058.9456 42538.4905 22289.5727 143.2476 150.0636 158.9420 112.4147 117.8968 121.3703 35178.1041 36409.0811 34173.2167 34985.5939 35241.6624 36271.5625 33737.4670 35543.2361 35877.9333 41778.9594 39093.9062 22125.0394 22373.4481 36687.1536 45195.2724 44602.7208 39179.9080 36600.7194 35659.9263 34156.8869 31044.0958 36825.4080 32283.6144 40181.5225 41297.9792 51064.9610 33780.4735 31813.4076 26566.7301 23488.9015 28931.3382 43407.0817 41810.5357 31571.0409 33785.7860 41543.3958 33027.0121 30168.0753 32875.2590 27315.7053 33805.1817 29603.0517 22997.3695 34624.2928 40193.7744 21912.8633 40029.6168 39265.5554 44839.8418 40111.5389 51662.8514 29452.7373 31287.0056 PG(38:6)>PG(18:2_20:4)_feature1 PG 18:2_20:4 28804.9395 43682.1005 37555.2918 36306.6407 28596.6412 26299.6620 33407.4738 42327.4699 43168.1814 23910.6280 137.3066 156.1185 155.0507 134.3866 147.5325 129.7422 32487.6488 32512.2420 34130.1674 34675.4873 33181.0623 33356.0459 33270.3489 32841.0891 33046.5698 32433.9116 31935.7496 17403.8071 18242.3448 29755.4035 33225.6381 40091.8989 37813.6450 34202.8129 35876.6981 29031.9860 33315.6014 38233.0152 32722.8567 37811.4446 39597.7149 47398.8835 37066.2905 29558.9925 25866.6308 23001.8359 27138.5892 45258.9718 46252.7504 30042.3153 31867.0831 34196.9969 27012.9533 24076.8977 31367.9441 21193.0433 30205.0595 28512.6032 19177.0829 27671.9737 34681.3430 19082.3099 33908.2464 34517.1111 39531.7351 41316.3499 52790.9456 29757.4345 29055.2078 PG(40:7)>PG(18:1_22:6)_feature1 PG 18:1_22:6 88743.0624 112533.0006 109812.3052 123334.9160 80996.7929 53971.4811 85815.7429 90245.4333 94552.1536 58544.3228 193.9310 193.1219 193.0331 156.6502 162.3427 156.1420 85754.1888 85842.0532 83476.7597 94270.0857 88254.8593 86026.6624 85414.3706 87697.1536 85624.2397 62138.2715 55167.1872 54584.8978 42394.7731 77599.8644 93943.2366 97647.2507 90705.9841 74694.9481 97574.8579 70905.7916 88002.5279 103198.0725 91562.9356 101897.6460 115835.0267 121990.3141 88631.0348 67455.1304 59036.4886 75930.7507 79048.1525 94377.6908 106909.5583 94744.6261 116936.5918 90927.8066 114881.4863 68326.5527 88724.2189 69924.0894 84500.7587 80081.0986 68436.9508 90254.0468 94481.9383 59539.9793 112191.0581 94427.0315 85879.7313 84255.8940 92551.7070 66115.8299 71528.2323 PG(40:8)>PG(18:2_22:6)_feature1 PG 18:2_22:6 149288.6312 200410.8923 169082.9525 214550.6079 147309.0121 110628.9292 139069.7371 175478.2503 189238.6739 117965.2343 173.4682 215.0606 195.8386 133.4828 127.6477 133.7395 164772.2601 166360.8414 160111.5856 166443.2504 161527.1233 160104.0212 165439.6730 165582.6545 164260.2070 124271.8659 124214.9811 77377.6117 72532.2202 137462.3076 164740.2591 175028.2776 166042.1904 150461.9266 184120.6747 134375.6472 176278.0908 193110.3702 165380.2974 171540.7368 175651.6196 184728.2102 145341.0676 123152.9470 117826.2644 114904.0540 142367.4289 203765.8262 198765.9546 154190.7454 180676.5603 174900.9607 172810.2029 136494.9222 156616.4905 148443.1047 145831.4734 160960.1341 105433.8735 162427.0490 175102.6083 106460.3566 190780.0633 176424.2057 180834.4910 186094.4591 200003.6666 116592.7711 142001.7250 PG(42:10)>PG(20:4_22:6)_feature1 PG 20:4_22:6 90825.5944 107653.4805 97949.5370 137621.4407 87132.3355 69816.6214 81742.8405 116419.0418 133129.6641 77379.9868 140.3000 143.1175 152.2819 111.7606 116.8836 121.9604 94421.1721 95224.4608 90633.4315 92833.9381 88956.3377 90942.4949 95626.0859 94890.4727 92341.2946 69428.6770 69286.8417 46071.9757 44027.5840 78069.4383 78865.7419 96330.5702 107118.0178 96121.5632 108781.0691 69225.8151 104898.7144 117647.9750 96608.2403 110558.9817 102943.6547 97904.1809 90435.8238 80251.8031 62281.4208 68231.0739 73408.1183 138173.3633 116916.1269 98950.1736 107873.9415 100672.3541 90587.6109 71391.7295 89241.5650 75709.8400 78273.6617 96205.3651 51943.1130 78542.3445 99576.8043 59690.6722 116373.7734 111851.2729 98296.1188 118224.4772 126030.6730 57381.5877 85741.1696 PG(44:12)>PG(22:6/22:6)_feature1 PG 22:6/22:6 389165.2222 485173.6108 424327.8818 693553.4376 421432.4930 257152.1183 302667.7411 437324.6145 522445.4748 362571.9369 138.0606 150.8577 141.7658 116.7347 114.9505 119.2005 410016.7404 389536.4677 391964.0203 408672.1735 385583.8787 398138.3965 392082.2972 400488.5486 404623.1852 274105.7354 279202.4523 187050.6208 185057.4866 323182.3529 323846.9750 347022.3374 394694.2277 348761.8461 450175.1069 284099.9879 485883.9763 500722.2795 438761.3897 381868.4272 424461.6372 327846.3413 329489.8005 301811.2781 234284.6315 285440.1962 344083.7407 516294.3219 457936.4399 456347.8876 558050.0653 496939.9370 538412.1232 417092.3985 401237.7923 427214.2569 397668.4408 461997.3507 284440.9681 432251.7482 468739.1887 303459.4409 534597.6900 473070.8081 333563.3049 415963.1729 411291.6726 252140.4301 330561.9739 PI(34:2)>PI(16:0_18:2)_feature1 PI 16:0_18:2 38022.0875 36028.4261 29437.2937 35466.0787 30754.8712 31631.7854 27706.8087 32613.4917 42585.4002 30550.1397 198.0887 202.9744 203.5015 139.2513 140.1589 146.0800 34934.8666 36361.9146 32578.5818 34253.3856 37163.2720 35740.9181 35234.2835 35006.9572 34097.8544 41624.6345 41985.5232 33109.8600 34535.1510 35180.1976 26827.2834 38678.5137 41011.5505 29411.3105 49046.5070 39690.6413 31812.8098 45214.3887 36322.8037 39968.6888 56514.7822 30476.1486 39719.0991 24459.8368 25159.4283 36257.6514 32984.9189 32246.3236 44759.3282 33485.4116 45760.4106 40418.2799 38361.7236 32575.6351 33586.5353 28493.2393 32565.0348 34883.3215 27004.4195 33905.2796 27695.8240 22178.2844 43015.1605 32788.2988 31386.8627 41352.0746 32054.4284 22914.2110 34563.7182 PI(36:2)>PI(18:0_18:2)_feature2 PI 18:0_18:2 276852.8353 276065.6099 206021.8203 289713.2571 215205.4925 193897.4164 187565.1781 287948.6138 374864.3850 212307.8909 193.5320 201.2935 198.3375 89.4213 94.3810 90.2323 307000.1872 275398.4789 271210.5383 284375.7737 296157.4751 287506.8198 298734.3916 272851.5492 288890.8525 309894.3337 341278.5116 292607.6435 298313.0701 242695.6708 170676.8683 275010.2937 366595.2269 188351.8229 406399.9069 340194.6843 252436.7936 389635.3810 263550.2460 312766.9515 485791.5522 278530.2518 350563.3683 139333.3954 185990.4213 278042.5518 292016.4407 278477.8829 395655.6168 290543.3451 457354.0565 326889.5203 339891.1280 233902.6873 287671.1707 213427.7160 279246.1635 263888.6001 215743.4142 267709.9213 276214.5350 137448.4687 434368.2618 268153.6485 235089.4008 366761.2206 265151.8450 173528.6520 327771.6822 PI(36:4)>PI(16:0_20:4)_feature1 PI 16:0_20:4 279428.2916 263957.4950 183360.1061 274791.7609 224607.6780 271433.7057 215676.8528 298564.0501 347829.6087 278687.6954 167.2379 180.2132 169.0251 147.8709 141.4834 140.7350 263478.7151 257249.4515 262765.7481 266022.8278 267327.7598 251068.2605 262094.6542 260630.2720 265612.6150 274376.4911 294634.6357 254556.5345 266599.4857 230601.7340 183575.7443 259724.5587 282934.2914 186736.6887 387320.2949 277709.1063 234804.9748 339472.6367 275358.0325 295941.2187 393555.4613 209485.4709 258249.5402 162149.6513 206574.9350 332541.3838 278580.0028 235734.6048 356026.6104 235595.9417 327148.7149 277019.2357 278450.4469 225923.9466 257864.7206 199475.5109 267360.9697 293599.1458 213627.2273 222310.0043 200697.7523 166131.5199 311212.5182 234363.5113 212271.0416 325116.1855 241394.2886 174503.1620 259006.5047 PI(38:3)>PI(18:0_20:3)_feature2 PI 18:0_20:3 119498.8861 77452.6760 62380.6287 96299.0031 76469.5678 103491.4164 71252.6048 106946.1124 97151.3319 94575.2511 189.7602 198.2769 205.5123 152.8123 173.8378 162.3985 100362.9774 96655.1916 96761.5105 95766.7808 97932.1735 93548.4491 99112.6282 104471.7089 93307.7390 127704.6423 137142.4086 100352.1867 98204.6232 79167.0605 54513.1863 85398.1698 92885.2103 59736.7245 137979.2843 102470.5827 70265.2079 104106.9638 88698.4144 106221.5216 122388.4662 82286.4861 84957.1371 55306.7877 77909.1479 89531.2239 90502.6356 86827.4478 128955.1095 86729.7637 113109.0338 100132.6677 102726.9804 90360.8693 79225.7453 87332.5491 99670.6663 91520.3999 75617.0805 104455.9429 76555.0667 75871.0652 113424.5177 90019.5999 104607.6932 216968.8248 102850.9057 90454.1985 176602.9172 PI(38:4)>PI(18:0_20:4)_feature3 PI 18:0_20:4 2818634.4860 2254075.3140 1822986.5380 2229432.9970 2061612.8870 2145293.6240 1738131.7630 2261272.2870 3318234.3810 2243727.6960 175.9860 190.7071 189.4865 154.2174 172.5233 157.1847 2374676.4630 2616779.8260 2337485.4800 2414823.6420 2345329.5250 2450024.3090 2415252.5080 2492821.4390 2428777.1540 2713396.9120 2975892.9590 2489568.5640 2634843.0080 2121035.4560 1633588.1970 2271877.6150 2783709.5330 1851851.0200 3345804.6210 2427841.8950 2377730.2800 3436346.6150 2424851.1170 2866171.2370 3410463.6690 2066500.6460 2712560.2810 1549879.4740 2444128.4190 2663030.6830 2337286.3710 2128778.4740 3251470.0130 2731606.0370 3087319.5850 2425205.9950 2562771.0670 2554605.8960 2192829.9760 1896342.8570 2545510.9890 2756707.8010 1918977.5400 2011679.7270 1930741.3310 1482052.7120 2621336.1710 2008219.6530 2428363.3660 3450564.6280 2596381.5680 2199675.2430 2316828.6100 PI(38:5)>PI(18:1_20:4)_feature1 PI 18:1_20:4 91180.9716 89959.9692 64242.7290 80215.4822 63764.1148 79002.3819 64755.8834 82482.8111 97932.5655 73257.8821 202.3271 199.2341 190.0309 140.2619 141.9428 144.7115 78885.5604 81095.1901 81597.5516 80808.9419 84369.8958 77692.8704 80021.4698 82322.5684 79922.6334 82994.5117 85728.0311 72528.7233 74207.0012 79355.8914 61012.7328 88236.6655 99419.8864 69179.1785 107306.9031 84392.4625 69271.5079 101240.2168 82089.1335 109353.5060 132985.5682 83654.7828 88497.8604 55494.3444 58529.4165 90337.4971 89259.8424 67754.7393 104159.5582 78427.5890 113224.5417 86134.3979 93227.0031 73120.9460 73580.3274 57184.8998 76238.7906 80163.3139 56540.5183 68629.8971 63332.7071 48020.6039 94811.8293 76683.6971 67295.7238 88501.4677 72613.4293 49655.7677 73214.3641 PI(38:6)>PI(16:0_22:6)_feature1 PI 16:0_22:6 24280.9554 20198.3233 13030.6816 20903.2100 17380.6233 23236.2356 17382.0049 23797.4895 29584.0384 22721.6453 167.5421 158.5169 159.1575 123.1971 122.8530 122.9226 24061.2264 21731.1794 22311.6346 22719.2668 22267.5573 23238.3282 21338.1162 23694.3348 22923.0222 23531.7534 25742.6201 26438.3670 24865.2170 21033.9103 13174.2235 18972.6677 23774.3861 17084.5687 38063.5462 27603.9452 19162.8350 31477.6195 23388.4175 24382.5884 34859.8738 15934.4506 20821.6798 12464.4038 16150.8261 30796.1815 28002.9054 21674.8418 32206.6696 20206.2393 27494.8860 20910.7567 26470.0547 18515.8568 25060.3156 18829.5516 23157.5187 28879.5034 18979.3355 18953.0694 16607.8330 12255.3652 25071.9653 20402.5482 18488.9168 28525.2215 18322.4554 13484.8617 22887.1750 PS(34:0)>PS(16:0_18:0) M - H + Na_feature1 PS 16:0_18:0 40323.9931 46547.7144 45825.9407 51622.8105 42156.2394 34088.9145 37994.4550 40371.9211 39915.7738 35889.3016 197.5546 198.4531 198.9762 164.3496 175.6605 168.1710 38740.0222 36926.4902 42002.4502 37371.0647 40114.9042 39667.9532 38935.3469 39820.7416 37423.7243 31951.2918 31232.8857 29065.2975 30131.6283 44466.3632 43947.5903 47014.8962 45073.7667 42600.5745 40181.4486 33437.8353 38333.8929 35667.5183 40691.2065 45835.4877 39216.0028 48269.4621 43507.5381 42857.7592 32315.8569 33019.1850 33971.4651 39156.3277 36510.1314 38379.4399 47149.2116 43999.8253 42604.7394 41923.3450 33871.2134 29635.8668 32157.0818 36554.3997 32308.6462 44117.6587 44868.9689 30298.1972 42011.1968 43035.6948 32563.3694 29498.3224 36969.8363 28445.6222 28274.5309 PS(34:1)>PS(16:0_18:1)_feature1 PS 16:0_18:1 109013.3809 136930.2438 113489.0358 156456.9145 112784.4185 90566.9375 100404.5533 121665.8124 127158.2976 102289.9765 188.3649 204.4441 203.4560 183.3946 205.4688 187.4788 117603.7301 108432.5754 114004.9594 130334.2818 98741.0535 132032.1589 114103.1028 111082.4491 113993.7731 98232.4752 115844.2427 89340.7443 77136.7010 112237.9941 112452.2900 132162.6973 141398.8340 104138.2275 137154.1538 108439.3093 102969.0068 112066.5582 131056.8448 164768.7424 164048.2705 128473.9871 131886.9656 89407.8004 94709.6854 111172.8882 113138.6414 126580.6527 125556.5924 138232.0853 149617.0122 138027.9891 129825.9119 118241.9683 115120.6529 96177.9574 92937.4303 106444.0436 81937.1634 85431.5033 112312.4614 89939.4534 140251.0400 112252.4116 94270.2207 136706.0802 104430.1111 78591.3850 108179.0291 PS(36:1)>PS(18:0_18:1)_feature1 PS 18:0_18:1 566418.1363 686552.5749 510299.6146 643260.4340 544273.6279 476796.6359 508295.9370 587913.7706 759211.3897 468301.6410 215.3016 249.3333 228.7447 202.5013 225.1468 218.3611 595683.8104 618616.9180 589166.5582 602727.7662 603158.1369 606083.2622 592434.4879 630337.0420 584397.8061 546254.2670 570034.1297 489629.7878 509911.8910 604100.5902 507938.6409 653291.2975 720595.6132 528163.2477 694313.4293 558345.6616 451346.4758 627032.1230 547518.3573 758078.8236 748232.8043 621284.5612 787613.6181 475155.2999 479152.2150 518234.5122 526753.2280 554367.3998 654361.3950 655347.8431 803919.6201 652873.3018 681058.8374 562369.9569 538480.0737 478479.2125 561853.8228 560302.0918 471814.7313 512118.8119 605465.3102 456147.8616 704574.0360 569237.0059 484003.5848 637592.4957 618499.3661 461027.7698 528730.6119 PS(36:2)>PS(18:0_18:2)_feature4 PS 18:0_18:2 260002.9003 296928.7594 223550.8894 288579.2089 243395.1080 220475.7081 213223.0930 251918.5776 314947.3065 216226.1471 214.0879 242.1919 211.2093 205.6760 197.7573 201.2640 269234.0190 273736.0807 281341.8665 279183.6280 280334.7752 277983.6448 277941.7461 278863.7549 266453.0491 257014.6839 271956.1717 223560.6358 239163.3466 284582.9248 243195.5668 295192.4469 325960.8749 232983.7845 357163.3742 282249.1751 224573.9038 313228.9566 249294.1086 317880.3737 377486.7409 267395.5083 284061.3447 193588.3295 234220.0399 235166.0909 271151.2096 244753.6569 320175.4392 284703.1304 369447.3057 311879.6025 330401.6142 276614.4553 278524.4511 262945.6247 274941.0548 266682.1004 234977.4218 252409.6150 266016.1149 227046.4715 366805.0098 283922.4370 246140.9280 353926.3238 275922.1739 228034.4967 310716.7062 PS(36:2)>PS(18:1_18:1)_feature3 PS 18:1/18:1 32707.3620 52621.3985 32755.6809 46881.4687 34998.7455 24794.3964 29093.1062 38588.6373 51475.0309 29112.0514 194.2613 198.7404 206.3235 157.0305 164.2439 157.8332 36852.4337 35669.3790 37504.1009 39346.9077 41279.8101 38440.0485 42991.2539 40795.9583 29424.5046 32698.0855 37914.2156 25600.4813 23197.8747 40612.7196 34406.0517 45867.3755 51073.2003 35134.2943 51331.8017 35566.8343 33695.4877 31986.6077 41878.4809 37445.0475 52062.0437 43308.0596 47764.8748 24561.2857 29164.2510 31148.2241 37623.0054 40350.9285 52000.3103 42565.0354 28907.8918 50982.6725 51721.0038 35284.2288 33185.0242 31058.6571 36479.6829 25566.2279 20763.6572 26687.1125 29326.1996 25093.2732 54030.4104 27829.6838 29541.7109 41426.0676 38110.7099 25700.4991 31453.8271 PS(36:4)>PS(16:0_20:4)_feature1 PS 16:0_20:4 570123.5212 574824.7592 436322.6138 599520.7889 473636.3204 434433.7870 437353.9150 537561.2295 594140.3442 484023.7962 194.9561 190.6671 191.7293 157.4976 159.6809 163.0965 515625.1241 514123.5878 510670.3944 527863.8678 509751.1119 514829.0559 516558.9063 523901.3966 507949.9213 504640.3322 525121.3166 490145.4596 507415.4509 604990.5064 464068.4278 563617.8526 613114.8019 414143.2616 713259.8458 517602.5054 396989.1822 612773.2936 529717.0146 625544.2266 790466.4153 571323.1108 543329.8386 375259.8523 341422.4118 548965.3074 489000.7764 425582.3396 580478.5305 568645.7352 761602.5650 540872.7655 642766.1706 506313.7309 472035.5626 360890.7542 442996.1227 511311.2790 418521.9581 514529.7703 455210.7197 402495.2262 651703.6867 527157.0982 369948.0264 508439.8738 437419.3429 325969.5403 467324.2779 PS(38:3)>PS(18:0_20:3)_feature3 PS 18:0_20:3 64566.4373 68876.2998 54275.5933 70925.5848 51654.1166 46975.1381 47379.9039 48378.8669 60991.8459 48620.2880 221.4689 288.5198 269.0243 189.3435 247.3821 282.6607 57269.6671 53817.8971 59761.4978 57530.4241 60092.4641 53474.1011 58975.4187 56556.1030 56421.0714 52880.3156 57620.9516 50791.5813 46751.0422 61421.3750 49316.3174 65652.1220 64373.6017 46579.6050 67282.5026 47754.9606 40985.1932 55665.8189 45621.3968 71457.7622 80275.3828 50435.7760 61194.8682 41232.1938 37016.1843 43936.7891 44017.8424 44778.6408 56657.5183 60219.2384 85355.4109 72746.0768 70196.0993 63856.9386 48285.5425 37586.2703 47802.6319 48351.8394 45808.9870 73424.8758 59788.5431 61322.0107 81161.9989 63824.4920 45929.4910 79961.4276 54975.3679 43878.8034 67186.7706 PS(38:4)>PS(18:0_20:4)_feature6 PS 18:0_20:4 106960.0233 110136.9320 149498.5764 153662.0944 149782.6216 100226.6937 139243.4054 143953.7238 157720.4254 88287.2972 244.0476 232.4645 268.6884 195.0466 199.6664 192.9962 103998.4573 152969.3543 156632.4784 155163.7355 162438.3540 158662.3329 111440.2105 117128.6942 160746.5148 152293.0114 143561.9015 140683.8144 153615.1683 165096.1384 134565.8101 148284.4782 152642.5056 139368.0492 160199.5892 158246.4884 150427.4359 164850.8344 143965.8439 153355.1815 161935.2697 158021.9836 94554.7109 116219.5934 131898.7377 139728.6239 146495.2167 152611.4373 166254.6946 156081.7191 165641.3258 164405.3961 173469.3678 146553.4738 170548.1664 180351.4693 151456.9585 115350.8998 162470.9520 176200.1587 105227.4210 150687.0773 137877.0946 174122.4374 166897.6321 124926.9733 176209.4282 109878.0021 196023.8936 PS(38:5)>PS(18:1_20:4)_feature1 PS 18:1_20:4 86856.2118 90167.8418 63628.5633 88675.5106 64925.5767 61260.6427 62237.2174 74904.3586 85479.0602 61984.2572 188.8117 194.0166 198.2772 159.7669 164.6075 163.1494 76705.0998 70723.1337 76890.4129 75184.6268 73069.1749 76432.1025 74122.5912 77721.2557 72132.7380 76612.6336 77945.8410 67225.6665 72203.2685 82424.7692 74768.3104 83714.7804 92226.1083 62458.0225 101184.9662 76036.7558 61197.4951 85952.6113 77589.0698 99399.5835 122090.1903 88338.3303 82544.7346 55903.7929 53481.5007 72391.7435 78908.3519 65414.1716 88319.4492 75436.0424 115123.8767 86155.8057 96609.7215 68072.5599 67382.8430 52678.8674 71052.7602 68377.2133 57004.5778 70911.8588 73929.8287 55797.6191 93497.5045 73276.0916 57154.0619 79933.7772 64546.8734 48636.7781 65012.1404 PS(38:6)>PS(16:0_22:6)_feature1 PS 16:0_22:6 25047.1316 22707.1374 17855.6855 23356.0553 21866.7313 14416.3656 13193.8996 16974.4239 20652.2895 15141.8577 161.9504 173.0323 171.6183 137.0584 139.6204 146.0021 20616.0497 21688.8087 22004.4664 21780.5225 21565.2351 20969.7391 20803.0525 21355.6525 21857.7515 16721.6139 18849.0488 16366.7979 19552.8547 29396.8272 17687.1879 21566.0362 33122.8321 24024.6074 26964.6605 21033.4009 13473.9842 21330.2814 19353.3693 38252.3751 35578.8384 30628.2352 26008.8266 14002.4104 13896.8794 21139.0525 17554.0276 16044.7076 22455.0017 29006.9376 33339.0520 22092.3023 29817.2595 18525.3936 19318.0548 13668.4589 17390.9480 22039.7065 14929.3284 21399.5834 21760.2388 14172.0080 32959.5803 23951.5322 13870.2537 19267.9977 16323.1538 9857.4351 16748.7432 PS(40:4)>PS(18:0_22:4)_feature1 PS 18:0_22:4 136244.3052 146932.8640 105413.8524 147068.9776 124398.5068 141012.9203 131747.0639 160517.7076 210707.5892 128574.6577 197.0021 203.5374 200.6531 195.8053 195.5181 187.7042 151891.4409 139033.5304 149667.2629 149756.3535 147192.3569 142980.1463 142498.7512 146795.6142 152088.0316 137879.5091 141081.6746 135678.9530 135353.8308 146079.5058 116194.5098 156406.2927 174951.5644 128015.3468 203372.7761 163007.4503 138678.5503 177262.4574 164880.9409 176657.4554 220643.4590 153970.3243 184065.1476 111418.7451 140076.6466 149967.6215 149754.8515 148059.5694 196249.9957 147552.6220 197908.3896 152523.2920 148346.5384 126355.6444 143469.9236 106053.7838 127279.7058 141583.0911 122028.3530 105434.0608 123605.3476 102683.4383 169814.7767 131558.5294 117469.2519 164296.7331 159227.2578 114577.6980 135245.0915 PS(40:5)>PS(18:0_22:5)_feature2 PS 18:0_22:5 66398.8736 79313.6540 55675.2755 79424.1320 60194.7622 59812.1629 61479.0068 83578.7618 121778.8303 67781.7087 193.9480 203.7310 202.6906 133.0026 140.8392 135.0840 71488.9933 70124.0621 68919.4088 70892.8665 73027.2254 68987.6053 69194.5793 68876.6641 72930.4067 65916.8779 70745.3832 64367.1008 67996.0154 59320.5597 52166.8237 62015.9679 75413.2210 45134.3571 105411.2997 75066.2522 66578.2735 97550.7314 77272.8589 71846.1577 98014.3352 54714.3909 69084.5664 35987.5477 50275.5204 65757.7369 71552.0364 65452.5361 87385.8226 74024.2695 108132.3386 72056.5328 92903.3459 60060.9425 83551.0687 72111.2936 81155.5783 82013.5683 68369.9956 65289.3112 66090.3753 40703.9494 94941.8708 69950.8679 50852.8573 68509.9944 65075.4268 38628.2009 73363.2010 PS(40:6)>PS(18:0_22:6)_feature2 PS 18:0_22:6 25709.2925 31725.6030 29002.0495 33813.8729 34141.0419 17717.8037 23140.5644 27636.5629 26471.8532 23011.4407 204.3685 195.0900 193.7110 188.4516 177.8231 164.1347 29253.4909 28593.7040 28557.3149 28626.4534 27507.4463 28539.8259 29173.5009 29323.3104 28353.8176 20982.9492 21930.4208 15981.5255 17397.0635 32938.7656 22442.9051 29326.7184 30324.3264 26505.1153 27886.7400 21982.1780 27369.5146 30837.7903 30700.3080 33786.4757 42169.2507 31141.4413 34955.6093 24449.1338 19322.3252 27661.8815 24129.1710 26340.3551 32367.6664 36922.6983 44353.1417 27204.4164 37977.4783 29886.1603 28145.6054 30919.9860 27377.4895 29958.0499 26360.1331 31440.2187 29139.5541 26556.8622 34311.4618 36249.2020 20609.8123 24882.8438 25614.2638 24026.2528 26015.7692 PS(40:8)>PS(20:4/20:4)_feature2 PS 20:4/20:4 52931.2842 62663.7952 55444.5364 62062.8129 56366.4811 43452.6396 53803.0453 58063.2890 69804.2401 51252.2804 202.8549 201.0305 211.4560 139.7704 143.6627 142.0533 55673.9336 55803.4426 56656.9102 58855.3283 59873.4738 57995.4113 55349.6789 56614.0794 56350.3021 53844.9817 57221.2110 50707.2258 56383.7197 55704.7504 53024.8889 57917.2557 64580.7535 53515.1580 70909.0579 55512.1862 62158.4376 72222.8805 59367.3093 61592.2117 69281.9380 55043.4181 57302.1436 46487.2132 44512.0703 51938.3693 57205.1155 61299.3174 60955.9965 54644.2485 71198.8540 61214.9847 62348.3164 55809.4823 58490.3234 63759.7536 52329.8823 59811.8083 57131.4905 58954.5024 61782.4046 45061.6107 67782.4020 60381.1383 51696.9734 56329.5293 59803.6983 43552.8502 58400.3050 PS(O-40:7)>PS(O-18:3/22:4)_feature1 PS O-18:3/22:4 32789.5727 36918.6974 28770.7047 42325.5419 34785.7403 36018.3043 35614.7290 35681.4045 39352.9839 31517.6776 244.7743 246.4455 269.4642 193.5298 198.0768 191.4243 29425.5191 36183.5647 28854.1193 37208.1791 35093.2644 33063.2118 31579.3289 33091.2338 31848.3417 24393.1262 25575.0803 20992.2753 23218.6451 36173.7317 33954.8175 28400.5901 33569.7349 35612.7547 36825.8473 31183.1519 30671.6034 36791.8083 32155.2969 42389.9675 43560.2452 44143.4396 40828.8351 30606.7785 37970.6641 23415.1972 37185.0805 32495.9300 30044.2207 37922.1795 43210.2453 32514.3784 27597.5365 23744.9190 32956.8123 20657.1798 28225.4224 36093.3798 28664.5927 28722.9699 30689.8256 23441.0818 39260.2891 30606.7585 27656.0271 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31301.1811 30929.9340 35280.5862 40206.1448 47097.2781 33820.4714 172.9565 200.9549 208.6261 142.2565 174.6129 200.7112 30614.8946 34390.5911 36118.4337 37554.1755 36328.1989 35422.8957 35263.3140 32378.1888 33238.2464 30315.2582 31976.9687 31117.2018 32817.0128 34914.7695 27359.5186 34315.6449 38325.0712 32263.4409 41596.0616 33380.1307 37430.7215 43511.1098 36646.4762 36747.4888 43227.2310 38008.5856 43873.2857 31305.1638 34091.4193 34754.4633 35839.1553 39214.0936 41025.3768 34930.1938 41144.8567 29466.7721 34230.3624 33080.8993 32409.7404 27787.4496 31993.5123 33995.2090 31473.4286 29224.7957 35600.2018 27060.4027 36677.3862 33805.7189 32211.8742 39043.0237 38094.7238 35336.0758 37255.1039 SM(d34:0)_M+H2CO2_feature1 SM 34:0;O2 199575.0172 202903.2994 167108.7272 213163.0787 180915.1920 142965.8576 188139.4561 217428.7332 207695.0918 165527.0364 194.8450 181.0357 179.2755 167.0009 167.7344 154.8057 198081.1039 192994.8601 196438.8741 203406.0022 192210.8293 191270.8032 206795.3122 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136550.9486 191904.8213 183844.1079 103866.8737 179693.1550 166606.6603 124005.1332 160183.4424 Sulfatide(d41:1)_feature1 SHexCer 41:1;O2 14524.2069 29910.8955 17618.7631 31106.7674 12732.7470 11727.2102 15328.8728 23924.0549 26280.1049 13925.4915 142.7785 165.0571 171.6468 128.6104 156.2997 152.7837 20607.2572 22247.3622 21167.6400 21497.5053 21938.4852 21988.4048 21915.9967 20619.3811 21269.2266 16825.3647 15270.9969 6431.7123 5582.2330 21290.1061 24148.7337 26901.9387 27102.9185 26510.0977 20494.9344 20112.0826 26154.8527 29870.9232 20740.9653 32168.0628 31307.6609 27606.5423 22746.5760 22219.9133 19533.1271 14364.3619 18473.6347 25783.7988 23184.1782 24185.1326 23148.0828 29249.7971 20541.0280 22971.3572 16756.2379 13987.7705 17750.6977 13892.8414 10925.5969 18744.7590 31051.9885 19065.1568 24328.7639 20204.9174 13201.7639 22879.8812 23914.7495 21358.6065 14439.2395 Sulfatide(d41:1-OH)_feature1 SHexCer 41:1;O3 142940.5791 291408.4610 213226.7179 327807.6482 137088.9990 113924.1230 142719.3513 219453.9398 187425.6993 131543.9998 161.4725 138.3959 149.3437 139.0266 141.2764 139.1475 233571.6022 231175.3325 236664.7542 234840.8574 237126.0506 229669.6461 228949.3190 239687.8029 232966.0203 326746.7150 303098.0450 195842.5368 199657.5940 266124.7335 307609.6303 310483.3173 284519.3378 230069.7783 299716.2629 228046.7781 285496.3724 244649.5285 222842.9179 314162.4566 296856.4820 319520.0826 264447.3419 235206.9939 141574.3971 188435.5052 196521.2434 281005.4486 221764.2730 297924.9819 263405.6321 255649.2703 266821.2190 246781.0929 157635.8102 145856.8322 150457.0020 153787.7491 154815.5540 193224.6670 260660.7923 153141.1344 215539.2786 213523.8184 117894.7265 184366.0077 193923.1704 127526.8557 189181.7733 Sulfatide(d42:1)_feature2 SHexCer 42:1;O2 27128.4010 65887.8370 45674.9521 46559.3072 35209.2293 24824.0890 28749.6839 46818.8815 68848.2698 25374.9290 126.4262 152.5819 161.3014 126.9334 143.2544 145.9252 45610.9670 44772.5490 47611.5686 48317.5290 43058.8933 43939.2276 44181.6698 47313.4157 47040.7284 25608.5577 28899.4847 8102.4362 7200.6084 43141.2225 44576.4074 39802.0274 51593.0179 54120.2142 37411.1040 43085.3608 42976.7471 55990.6790 38182.5197 56596.7670 44141.9475 50493.6891 54886.3150 44536.3824 66726.5762 30582.2557 38690.9266 58257.6055 45331.1204 52183.9246 50384.7976 73943.6557 43032.7526 79250.1305 51687.9354 22920.6067 37952.7822 30334.2830 32989.8987 28534.8529 69420.1128 56453.4844 55557.4837 44742.0241 28589.2434 55851.1990 56477.0890 75152.0756 25578.0200 Sulfatide(d42:1-OH)_feature1 SHexCer 42:1;O3 185078.2401 422811.3359 314897.6768 512797.4292 204034.0527 150944.3229 179269.1683 262592.4989 245550.9827 171964.8289 93.9145 121.0546 107.9329 105.6385 116.1307 127.9273 303926.1871 326550.7939 332376.8580 326741.9968 326396.3467 318494.2839 315056.3793 319059.0577 321154.9896 405913.5457 404840.4221 241080.5261 258841.9962 343963.0795 386799.1966 432169.4998 382367.5776 316299.0530 370015.4213 259345.0777 379635.7292 287597.3948 263423.5790 463519.9704 383449.9999 391298.2976 377664.7477 338424.9310 203733.7642 216638.2962 219056.7331 367783.4520 268847.9397 426519.1381 337580.8850 403192.0373 405295.6920 377275.8564 195119.5121 200267.3720 174640.8497 216372.4790 209021.3953 278653.0202 398419.4357 262171.9363 319896.3659 304391.1096 188176.7382 296151.1680 272095.9103 174943.7568 261006.2601 Sulfatide(d42:2-OH)_feature1 SHexCer 42:2;O3 26603.3563 37386.7624 28297.1626 45797.5717 21286.4155 16393.0009 22261.0996 31182.6071 35223.9774 22601.3997 207.1360 195.8553 202.0718 177.5237 187.7709 181.8894 35208.3769 33202.5000 34351.1606 31423.3626 33266.5853 32565.0665 33537.3714 34126.3367 34646.1809 42911.0294 43613.1066 24295.2448 25381.3820 34523.7066 33159.7593 42447.0229 38907.1389 31703.0783 45033.4016 31982.9644 39451.2039 41733.7300 35679.7664 45450.4405 46801.8653 42425.5035 36699.5752 30459.1514 27635.9543 26888.4618 31661.3160 40157.8542 39720.8260 41795.0967 39617.6675 38672.7047 34844.8685 30236.9547 26141.5361 27998.0550 33641.2855 26656.6931 21638.5192 24418.2081 36648.2473 20818.2194 32160.7100 31626.1191 25270.7212 36229.8642 35211.9344 23596.6679 27924.2077 Sulfatide(d44:1)_feature1 SHexCer 44:1;O2 19061.7131 55823.9163 44463.8773 29036.7938 32837.2369 20916.3674 19384.3293 30875.4069 60954.7834 14972.3271 113.8002 145.6525 128.2944 126.7633 135.3660 140.2648 39965.9402 38023.8080 39930.5745 38607.2152 37288.0663 38830.1516 37824.7101 40401.9631 39430.2975 13010.9583 13968.3812 925.2695 1334.4001 26819.4196 24310.3619 18467.2960 46270.6972 40519.8540 27467.4100 37944.3185 21041.3080 45098.2097 25038.8649 29285.3363 28861.5092 36575.7283 48960.7575 31093.3512 68689.6158 23827.7223 33621.8408 48974.2559 46449.5103 43616.1383 47087.0902 62616.5630 44736.3780 78321.2833 50106.7778 13842.5928 38276.0089 25334.7427 38049.1499 18471.2279 66659.8535 51348.7048 57049.3696 31656.3102 22507.6175 48741.9458 42708.1762 92982.3978 13417.6284