Metabolite_name RefMet_name old_1 old_11 old_13 old_5 old_7 young_10 young_12 young_7 old_10 old_12 old_2 old_4 old_8 old_9 young_1 young_11 young_2 young_3 young_4 young_5 young_6 young_8 young_9 Factors - Sample source:Heart | Sex:F | Age group:old Sample source:Heart | Sex:F | Age group:old Sample source:Heart | Sex:F | Age group:old Sample source:Heart | Sex:F | Age group:old Sample source:Heart | Sex:F | Age group:old Sample source:Heart | Sex:F | Age group:young Sample source:Heart | Sex:F | Age group:young Sample source:Heart | Sex:F | Age group:young Sample source:Heart | Sex:M | Age group:old Sample source:Heart | Sex:M | Age group:old Sample source:Heart | Sex:M | Age group:old Sample source:Heart | Sex:M | Age group:old Sample source:Heart | Sex:M | Age group:old Sample source:Heart | Sex:M | Age group:old Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:M | Age group:young Sample source:Heart | Sex:M | Age group:young AcCa(10:0)+H CAR 10:0 1.5937 0.2698 0.3944 0.2622 0.1513 7.2903 0.3299 8.3975 0.4782 2.6812 0.3945 0.5676 0.2004 0.4183 0.3625 0.6456 1.2536 0.5891 0.7367 4.5235 0.0069 0.1251 0.2317 AcCa(10:1)+H CAR 10:1 0.0485 0.0548 0.0549 0.0360 0.0254 0.2428 0.0752 0.2135 0.0369 0.1386 0.0636 0.0741 0.0088 0.0718 0.0257 0.1041 0.0691 0.0178 0.0598 0.1391 0.0099 0.0242 0.0649 AcCa(12:0)+H CAR 12:0 1.0375 0.7211 0.4685 0.4213 0.2361 3.9511 0.3979 3.4073 0.6693 1.4158 0.6165 0.7002 0.2545 0.8052 0.3633 0.9036 0.8009 0.3799 0.7495 2.2112 0.0191 0.1429 0.4474 AcCa(12:1)+H CAR 12:1 0.2005 0.2003 0.0904 0.1042 0.0368 0.2628 0.1596 0.0297 0.0902 0.1130 0.1739 0.4049 0.0205 0.3039 0.0746 0.1022 0.1133 0.0206 0.1883 0.0903 0.0271 0.0426 0.1376 AcCa(13:0)+H CAR 13:0 0.1200 0.3295 0.1680 0.0640 0.0329 0.3989 0.1313 0.1131 0.2029 0.0762 0.0636 0.1206 0.0682 0.1820 0.1216 0.2017 0.0678 0.0185 0.1071 0.0743 0.0483 0.0246 0.1303 AcCa(14:0)+H CAR 14:0 6.1008 3.5416 1.7307 2.6978 0.7186 4.9369 2.6397 2.3956 7.1321 4.1558 2.4691 3.8985 0.8128 4.8400 3.1751 3.9244 3.2652 1.0713 2.6254 4.4559 0.5456 0.6188 2.8183 AcCa(14:2)+H CAR 14:2 0.1699 0.1894 0.0733 0.1104 0.0522 0.0388 0.0807 0.0073 0.1373 0.0935 0.0815 0.3564 0.0093 0.3257 0.0204 0.0752 0.0441 0.0298 0.0413 0.0879 0.0015 0.0227 0.1181 AcCa(16:0)+H CAR 16:0 40.4674 7.4189 9.1134 7.6064 2.0167 9.9728 6.0878 0.8443 21.2372 19.6236 7.9042 9.5465 3.7162 16.5471 10.0047 7.4000 9.7198 6.6652 3.7494 16.8489 2.4111 2.2094 8.8106 AcCa(16:1)+H CAR 16:1 17.1574 4.8855 2.0452 3.9852 0.6274 4.5179 3.5111 0.1535 8.5253 5.7829 5.3207 7.5956 0.6635 8.3706 2.8888 3.5532 5.1552 2.1284 1.7811 7.0575 0.9129 0.8631 3.9335 AcCa(17:0)+H CAR 17:0 0.8833 0.8427 0.9837 0.2330 0.0728 0.6818 0.3766 0.0512 1.5416 0.4092 0.5733 0.5340 0.2976 0.3351 0.3639 0.3917 0.6332 0.1962 0.2995 0.7252 0.0814 0.1195 1.1998 AcCa(18:0)+H CAR 18:0 13.6584 4.8964 8.0386 3.1020 1.1788 3.4847 1.6931 0.1348 5.0934 2.5170 2.6168 2.7117 2.4160 6.8893 8.7080 8.1413 2.3031 3.7964 3.4975 3.9392 2.5393 1.7382 5.7920 AcCa(18:1)+H CAR 18:1 88.6942 11.0466 10.6175 9.5413 1.9902 11.4137 7.9136 0.4713 22.1234 9.4746 9.0007 15.5250 3.5396 26.4041 8.9833 6.3175 13.6949 10.2458 3.7874 22.5823 3.4997 2.2555 12.3824 AcCa(18:2)+H CAR 18:2 8.9654 2.8106 3.4708 1.5672 1.0763 2.1301 2.0184 0.1732 4.8520 3.2813 1.7768 5.9068 0.6075 3.7376 0.7196 1.0347 2.6326 1.4843 0.9178 5.3321 0.8633 0.3733 2.5651 AcCa(18:3)+H CAR 18:3 0.7058 0.2267 0.1219 0.1005 0.0662 0.2459 0.2051 0.0137 0.4943 0.3023 0.1894 0.3929 0.0612 0.2492 0.0222 0.0342 0.2202 0.1055 0.0375 0.2705 0.0340 0.0238 0.2147 AcCa(19:0)+H CAR 19:0 0.5014 0.8669 1.0089 0.2013 0.0823 0.5396 0.2166 0.0203 0.9265 0.2545 0.4505 0.3584 0.2928 0.1224 0.8883 0.9708 0.3722 0.2144 0.5252 0.4101 0.1618 0.2015 1.1000 AcCa(19:1)+H CAR 19:1 1.2323 1.4043 1.2793 0.2244 0.0471 0.8103 0.3710 0.0320 1.6721 0.3891 0.6714 0.7259 0.2343 0.1847 0.3018 0.3139 0.7650 0.1836 0.3116 0.8159 0.0725 0.1222 1.7581 AcCa(20:0)+H CAR 20:0 0.1306 0.0846 0.7202 0.1790 0.1548 0.0745 0.0246 0.0031 0.0747 0.0771 0.0199 0.0328 0.0791 0.1758 1.7386 1.3305 0.0215 0.1224 0.4676 0.0401 0.0452 0.1910 0.1766 AcCa(20:1)+H CAR 20:1 9.1951 1.1689 6.4718 2.6183 0.4709 2.1186 0.6386 0.0378 2.6544 1.4268 0.4438 0.8300 1.0950 3.4869 9.5972 6.1580 1.2954 2.4639 1.9920 2.2233 1.5256 1.0755 2.4013 AcCa(20:2)+H CAR 20:2 2.2759 0.2932 2.4170 0.7023 0.2807 0.7732 0.3325 0.0263 1.2685 0.9315 0.1707 0.5722 0.2903 1.0952 0.8329 1.1004 0.5791 0.7979 0.4334 1.2184 0.1713 0.3194 0.6885 AcCa(20:4)+H CAR 20:4 0.2520 0.4202 0.0848 0.1662 0.0760 0.0471 0.1160 0.0073 0.1170 0.0770 0.1559 0.3962 0.0198 0.2416 0.0284 0.0575 0.0411 0.1026 0.1038 0.0819 1.4324 0.0121 0.0828 AcCa(21:0)+H CAR 21:0 0.0121 0.0215 0.1853 0.0191 0.0219 0.0287 0.0072 0.0310 0.0154 0.0076 0.0090 0.0251 0.0021 0.3102 0.3154 0.0072 0.0174 0.1283 0.0094 0.0068 0.0397 0.0816 AcCa(21:1)+H CAR 21:1 0.2778 0.2672 1.1980 0.1346 0.0202 0.3407 0.0904 0.0036 0.4866 0.1375 0.0872 0.1114 0.1550 0.0405 0.7856 0.7234 0.1932 0.1007 0.3047 0.2129 0.0623 0.1308 0.6814 AcCa(22:1)+H CAR 22:1 0.1277 0.0431 0.8221 0.1919 0.1596 0.0627 0.0129 0.0514 0.0552 0.0087 0.0152 0.0577 0.1006 2.6840 1.3435 0.0196 0.1036 0.3960 0.0362 0.0625 0.1381 0.1035 AcCa(22:2)+H CAR 22:2 0.1159 0.0212 1.4498 0.1352 0.1349 0.0622 0.0154 0.0008 0.0782 0.0882 0.0015 0.0252 0.0540 0.0900 0.6492 0.7495 0.0210 0.1241 0.2128 0.0605 0.0822 0.1183 0.1136 AcCa(22:4)+H CAR 22:4 0.2501 0.0506 0.0447 0.0170 0.0118 0.0774 0.0270 0.0017 0.0811 0.0162 0.0226 0.0431 0.0124 0.1031 0.0085 0.0288 0.0271 0.1875 0.0148 0.0890 0.0308 0.0142 0.0405 AcCa(6:0)+H CAR 6:0 0.6699 0.2601 2.1527 2.6977 0.5323 12.4062 2.0593 3.9368 2.3238 2.0244 0.3514 1.4706 0.1743 1.2150 3.4455 8.1789 3.9401 0.5706 3.5199 1.7810 0.0293 0.4592 2.5313 AcCa(8:0)+H CAR 8:0 2.8128 0.1658 0.9224 0.4668 0.1950 20.7537 0.3591 25.2790 0.7076 9.2845 0.2309 0.4154 0.3803 0.3709 0.6658 1.6522 4.0295 1.2039 1.6713 9.6847 0.0160 0.1643 0.3961 AcCa(9:0)+H CAR 9:0 0.0467 0.0313 0.1212 0.0452 0.0230 0.2830 0.0552 0.1221 0.1755 0.0492 0.0279 0.0255 0.0061 0.0778 0.0555 0.1971 0.0719 0.0276 0.1029 0.0472 0.0162 0.0177 0.0488 Cer(d18:1_12:0)+HCOO Cer 18:1;O2/12:0 0.2345 0.0899 0.0561 1.5429 0.3980 0.9370 0.4713 0.2570 0.2863 0.2152 0.1971 0.7600 0.0860 1.1829 0.1933 0.5870 0.5191 0.2715 0.1530 0.5468 1.1664 0.1199 0.1797 Cer(d18:1_16:0)+HCOO Cer 18:1;O2/16:0 1.1185 0.7899 0.9813 0.6232 0.8634 1.4165 1.1071 0.9533 0.8757 1.1043 0.9800 1.5571 1.0683 2.0621 0.9017 0.9655 0.9330 0.4838 0.8616 1.5085 19.6284 0.6025 0.8231 Cer(d18:1_18:0)+HCOO Cer 18:1;O2/18:0 1.0595 1.1390 3.5544 0.3798 0.5284 0.4557 1.1822 0.6592 1.0041 1.2497 0.6548 0.9812 1.5616 0.8166 1.1882 0.7383 0.4364 0.2240 0.9539 0.4509 6.9767 0.4306 2.3142 Cer(d18:1_22:0)+HCOO Cer 18:1;O2/22:0 0.1081 0.5478 1.3707 0.5310 0.1465 0.1118 0.1744 0.3334 0.1955 0.2282 0.1257 0.3067 0.8512 0.5405 0.3863 0.2606 0.0885 0.0843 0.2277 0.1268 0.5423 0.1263 0.8746 Cer(d18:1_23:0)+HCOO Cer 18:1;O2/23:0 0.0802 0.2851 0.4650 0.4633 0.0907 0.0892 0.0803 0.1737 0.1055 0.1198 0.0783 0.1343 0.5628 0.5281 0.1330 0.1312 0.0697 0.0864 0.1601 0.1675 0.2664 0.0629 0.3633 Cer(d18:1_24:0)+HCOO Cer 18:1;O2/24:0 0.1233 0.7256 1.1421 0.8807 0.1565 0.1692 0.1589 0.3773 0.2291 0.2646 0.1696 0.3277 1.1094 0.7750 0.4962 0.3480 0.1187 0.0798 0.3295 0.1653 0.2734 0.1219 0.8207 Cer(d18:1_24:1)+HCOO Cer 18:1;O2/24:1 0.7883 2.3521 3.2095 1.0012 0.7351 0.4957 0.7584 1.1332 0.8611 1.9554 0.6843 0.9770 4.7547 1.1689 1.8339 0.9050 0.5133 0.5003 0.6196 0.7723 3.0022 0.3308 3.5121 Cer(d18:2_18:0)+HCOO Cer 18:2;O2/18:0 1.4972 0.5131 0.6706 0.2985 0.7263 0.5313 1.2509 0.4977 1.5177 1.3340 0.5962 1.5083 0.8315 1.6309 0.5117 0.3071 0.7728 0.3276 0.4780 0.6749 19.4798 0.3134 0.7575 Cer(d18:2_22:0)+HCOO Cer 18:2;O2/22:0 0.2199 0.6578 0.8518 0.2240 0.3130 0.1200 0.3167 0.2485 0.2663 0.4464 0.1681 0.4471 1.3460 0.3083 0.6031 0.1989 0.2338 0.2075 0.1754 0.2333 0.9220 0.1006 0.9217 Cer(d18:2_23:0)+HCOO Cer 18:2;O2/23:0 0.0620 0.1023 0.0802 0.0190 0.0388 0.0165 0.0432 0.0515 0.0503 0.0601 0.0201 0.0520 0.2404 0.0587 0.0628 0.0295 0.0216 0.0245 0.0304 0.0336 0.2176 0.0138 0.1577 Cer(d18:2_24:1)+HCOO Cer 18:2;O2/24:1 0.9118 1.1533 2.0365 0.3099 0.6283 0.3528 0.7689 0.5459 0.8357 1.4675 0.4544 0.7936 3.3152 0.8397 1.3131 0.4558 0.5149 0.5739 0.3075 0.7836 1.4724 0.2653 2.0143 DG(16:0_16:0)+NH4 DG 16:0_16:0 43.3146 14.1407 5.6706 76.4617 26.7020 22.6468 31.8862 46.9299 23.8970 23.4197 24.5679 32.4492 3.6542 231.9840 13.6093 22.8209 15.7108 22.7551 15.0572 32.4686 71.9504 25.3414 6.9573 DG(16:0_18:1)+NH4 DG 16:0_18:1 51.0354 22.7230 18.5855 31.9939 17.8344 20.8611 26.7896 35.8733 20.6747 36.0981 46.4418 30.8984 21.1830 113.9920 20.2427 15.9323 18.3934 61.7382 18.6217 31.0644 134.8278 16.8507 19.2407 DG(16:0_20:4)+NH4 DG 16:0_20:4 4.0074 2.7856 2.2194 2.3214 2.9678 6.8163 3.8814 2.3065 2.2542 4.0207 5.0198 7.5411 2.1100 2.3796 1.2527 4.4035 3.5967 3.9038 1.6679 5.0641 11.1370 1.1678 3.1363 DG(16:1_18:1)+NH4 DG 16:1_18:1 26.8299 5.1988 16.5630 21.6961 21.7084 8.4475 11.0548 17.6797 16.8647 45.2546 15.3503 21.7272 5.7344 44.6487 2.5497 10.3508 7.9889 32.1326 4.7458 13.9989 60.9127 13.2321 10.6984 DG(18:0_16:0)+NH4 DG 16:0_18:0 79.4154 28.9547 8.7512 153.0349 63.5710 50.0185 61.0726 84.5263 53.7723 51.8325 46.6750 72.5262 4.0224 547.5159 23.3871 37.9481 29.3378 44.5987 26.5845 73.6442 110.4163 47.1694 11.3165 DG(18:0_18:0)+NH4 DG 18:0_18:0 51.6553 20.5284 4.7080 118.2885 39.7978 32.5697 40.0227 61.1228 36.6408 29.6361 30.6644 51.0578 3.0607 432.9113 15.3118 24.8059 19.4673 27.5743 18.2395 46.8611 82.1657 27.6967 6.8198 DG(18:0_18:1)+NH4 DG 18:0_18:1 7.0994 5.6840 3.0699 7.4834 3.9137 3.5072 5.0869 6.7356 4.1525 5.1526 7.5372 6.2688 5.2982 30.4719 3.9786 4.9438 3.7096 4.3686 5.1265 5.7360 18.8385 3.3142 6.1595 DG(18:0_18:2)+NH4 DG 18:0_18:2 65.0699 28.2666 26.8016 35.0717 23.0498 26.9288 30.5189 35.5490 21.1587 35.7201 51.5366 59.5890 25.9473 97.0986 25.1587 25.7057 26.0613 42.6469 21.9355 29.5056 146.0235 13.9007 33.3000 DG(18:0_20:3)+NH4 DG 18:0_20:3 1.0413 1.1158 0.9541 2.7275 0.4300 2.7319 2.6474 1.9381 1.2188 1.4322 1.6199 2.8326 2.0588 5.2114 1.3555 1.3751 1.6712 0.5127 2.0913 0.7945 2.7816 1.4891 4.0638 DG(18:0_22:5)+NH4 DG 18:0_22:5 0.1189 1.1259 1.2591 0.1034 0.0593 0.5408 1.0983 0.9486 0.9436 0.3483 0.5474 1.5099 2.0804 0.3159 0.7714 1.6777 0.8082 0.1177 1.3015 0.2380 1.1618 0.3523 3.4021 DG(18:1_14:0)+NH4 DG 14:0_18:1 39.2406 6.8704 5.7885 22.5452 15.8017 16.0782 16.3034 28.6638 14.7102 22.2420 35.1597 24.6296 3.6070 60.9711 7.3740 8.1494 10.3928 75.1894 4.9592 19.5873 91.4454 13.4347 5.0761 DG(18:1_18:2)+NH4 DG 18:1_18:2 37.9831 12.0198 19.8060 12.7058 22.9655 18.8288 19.4352 24.1361 15.9820 35.6398 25.2390 53.9512 15.2208 34.0233 9.6944 11.1514 19.6944 31.1918 13.4586 22.1337 101.0598 8.0150 16.7413 DG(18:1_20:4)+NH4 DG 18:1_20:4 7.1307 4.2857 5.0691 1.4328 2.7040 14.6520 7.4267 3.6016 2.9917 3.8501 7.0973 14.7576 4.6781 2.0653 3.4124 5.5049 9.3336 3.8019 4.3513 4.6421 21.0057 1.6516 9.5631 DG(18:2_18:2)+NH4 DG 18:2_18:2 20.6216 21.7526 26.5663 8.7386 28.7364 43.5365 39.3136 36.9274 30.3949 45.6720 59.7163 66.7856 15.0106 45.0225 10.7852 23.1774 34.0454 17.8052 27.7657 25.0993 61.0192 12.5263 62.0950 Hex1Cer(d18:0_20:4)+HCOO HexCer 18:0;O2/20:4 6.9575 11.0457 2.9411 0.9632 4.2176 3.8691 6.2418 6.4141 4.1781 4.9984 7.4377 8.5640 6.9630 3.0383 5.3894 7.2156 4.8057 6.4946 6.3699 6.7786 4.8786 5.8868 7.3290 Hex1Cer(d18:1_20:4)+HCOO HexCer 18:1;O2/20:4 9.8185 9.6446 3.9102 2.0371 4.8250 7.1724 6.5727 8.8666 6.3189 4.4530 9.0174 8.5686 7.5975 5.5230 8.0920 5.4345 6.4365 6.0180 7.7007 8.2817 6.4114 7.7228 8.1159 Hex1Cer(d18:1_22:4)+HCOO HexCer 18:1;O2/22:4 29.6292 3.6304 1.8960 3.0809 14.8494 29.3207 16.6886 12.1856 18.0601 20.3505 20.5191 22.2977 13.8657 4.9238 14.1526 17.3457 17.6247 12.6757 16.6399 12.9191 14.9512 15.5445 4.3230 Hex1Cer(d18:1_24:0)+H HexCer 18:1;O2/24:0 0.1061 0.6502 0.3672 0.2647 0.1481 0.0875 0.0247 0.0948 0.0102 0.1349 0.1001 0.1756 0.9425 0.0604 0.3742 0.3223 0.1366 0.1557 0.0587 0.0094 0.0070 0.2149 0.6221 Hex1Cer(d18:1_24:1)+H HexCer 18:1;O2/24:1 0.1030 0.2642 0.4011 0.0154 0.0532 0.0105 0.0474 0.0447 0.0124 0.1693 0.1169 0.1257 0.3582 0.0007 0.3383 0.0826 0.0440 0.0791 0.0771 0.0324 0.0124 0.1463 0.4335 Hex1Cer(d19:0_20:4)+HCOO HexCer 19:0;O2/20:4 4.3140 1.5347 0.7291 0.7674 1.9702 2.4907 3.5976 2.6673 3.9061 3.8154 3.0572 4.9502 4.9694 1.7252 4.5052 5.7965 1.4745 2.0321 4.2135 2.6883 2.9903 2.2290 1.5765 Hex1Cer(d20:0_22:6)+HCOO HexCer 20:0;O2/22:6 2.1365 0.3319 0.5698 0.3874 2.1495 2.0016 2.0603 2.4975 1.1443 3.4829 1.5113 3.1975 1.9614 0.2447 0.9975 1.5829 1.5629 0.6615 1.2067 1.3882 0.8505 0.7830 0.9005 Hex1Cer(d41:1)+HCOO HexCer 41:1;O2 0.0129 0.2318 0.2621 0.0017 0.0037 0.0076 0.0067 0.0124 0.0128 0.0229 0.0171 0.0111 0.1953 0.0005 0.0785 0.0779 0.0023 0.0050 0.0401 0.0032 0.0010 0.0162 0.2320 Hex1Cer(d42:1)+HCOO HexCer 42:1;O2 0.0146 0.3283 0.7410 0 0.0075 0.0119 0.0126 0.0258 0.0193 0.0316 0.0325 0.0217 0.3376 0.0033 0.1948 0.0992 0 0.0135 0.0452 0.0080 0.0026 0.0360 0.4201 Hex1Cer(t18:0_22:0)+H-H2O HexCer 18:0;O3/22:0 0.0918 0.8112 0.5086 0.2482 0.0382 0.1119 0.0594 0.0881 0.0932 0.2604 0.1961 0.2754 0.6782 0.3026 0.3781 0.3770 0.2136 0.1074 0.1756 0.2289 0.0330 0.2388 0.7546 Hex1Cer(t18:0_23:0)+H-H2O HexCer 18:0;O3/23:0 0.0127 0.2078 0.1662 0.0992 0.0827 0.0669 0.0867 0.0368 0.0870 0.1198 0.0930 0.0407 0.3761 0.1105 0.1810 0.0906 0.0881 0.0919 0.0727 0.0470 0.0101 0.0725 0.2165 Hex1Cer(t20:0_20:4)+HCOO HexCer 20:0;O3/20:4 17.1664 0.7719 0.2584 1.0614 7.2661 2.4460 7.5689 3.0993 2.3630 9.3574 6.7655 12.5271 6.5311 13.6265 12.3273 16.9681 2.4822 10.1853 8.3106 4.1792 10.9635 3.0534 0.4385 Hex1Cer(t20:1_20:4)+HCOO HexCer 20:1;O3/20:4* 65.1511 1.3345 0.2604 4.6749 27.0247 15.7579 28.5386 16.6911 18.0934 35.0658 23.3382 43.3288 31.5877 39.1990 44.3917 46.9986 11.7404 32.8397 26.7840 26.3262 39.9260 15.3595 1.9361 LPC(14:0)+H LPC 14:0 7.4557 24.6477 15.4362 3.6743 3.0791 11.6148 6.5163 7.5837 11.1042 5.2524 13.6494 7.9059 9.1605 3.4802 5.7364 5.3327 4.2276 2.0714 9.7865 6.5848 8.3861 5.0376 13.1622 LPC(15:0)+H LPC 15:0 3.4482 12.8820 4.6453 1.5710 1.6277 4.4779 3.7556 3.1517 4.7069 1.8697 3.9285 3.9214 4.2483 1.7379 1.9362 2.7443 2.2538 0.9997 5.3693 3.4570 6.2219 3.3208 6.9446 LPC(16:0e)+H LPC O-16:0 1.3685 4.6084 5.5298 0.6322 1.0097 2.1168 1.8473 1.4966 2.0664 1.5159 2.4176 1.6795 2.2267 0.4749 2.0016 2.4615 1.3433 0.5005 1.6858 2.2436 2.5509 1.2941 4.2083 LPC(16:0)+H LPC 16:0 207.1842 870.2725 673.1096 113.4073 235.7080 435.0453 326.5985 348.3288 421.2850 328.2309 426.8177 398.1182 376.6727 83.3097 322.9424 290.2237 230.8886 93.8078 303.5214 327.2630 486.0554 332.4866 616.1069 LPC(16:1e)+H LPC O-16:1 7.8148 7.4351 6.4673 3.7379 8.7704 10.7115 12.5536 7.2559 7.7713 11.6714 5.0531 15.1964 8.6559 6.1588 8.8013 15.3414 5.9924 6.5689 13.5135 7.0638 25.8853 6.6821 6.7340 LPC(16:1)+H LPC 16:1 17.2703 43.3470 37.9735 4.5746 6.8444 33.5989 11.6541 11.2295 14.1413 11.0434 23.2541 16.6026 12.3427 3.9491 19.4387 7.4527 6.9282 4.0258 10.1654 10.7518 13.1541 12.8634 22.4133 LPC(16:2e)+H LPC O-16:2 1.5408 6.9486 5.5633 0.8675 1.7561 3.2284 2.3513 2.6524 3.4335 2.2942 3.3853 2.7140 2.7897 0.6651 2.5743 2.1769 1.6340 0.6925 2.4812 2.4376 3.9475 2.5853 4.5603 LPC(17:1)+H LPC 17:1 1.6792 4.2912 2.3272 0.5259 0.6415 2.6443 1.6398 1.1811 1.4798 0.7472 1.4822 1.4523 1.2659 0.5337 1.2776 0.8149 0.9074 0.3509 1.8368 1.3374 2.0274 1.0910 3.1914 LPC(18:0)+H LPC 18:0 20.4670 46.5584 61.1869 10.3827 21.9684 35.7493 34.7841 37.6824 41.0551 27.4252 40.6910 35.7066 55.8011 8.9213 33.2617 27.3506 22.0907 12.3730 28.7006 36.6654 74.3359 34.2549 68.6035 LPC(18:1e)+H LPC O-18:1 0.7024 3.7989 3.9716 0.3519 0.6438 1.2063 1.0986 1.1860 0.9654 0.8644 1.3126 1.0323 1.4768 0.2339 1.4018 1.7220 0.6941 0.3480 0.8488 1.2244 1.6812 1.0760 2.4495 LPC(18:1)+H LPC 18:1 328.8993 930.6227 540.9247 169.8000 300.9240 801.2012 462.2204 419.1392 561.4041 374.3289 535.3032 465.9581 293.3615 111.7222 509.2465 414.3477 320.4125 125.7745 430.7825 318.4723 444.9213 419.8601 623.9499 LPC(18:2e)+H LPC O-18:2 2.6639 1.3332 1.5998 0.7173 1.8958 2.1305 2.5919 1.9960 2.1797 3.1249 1.8902 3.3679 3.0248 0.9609 3.0108 3.6594 1.0809 0.7785 1.9363 1.6134 5.2767 1.1751 1.2027 LPC(18:2)+H LPC 18:2 520.0699 1346.0316 1128.8823 390.6645 940.7616 967.3752 932.9395 1036.2925 689.0826 1029.8446 744.1045 1205.2773 510.3292 151.6931 361.4656 699.8125 657.0857 204.5728 639.6973 844.5916 355.3929 449.4437 1072.8534 LPC(18:3e)+H LPC O-18:3 1.7415 4.9930 3.1985 0.8768 1.5447 4.2026 2.4089 2.2823 2.8413 1.9452 3.0981 2.4495 1.5088 0.5557 2.7818 2.1910 1.6821 0.6486 2.4850 1.5755 2.3844 2.5494 3.1580 LPC(19:0)+H LPC 19:0 5.4223 8.8504 11.4401 1.2254 5.0711 9.1465 6.2002 8.5498 8.7758 6.7739 9.9054 7.6399 12.9598 1.4467 12.5407 6.4497 8.7963 5.8041 4.9373 7.3308 3.3746 7.2479 10.4669 LPC(20:1)+H LPC 20:1 1.4437 3.5063 2.7099 0.4857 1.0134 2.6334 1.8205 2.1793 1.4919 1.3648 1.8630 1.8251 3.7474 0.2894 1.4907 1.7889 1.3662 0.5401 1.1542 1.7934 4.2183 1.5379 3.1425 LPC(20:2)+H LPC 20:2 2.3372 4.9283 6.0825 0.9427 2.3492 3.7751 2.7099 2.8779 2.1939 4.1639 3.1725 3.3713 3.8447 0.5964 2.1842 1.9432 2.0191 0.9604 2.0512 3.0412 1.8824 2.2437 3.9408 LPC(20:3)+H LPC 20:3 35.9925 78.0500 58.5304 18.0506 34.3635 45.1651 48.7185 32.3278 34.4696 31.5892 74.6610 39.0219 37.2717 22.5599 39.4322 29.8470 30.0599 13.3433 53.6310 53.7990 21.4094 37.4034 71.9362 LPC(20:4)+H LPC 20:4 938.2366 2866.3534 1421.2587 494.2012 666.3799 916.4398 1068.4847 785.3218 1222.7896 1090.6624 1177.0788 1460.8087 780.4076 571.2905 1076.0956 1390.5801 450.5620 475.1427 1046.8299 1077.5147 535.1412 828.1698 1232.6189 LPC(20:5)+H LPC 20:5 23.9737 71.0560 35.7694 9.4271 11.9425 17.9501 23.0804 37.0895 167.4025 21.6368 32.6649 19.4408 29.2000 16.9901 51.0341 25.6446 7.8169 7.8780 32.6347 15.0959 10.8656 13.0241 41.7455 LPC(22:4)+H LPC 22:4 13.9068 26.0506 20.4036 5.6947 12.0365 18.6049 20.1943 13.7496 10.8913 11.0486 16.0548 19.9244 9.3537 3.9727 12.6220 23.5729 10.0148 7.2713 15.0902 19.3666 6.4243 14.9463 24.7704 LPC(22:5)+H LPC 22:5 112.2235 197.6815 116.8963 44.2666 68.1860 94.1606 158.0453 120.3772 218.8367 83.8928 136.3772 139.0816 104.0706 43.7602 122.7409 137.6643 57.1441 43.9320 157.7852 125.8531 54.3464 94.9967 227.7634 LPC(22:6)+H LPC 22:6 87.3130 484.0105 198.4444 41.6464 48.1650 144.1293 68.4536 79.1152 332.3950 132.2457 73.0437 146.7060 218.0102 46.9883 191.5068 191.5346 31.1929 25.1623 101.7634 56.0606 71.0598 63.8199 118.5530 PC(14:0_20:4)+HCOO PC 14:0_20:4 451.3248 41.3520 15.3366 384.9565 388.5285 584.1968 412.4894 233.8037 359.1728 205.7885 635.9985 458.9870 33.6663 1540.3130 41.5442 74.5751 1245.3688 209.3779 97.1932 1247.4835 1114.4028 110.0793 45.7523 PC(15:0_16:0)+HCOO PC 15:0_16:0 107.9765 39.0308 9.3782 63.5862 194.1973 145.3915 100.0797 45.0159 65.6595 40.1263 75.6359 94.1847 11.6159 208.0242 8.4481 4.5792 355.9164 19.0130 24.6123 335.9266 173.3054 33.3319 29.1250 PC(15:0_18:1)+HCOO PC 15:0_18:1 854.5055 64.8184 14.4025 369.6389 666.0773 1119.2582 518.2301 199.3346 447.4562 230.5686 458.1635 493.2815 38.5728 1454.6268 50.2463 75.2189 1914.0972 308.3748 120.2054 1383.3905 1730.2118 171.4628 68.1721 PC(15:0_18:2)+HCOO PC 15:0_18:2 408.9270 27.9179 11.1300 253.9155 894.0036 436.8377 384.6527 166.3315 218.2587 220.5612 177.1124 445.3628 24.7131 770.3905 11.3916 67.1193 1220.2337 162.5652 77.8668 1133.7898 631.3233 64.5216 41.1580 PC(15:0_20:4)+HCOO PC 15:0_20:4 182.0029 17.4264 4.4913 97.5051 185.2043 153.7631 145.3663 67.2326 115.1143 63.8957 131.7864 171.7612 17.2931 629.7080 8.6832 30.2035 408.9755 92.5655 39.9911 549.0967 397.8744 43.7417 17.2796 PC(16:0_14:0)+HCOO PC 14:0_16:0 2472.0120 168.5274 52.7672 902.2697 1561.6524 2296.1975 1082.2477 528.3011 1142.7795 943.3669 1988.4190 1453.1185 130.4887 3931.8123 110.6884 268.4753 3985.4913 788.5307 278.7324 4506.4961 2880.2492 363.2538 123.8059 PC(16:0_16:0)+HCOO PC 16:0/16:0 4663.2110 889.6904 245.4523 1282.0325 6471.3998 4745.6881 2374.3297 1160.0634 2544.7532 2759.8741 3321.7267 4215.0458 492.1770 5341.1543 504.8481 1261.8925 6947.4560 2458.8803 609.6803 11000.2165 3861.8831 1059.5911 361.8681 PC(16:0_16:1)+HCOO PC 16:0_16:1 4544.1660 273.2615 72.1688 2047.6192 3472.9571 6620.5704 2161.8465 880.6056 1727.9511 1700.3826 3274.2282 2507.8499 123.6456 6225.4643 337.4308 379.9008 7435.3604 1607.1937 366.5693 6707.3229 5657.0736 781.7108 221.8548 PC(16:0_17:0)+HCOO PC 16:0_17:0 83.3248 12.8055 3.5607 9.5062 62.3335 55.6187 44.8715 14.3048 33.2782 28.1209 35.0955 49.4642 11.2788 63.5742 4.4201 14.8275 89.5488 30.6379 13.3208 137.9755 75.6464 15.5423 8.0499 PC(16:0_18:1)+HCOO PC 16:0_18:1 26994.9925 2990.8293 551.2021 17431.3221 40141.9882 40078.9305 20308.7277 8016.5520 17325.2026 16168.9506 21339.5255 21796.3147 1249.4252 42139.1126 2991.3517 4755.7846 79127.5231 14942.6836 3782.5584 50909.7278 51670.9864 6439.0766 2222.1802 PC(16:0_18:2)+HCOO PC 16:0_18:2 24018.4637 2681.1909 781.4931 22913.5626 58557.3830 32692.8622 25273.7535 11086.4118 16116.0557 24586.0046 17944.2812 30354.5657 1490.1943 39510.0716 1702.6281 6162.2527 85543.6420 12529.9291 3724.4879 76620.3721 32716.5984 5184.2183 2644.0810 PC(16:0_20:4)+HCOO PC 16:0_20:4 13978.1857 1624.5994 428.2362 9933.0124 21235.4967 13130.4802 11136.1566 5035.4163 9056.8622 8585.7798 13877.4034 14687.7458 896.6193 35664.1631 1154.4406 3112.7772 37393.4744 8694.8661 2032.8232 42197.3059 24324.2541 3617.1056 1376.6920 PC(16:0_20:5)+HCOO PC 16:0_20:5 1458.0146 83.0916 27.0170 572.7491 1334.6224 1260.4187 929.2570 906.3585 2760.5896 655.1834 1421.7764 864.2704 175.5908 3526.4007 175.0482 186.1608 2848.9855 533.8016 192.5602 2945.6896 1690.4485 248.0401 101.1279 PC(16:0_22:4)+HCOO PC 16:0_22:4 259.5066 34.5956 17.3891 123.6052 397.5783 407.7459 258.4031 105.1451 94.9804 111.8801 311.6877 281.0669 29.1780 283.7863 23.4483 55.4143 960.4750 217.1665 42.6748 1048.2666 451.4285 86.2192 43.9451 PC(16:0_22:6)+HCOO PC 16:0_22:6 2929.5855 371.8230 106.1089 1286.9683 3519.4252 4426.0389 1549.6283 1160.9611 3409.8405 2132.7682 2190.6399 2928.6532 414.0853 4894.3901 368.8063 667.0248 6566.1354 1185.2859 357.0608 5664.6431 5634.8601 622.3814 207.3138 PC(16:0e_16:0)+HCOO PC O-16:0/16:0 116.2592 18.0999 10.3920 21.9180 154.1853 158.4525 75.9190 25.2227 47.4086 59.2004 134.8840 98.7552 14.9558 61.2638 14.4605 38.5624 285.0262 55.4788 19.9517 306.9933 97.4631 31.0908 16.4895 PC(16:0e_20:4)+HCOO PC O-16:0/20:4 1236.3259 90.8989 32.0382 381.6587 2713.9216 1211.5099 1001.1752 306.9763 439.5322 622.6371 751.0516 974.0482 54.0808 946.3567 94.1779 330.4820 2129.3965 405.9652 123.0843 2091.6774 1648.8464 141.2623 88.0447 PC(16:1_20:4)+HCOO PC 16:1_20:4 387.9092 19.3367 10.2100 154.8200 289.7232 576.7099 202.9096 93.8703 166.6588 120.5838 364.5174 269.8807 17.4005 457.7029 43.8953 26.7607 609.6617 137.0312 35.3911 697.8171 481.4096 87.8280 22.2831 PC(16:1e_18:1)+HCOO PC O-16:1/18:1 2495.3300 2.8753 0.2947 368.2002 3264.7874 1427.8746 974.0737 147.7667 341.2448 636.0919 679.2777 774.8549 40.6496 3105.7990 115.9480 262.6581 2161.4554 942.0990 135.3512 1756.7838 4021.2225 131.1130 4.3992 PC(16:1e_18:2)+HCOO PC O-16:1/18:2 4703.7707 3.5294 0.7033 1357.6466 12461.9586 3757.4005 3234.0642 814.0749 1059.4637 2593.0400 2017.6165 3347.7775 105.5463 5748.2162 109.2644 587.6411 8908.2175 2079.8186 348.1435 7938.9382 6026.1421 297.2107 14.0002 PC(16:1e_20:4)+HCOO PC O-16:1/20:4 52.2753 5.1729 0.7845 68.6213 233.9124 127.9698 65.8923 28.8019 110.5741 80.8491 34.0235 84.8422 6.7181 114.7624 12.5745 21.5111 135.4087 24.4888 9.1685 124.6073 221.7025 9.2421 2.3791 PC(16:1e_22:6)+HCOO PC O-16:1/22:6 1155.5611 0.9922 0.1042 272.6200 1181.6492 779.1109 397.5150 106.7660 700.0243 522.7600 343.1519 678.5274 41.8130 2822.0698 81.1380 267.3713 848.1594 475.1376 85.4923 1001.3082 2798.4870 91.8218 1.0265 PC(17:0_18:1)+HCOO PC 17:0_18:1 1128.4379 86.4972 22.9965 336.6921 806.3921 1300.4412 787.7023 238.4382 570.3675 377.5031 541.2141 593.3031 69.6047 1087.5417 85.9367 115.5206 2382.5363 515.9786 148.9401 1569.1414 2309.3593 216.7368 118.8355 PC(17:0_18:2)+HCOO PC 17:0_18:2 1069.3258 82.0616 41.1249 470.2155 1606.5450 1304.1775 1099.3481 389.3263 572.8564 596.2199 444.7874 936.8811 82.9763 1092.3826 44.2422 157.5343 2878.5058 436.4335 156.8715 2594.3249 1660.1299 172.2834 167.6792 PC(17:0_20:4)+HCOO PC 17:0_20:4 184.2943 27.3917 6.2470 110.9375 232.3620 193.1835 215.3473 74.4002 146.0386 78.6774 149.2891 173.9815 20.0827 426.5864 12.2917 30.6536 575.6632 133.2073 35.1682 618.9342 482.3148 54.3244 37.0647 PC(18:0_16:0)+HCOO PC 16:0_18:0 460.1789 95.5447 48.5211 84.4568 414.4018 363.5151 258.7185 102.4001 209.0049 236.2385 337.0743 274.2493 94.5860 242.2903 73.6484 141.2331 601.1635 203.9817 102.1330 890.8426 391.2909 102.8711 86.1374 PC(18:0_18:1)+HCOO PC 18:0_18:1 2832.3985 365.3737 113.2936 833.3760 2531.8765 3116.0948 1873.9657 631.0381 1481.7253 1367.2085 2149.3425 1590.3957 328.2096 1582.5438 421.4118 439.2623 6401.2983 1988.0544 436.3470 4458.8552 5047.8811 556.4170 469.2435 PC(18:0_20:3)+HCOO PC 18:0_20:3 332.3597 44.0462 10.2104 143.5271 686.1078 407.3136 258.8832 105.6553 136.6726 150.2456 376.9163 218.9519 41.1216 326.9835 37.2524 45.0817 1154.7680 230.7118 52.7650 939.9074 525.6295 102.2461 44.8934 PC(18:0_20:4)+HCOO PC 18:0_20:4 1915.0927 339.7758 52.4221 1453.9167 2936.6533 1974.0868 1848.2526 727.8744 1088.7457 992.2670 1900.9444 1914.1751 148.9016 3679.6367 158.7571 547.5427 4805.6370 1765.7639 332.8778 6562.5400 4245.0274 493.4073 241.8148 PC(18:0_22:4)+HCOO PC 18:0_22:4 52.0530 8.9950 3.6225 19.4567 68.6277 60.2794 43.1801 18.1558 16.1879 21.3236 47.5299 42.8016 7.6491 26.8370 6.6578 12.1316 161.1074 67.7847 8.5767 163.3997 82.3619 14.9573 15.0484 PC(18:0_22:5)+HCOO PC 18:0_22:5 199.8924 20.2164 3.3796 120.7452 221.7888 149.9432 166.4070 77.6396 119.5552 69.5072 148.1167 141.9610 12.1441 250.1447 14.1137 29.2387 491.0790 169.8350 24.2006 568.3713 316.0692 41.1995 23.2061 PC(18:0e_20:4)+HCOO PC O-18:0/20:4 107.2416 19.9745 8.4242 34.8588 154.7935 122.6927 114.9375 31.1769 77.6127 86.8781 123.9962 98.6391 16.0609 82.7028 17.0199 56.5045 289.5071 77.6840 26.0901 310.8153 253.2910 22.1989 28.1955 PC(18:1_18:2)+HCOO PC 18:1_18:2 4559.8960 411.2966 112.0217 3361.1219 9702.1635 6073.1366 2829.0101 1475.4741 1828.7457 2479.4602 2030.7518 3822.5533 148.7701 2478.3434 243.5616 557.8947 9722.4625 1380.5591 360.7118 8410.5416 4928.3741 658.3975 270.0935 PC(18:1_20:4)+HCOO PC 18:1_20:4 425.2342 43.0660 10.9232 252.3862 406.9158 479.5610 344.4335 189.3727 373.1297 141.4477 499.3886 367.6610 21.7997 588.9222 36.7324 59.0831 1116.1656 231.3599 47.5614 1099.8330 526.9799 90.7541 41.9554 PC(18:1_22:5)+HCOO PC 18:1_22:5 214.1804 14.9420 2.7334 124.3969 229.2109 163.1785 113.0661 65.0628 102.0247 58.5360 139.1395 140.4704 8.4866 254.9209 16.2797 20.3096 404.0571 104.6332 18.2814 440.6705 274.9045 40.9180 14.6092 PC(18:1_22:6)+HCOO PC 18:1_22:6 385.6401 43.8102 5.6646 158.7265 379.8542 696.4822 124.5507 104.6099 286.7779 162.7879 205.5075 232.8903 28.7055 303.4736 49.9742 55.2836 651.7297 120.5616 23.0962 433.1677 898.3122 53.9939 14.5798 PC(18:1e_16:0)+HCOO PC O-18:1/16:0 304.0949 38.1658 16.7826 79.5960 378.2676 459.6838 216.2896 77.2862 128.3090 140.4363 357.8465 205.4333 28.1204 328.2233 41.3220 90.2483 875.2043 211.9238 35.1456 804.5455 623.4979 74.6241 39.6814 PC(18:1e_18:2)+HCOO PC O-18:1/18:2 428.6935 0.8708 0.0275 48.3946 464.4670 195.4766 130.2381 25.7612 47.5539 122.8784 92.4134 113.0740 6.8769 289.5982 30.9713 36.0388 284.7127 118.1074 12.7156 211.0195 602.2557 17.2347 0.8442 PC(18:1e_20:4)+HCOO PC O-18:1/20:4 509.7876 81.3002 38.5292 201.6875 608.1333 550.9189 415.2466 149.4440 309.0625 286.9386 428.0789 399.6313 43.4044 557.1542 62.7056 223.5166 1046.2726 278.1642 70.6308 1491.1016 809.0500 134.4964 76.1967 PC(18:2e_20:4)+HCOO PC O-18:2/20:4 4206.8336 7.8824 0.8168 805.9234 4004.8814 1451.1267 1768.2985 386.1736 992.2212 1691.7357 1306.0260 2060.4343 107.5473 6287.7302 235.8954 678.3328 2830.6217 1721.6603 234.0362 4411.8689 5927.1295 286.9269 11.5275 PC(18:2e_22:5)+HCOO PC O-18:2/22:5 317.5660 1.0841 0.7737 52.6667 268.0205 87.8449 132.5079 32.0999 77.8167 97.8365 71.5763 116.8648 7.7089 375.0262 17.0209 35.0381 181.9598 117.8058 14.4107 272.0195 404.1396 17.0368 1.4392 PC(18:2e_22:6)+HCOO 322.4636 0.1433 0.0070 58.8128 218.4153 167.8016 68.5479 21.0269 121.8230 128.0653 50.5585 118.8660 10.4259 528.5499 32.1773 60.1255 103.9479 83.0646 13.0423 135.3920 648.5155 14.5631 PC(19:0_18:1)+HCOO PC 18:1_19:0 546.1469 12.2831 7.8433 190.4434 992.7513 681.1567 505.7179 162.0462 220.3469 455.6189 304.5729 536.2441 32.6623 212.8062 50.9774 137.7948 1231.6188 217.4008 68.6153 817.7008 941.1571 54.8524 15.7532 PC(19:0_18:2)+HCOO PC 18:2_19:0 432.8838 7.1525 4.9594 170.9866 682.0315 531.4592 424.4678 119.0944 201.8150 253.1472 460.5142 369.6906 29.4582 394.3376 29.3800 73.2293 1117.6001 162.9301 80.0643 1189.7086 616.9255 82.6425 15.1163 PC(19:0_22:5)+HCOO PC 19:0_22:5 104.5315 2.2935 1.2629 40.5018 99.6267 71.5687 82.3418 29.4533 88.0178 61.1473 44.9519 74.5815 6.1369 74.4922 8.9583 21.3832 144.7874 36.9666 10.7211 138.0722 147.8230 14.8552 3.9278 PC(19:0_22:6)+HCOO PC 19:0_22:6 126.1976 4.3117 0.8125 55.4148 112.6729 160.1261 62.8032 27.3147 145.3545 116.1394 42.9933 122.5037 14.0577 106.0647 17.4753 48.1010 105.0301 23.3939 11.2943 115.4709 271.7678 13.6076 2.2923 PC(20:1_18:2)+HCOO PC 18:2_20:1 275.5154 46.1504 9.1315 173.3764 546.7633 338.7727 270.3795 127.0248 135.6405 178.3694 221.8066 280.0307 26.4805 376.6850 26.0584 72.5114 729.5402 222.7514 40.7489 870.4764 570.8024 71.8116 33.8405 SM(d20:1_16:0)+H SM 20:1;O2/16:0 206.0939 153.9417 197.9109 5.3641 76.5796 116.5110 89.2384 82.6813 85.2716 148.5283 153.1885 119.1735 180.8704 17.1959 131.2820 114.8348 87.0326 62.7382 186.0524 83.3507 42.2967 126.2709 193.7938 SM(d32:1)+H SM 32:1;O2 8.8549 6.3260 6.0733 2.0515 4.5867 6.6927 6.0427 6.7619 5.9119 5.3371 9.2271 9.2632 22.3912 4.6398 7.9876 4.7269 4.2572 3.1190 8.4672 7.3488 4.2790 6.2591 5.4775 SM(d32:4)+H SM 32:4;O2 9.5833 13.9471 7.4600 10.2971 14.5245 9.2502 9.2850 7.8176 8.7831 9.8635 8.6774 9.0823 4.5169 10.3700 12.1871 10.7952 10.5076 7.8936 8.4424 10.6234 7.7338 11.9189 8.5410 SM(d34:0)+H SM 34:0;O2 19.3218 22.6588 29.5900 0.6601 14.6194 22.3404 14.1659 11.9818 9.6830 15.0830 23.7810 17.6020 17.9306 3.3040 17.1189 23.4462 10.9626 12.9661 15.3855 19.0246 7.6280 40.6815 23.3643 SM(d34:1)+H SM 34:1;O2 248.3689 234.4656 229.8566 17.9551 203.1694 216.0218 215.0050 192.1521 142.5882 219.2018 299.0839 266.2291 205.4174 62.7273 204.3128 238.2149 164.6205 153.2998 207.6848 266.6166 101.5147 250.6085 229.1575 SM(d34:2)+H SM 34:2;O2 11.2890 8.4803 10.0631 2.0675 6.3911 9.5391 8.8255 7.8688 7.4562 8.6115 9.9758 12.8860 23.5535 4.4681 7.3454 9.7791 6.9988 5.9255 8.9696 12.2882 4.8796 10.4137 8.0913 SM(d35:1)+H SM 35:1;O2 17.5233 10.2610 10.1069 0.6399 6.6729 8.0039 9.7790 8.7127 7.4712 7.6069 8.4351 10.6346 19.6501 2.4746 7.2898 7.9775 6.6111 5.6257 14.4270 8.4157 8.5486 10.0739 15.0956 SM(d36:2)+H SM 36:2;O2 60.4141 32.7775 38.7323 2.7966 23.8680 32.9534 29.9649 27.3419 33.5282 37.5102 38.2948 45.1034 32.4071 8.7343 36.2081 32.4055 26.5401 24.1374 50.2509 27.2608 28.0095 42.1270 36.5180 SM(d37:1)+H SM 37:1;O2 1.4008 3.8185 4.5676 0.1378 0.6549 1.0942 1.4320 1.4852 0.9977 1.2221 1.2297 1.5099 14.8735 0.4389 1.3535 1.2483 0.9934 0.6706 2.9469 0.9115 2.2942 1.7116 6.6918 SM(d37:2)+H SM 37:2;O2 4.1612 0.4812 0.8790 0.1050 4.3182 1.3456 2.2102 1.2546 0.7592 2.6317 1.3793 2.4317 2.4608 0.5031 0.9992 2.1509 1.4855 1.8814 2.3167 1.9579 1.6079 0.8659 0.9936 SM(d38:1)+H SM 38:1;O2 11.4533 36.9531 50.9598 1.1519 7.9460 9.5957 7.7689 9.7729 6.8756 12.0629 15.9365 13.7134 134.1124 1.5930 23.6814 16.0785 8.9808 8.7451 23.8069 6.5772 3.8389 17.0416 53.8215 SM(d38:2)+H SM 38:2;O2 8.3617 18.4021 20.8995 0.6352 8.4571 7.5739 7.4542 6.8004 8.0881 8.8341 11.0104 13.0099 28.7659 1.3647 11.6656 12.7433 8.8414 11.1458 17.4522 5.4400 6.0417 10.7736 26.8288 SM(d39:1)+H SM 39:1;O2 1.2787 6.8347 3.9738 0.2403 0.9084 0.8379 0.7694 1.2804 0.7889 1.1871 1.1783 1.8483 32.9630 0.3088 2.3777 1.3153 0.8748 0.9102 3.3142 0.7302 0.5655 1.4196 5.8191 SM(d40:1)+H SM 40:1;O2 6.6279 72.6196 99.7397 1.7129 6.2611 6.2131 4.9979 10.2176 4.9327 13.4986 12.2395 14.9321 270.0228 1.7148 41.7082 17.0438 6.9320 7.1982 27.1129 7.0116 2.9814 26.4690 78.7904 SM(d40:2)+H SM 40:2;O2 10.4679 30.1652 40.2611 1.2443 7.0233 7.2128 5.5085 6.9882 6.4097 10.2355 10.7599 15.2562 151.7405 1.5478 20.7658 9.4152 8.4985 11.2386 14.8132 7.1022 4.4972 10.7989 31.9287 SM(d41:1)+H SM 41:1;O2 1.8127 16.4932 11.7461 0.4846 1.1202 1.4034 0.9028 2.2604 1.2271 3.1508 2.5169 2.2597 110.1586 0.5724 6.0982 3.1832 1.3313 1.3984 8.6670 1.4920 0.8866 4.4585 14.3751 SM(d41:2)+H SM 41:2;O2 4.9417 12.0248 8.1670 0.4834 2.0160 2.4200 1.9216 2.2794 2.4867 3.5949 3.3387 3.4346 75.5588 0.7658 5.6979 2.8297 2.6304 3.5190 6.6735 2.5550 1.6904 2.9516 12.1431 SM(d42:1)+H SM 42:1;O2 1.7684 30.6416 25.3526 0.7069 1.4661 1.6769 1.1455 3.3046 1.7034 4.7421 4.1811 3.7532 114.7589 0.6041 17.7799 5.5565 1.7141 1.8289 8.3690 2.0158 0.8749 8.9532 23.0877 SM(d42:2)+H SM 42:2;O2 34.4965 113.1502 160.2959 2.1862 17.0093 22.6351 16.3780 18.4254 16.1769 47.0342 39.5078 18.6739 600.4212 3.4919 78.8559 30.6657 21.0438 29.4784 37.6174 23.6022 10.8279 30.0830 175.5980 SM(d42:3)+H SM 42:3;O2 19.4592 29.1906 74.1986 1.0321 10.2938 13.0848 7.9981 8.9479 9.5549 21.4768 17.0716 13.8788 195.8515 1.9652 26.9327 13.1426 10.6746 19.6108 15.8167 12.7896 5.6920 20.0560 46.8368 SM(d42:4)+H SM 42:4;O2 4.0308 4.3038 12.5034 0.1390 2.3155 2.8510 1.6961 1.8431 1.6937 4.3856 3.2422 3.2398 12.7295 0.2594 3.7924 2.3463 2.0305 3.7489 4.0610 2.8743 1.0667 4.7972 8.8956 SM(d43:2)+H SM 43:2;O2 0.9348 3.6797 2.5254 0.0903 0.2831 0.4946 0.4721 0.5354 0.5215 0.8490 0.7805 0.5044 16.9499 0.1207 1.1836 0.6770 0.4299 0.5893 1.3341 0.5210 0.5044 0.5331 3.9542 SM(d43:4)+H SM 43:4;O2 0.5100 4.7707 3.4484 0.1077 0.3149 0.3881 0.2381 0.5571 0.3263 0.8391 0.6830 0.5918 12.1669 0.1445 1.7533 0.8148 0.3392 0.3681 2.2529 0.3933 0.2109 1.2099 3.8111 SM(d43:5)+H SM 43:5;O2 1.1368 3.2368 1.8486 0.0944 0.4936 0.5469 0.4120 0.4813 0.5549 0.7852 0.7710 0.7630 12.2478 0.1687 1.3497 0.6161 0.5658 0.7458 1.4649 0.5753 0.3508 0.7263 2.5592 SM(d44:4)+H SM 44:4;O2 0.4509 8.9299 6.7394 0.1744 0.3973 0.4318 0.2810 0.8197 0.4382 1.1956 1.0798 0.9439 14.2185 0.1395 5.0019 1.4189 0.4529 0.4760 2.1737 0.5040 0.1988 2.4596 5.7810 SM(d44:5)+H SM 44:5;O2 8.2826 36.5043 26.3319 0.6253 4.3307 5.5318 3.7750 4.1905 3.9002 11.1323 9.6624 5.3116 21.3320 0.8355 28.0416 7.2573 4.7874 6.6845 9.3905 5.5806 2.3377 7.7819 44.0839 SM(d44:6)+H SM 44:6;O2 4.3282 8.5456 12.0524 0.2143 2.4738 2.7921 1.7420 1.8663 2.0685 4.7036 3.8189 3.0530 7.0625 0.4192 7.5131 2.9770 2.2199 4.2465 3.8785 2.7357 1.1985 5.0917 11.0393 SM(t42:1)+H SM 42:1;O3 0.7848 1.8958 1.9949 0.0471 0.3300 0.4793 0.3853 0.4064 0.3421 0.9211 0.8541 0.5682 7.5367 0.0883 1.3121 0.5134 0.4457 0.6761 0.7805 0.4578 0.3130 0.5115 2.8328 TG(15:0_14:0_16:0)+NH4 TG 14:0_15:0_16:0 54.0680 68.5977 45.5389 56.9840 56.7621 53.2041 48.3182 56.0344 48.9416 54.4473 46.2559 59.6335 41.9677 66.4378 58.7456 55.2430 59.0333 49.0416 43.8575 56.6410 48.2428 45.0896 55.5364 TG(15:0_14:0_16:1)+NH4 TG 14:0_15:0_16:1 22.3748 31.8067 18.1371 24.1240 24.4356 21.9618 22.3868 25.1046 19.1771 21.1471 19.5492 25.9804 16.9419 28.6283 26.5079 24.1567 25.2562 20.2169 20.3204 22.9479 21.7644 18.9892 24.1520 TG(15:0_16:0_16:0)+NH4 TG 15:0_16:0_16:0 53.9496 66.2669 44.6365 57.5072 59.3241 52.1045 49.6660 58.9339 47.8140 53.7346 45.8960 58.1021 66.5412 69.3499 60.6808 55.3054 59.0404 49.2729 43.9943 54.6808 48.1876 45.3183 55.6696 TG(15:0_16:0_16:1)+NH4 TG 15:0_16:0_16:1 62.5180 84.7228 53.5591 67.6867 66.6641 58.4152 62.3519 66.7341 58.4670 64.8434 51.7522 66.3201 58.3281 79.0902 79.7547 70.3824 68.8076 59.7117 52.8103 70.2000 56.7509 55.7421 65.1343 TG(15:0_16:1_16:1)+NH4 TG 15:0_16:1_16:1 29.7658 38.0494 23.3056 33.1925 32.4882 28.0277 27.6678 31.4708 26.2898 28.3671 24.1796 30.6634 22.9956 38.3524 36.3607 30.2740 32.4000 26.7647 25.5681 30.6742 29.3842 25.4724 30.0193 TG(15:0_16:1_18:1)+NH4 TG 15:0_16:1_18:1 98.6899 123.9094 84.5977 101.7805 101.3337 96.6328 87.4360 101.9522 88.5373 98.8232 83.5374 108.5064 87.1414 118.4445 106.6608 98.5613 106.2197 88.3999 79.3608 102.4920 86.3861 82.1907 101.7164 TG(16:0_14:0_14:0)+NH4 TG 14:0_14:0_16:0 28.4990 36.8580 24.2654 30.2759 30.0413 28.0130 25.4524 29.6366 25.8629 28.8691 24.3213 31.5560 23.7974 35.0070 32.0354 28.7434 31.3468 26.1024 22.8264 29.9636 25.2572 24.8660 29.5538 TG(16:0_14:0_16:0)+NH4 TG 14:0_16:0_16:0 51.4995 64.1417 44.9574 52.6920 52.4204 48.5912 46.1641 53.3915 46.6257 52.6603 43.6878 55.6844 48.6361 61.8758 57.1825 52.5732 55.1828 46.3882 42.1916 52.2754 44.0792 41.7379 52.7266 TG(16:0_14:0_16:1)+NH4 TG 14:0_16:0_16:1 86.8503 110.3510 75.1230 91.7146 91.3770 83.4179 77.8243 90.4313 76.8990 86.1275 75.3722 94.2205 87.3073 102.1042 96.8695 88.5196 93.1841 78.8542 70.3893 88.4660 76.0124 72.8995 91.6722 TG(16:0_16:0_16:0)+NH4 TG 16:0/16:0/16:0 93.3829 119.0577 95.5474 112.7400 116.0226 74.1215 83.2303 101.4335 88.5645 92.1984 90.2277 112.8010 93.5093 84.0245 93.5063 98.4269 114.2877 94.2535 58.5678 81.1599 97.6925 62.5895 76.5711 TG(16:0_16:0_16:1)+NH4 TG 16:0_16:0_16:1 101.3708 127.5441 102.6474 96.5838 102.3084 95.2493 83.2040 97.3844 83.8789 103.9028 88.2569 102.7188 176.9647 125.3164 105.0066 99.7383 108.2477 85.6104 79.2332 95.5894 84.5785 82.6461 111.2676 TG(16:0_16:0_17:0)+NH4 TG 16:0_16:0_17:0 39.8143 60.5167 46.2112 34.5105 53.5807 47.9875 34.3391 40.9227 35.0897 37.3969 43.4629 42.6125 42.1380 53.9646 53.1022 50.2799 51.4726 46.4785 29.7342 48.3346 36.7909 33.7755 55.5031 TG(16:0_16:0_18:1)+NH4 TG 16:0_16:0_18:1 102.3224 124.5957 133.0682 85.6764 83.8988 78.4376 89.9867 86.1551 92.0569 113.4122 86.5000 91.4447 375.8788 97.8660 105.4288 113.0007 94.7115 81.2610 93.1599 112.2353 95.7898 95.3502 136.2174 TG(16:0_16:1_17:0)+NH4 TG 16:0_16:1_17:0 71.1036 99.7207 66.1752 81.3639 76.2795 71.3497 66.6713 77.0622 64.2280 71.2607 59.8375 80.5690 82.2122 93.1758 84.2606 78.1305 94.1265 64.9957 59.4656 74.2842 66.9173 61.1599 75.3990 TG(16:0_16:1_18:1)+NH4 TG 16:0_16:1_18:1 105.3147 130.9973 138.5824 89.5377 89.4944 92.9625 85.9764 102.0928 85.6749 102.1115 93.9737 101.8299 340.2273 106.4853 116.6826 96.8754 98.5775 92.6366 83.0091 89.8097 76.9846 81.3640 129.6721 TG(16:0_16:1_24:0)+NH4 TG 16:0_16:1_24:0 14.6321 20.9740 12.4065 15.4992 15.7762 14.3632 13.2604 15.6264 12.9044 14.3915 12.1734 16.4643 10.9807 17.1318 19.3222 14.3136 15.9632 13.7218 13.1385 15.3131 13.3353 11.3755 15.7527 TG(16:0_17:0_18:1)+NH4 TG 16:0_17:0_18:1 43.2099 53.3295 30.9599 45.9822 34.2638 44.1973 31.2447 45.8265 30.6253 44.5649 37.4248 43.0643 54.1333 50.5943 48.9043 31.1675 47.1745 40.9493 28.5720 34.1788 28.9133 34.9351 38.8092 TG(16:0_17:1_18:1)+NH4 TG 16:0_17:1_18:1 47.7185 56.5370 65.9487 45.7302 46.5706 46.2498 40.3397 45.8900 41.4461 45.0813 40.7021 50.5062 78.8974 54.8920 51.9517 44.0946 51.1020 42.1492 37.8215 46.4687 38.8377 38.0813 51.3810 TG(16:0_18:1_18:1)+NH4 TG 16:0_18:1_18:1 177.5654 119.6174 145.0189 71.8872 68.3401 82.6633 77.6487 94.4281 72.0439 84.4846 97.4956 75.8964 780.7214 78.0484 135.4341 98.9653 69.7905 73.4658 71.7592 89.0013 74.4114 60.9432 154.8193 TG(16:0_18:1_20:4)+NH4 TG 16:0_18:1_20:4 14.1447 19.2632 41.1959 12.0400 12.6856 11.0970 10.3103 12.5556 10.3607 13.9843 11.4693 13.4137 165.0407 13.3744 17.5684 13.0565 12.5696 11.6417 11.9159 11.8984 9.8933 10.0131 23.0944 TG(16:0_18:2_18:2)+NH4 TG 16:0_18:2_18:2 11.1170 25.8484 54.5794 17.9455 7.9654 6.3545 6.6181 8.7636 6.6154 10.9348 9.1901 9.0112 129.8925 7.5942 12.1098 16.6609 7.8291 16.9612 8.1894 15.9310 6.5154 7.6697 27.0471 TG(16:1_14:0_14:0)+NH4 TG 14:0_14:0_16:1 12.2510 16.4548 11.9330 13.0272 12.9747 12.4895 11.2431 12.9399 11.4656 11.8236 7.6649 13.4806 17.9197 14.5587 14.8217 12.3139 13.9574 11.0922 10.3785 12.7925 7.3526 11.0997 14.3675 TG(16:1_14:0_16:1)+NH4 TG 14:0_16:1_16:1 18.7747 28.6641 18.2110 22.5127 20.2905 12.7817 17.6110 20.8355 17.9387 17.9440 17.3425 23.1202 12.8403 24.4180 25.0139 21.1690 20.6202 17.8433 17.0311 19.4429 17.7478 17.0953 21.2112 TG(16:1_14:0_18:1)+NH4 TG 14:0_16:1_18:1 65.7619 86.4816 69.2108 67.8518 70.1902 64.6335 59.2263 70.3861 56.7969 65.7332 58.6932 70.0552 101.4287 75.0831 78.6771 66.3061 70.4724 62.6096 53.2116 67.5201 56.1324 57.0831 71.6385 TG(16:1_16:1_16:1)+NH4 TG 16:1/16:1/16:1 16.0052 21.6786 18.7978 16.6622 16.6966 15.3533 14.3051 16.8535 14.0694 15.8997 13.8714 17.3571 29.5726 18.7926 19.6658 16.3077 17.2924 14.9424 13.1678 16.0641 14.0412 13.6274 18.6346 TG(16:1_16:1_17:1)+NH4 TG 16:1_16:1_17:1 16.1454 20.2620 14.3560 18.5242 16.3381 15.3539 13.6962 15.5957 14.3558 16.1902 13.2056 17.5805 15.3394 18.4871 17.4799 15.7878 17.9101 14.2970 12.6360 16.7226 13.6385 13.4214 16.3609 TG(16:1_16:1_18:1)+NH4 TG 16:1_16:1_18:1 39.4145 49.1572 50.3347 34.3302 36.7717 35.7072 30.7477 36.4669 31.7760 34.8698 32.1147 41.4948 97.2448 40.5167 46.4214 35.2663 35.8030 35.0443 33.8488 36.4897 30.0929 30.7297 44.3900 TG(16:1_17:1_18:1)+NH4 TG 16:1_17:1_18:1 23.0223 33.8191 22.6033 23.4727 24.4819 23.0464 24.7195 25.0621 21.5328 23.4611 19.6675 25.1745 35.0709 33.1481 27.2287 24.8163 29.1116 20.2480 19.9629 25.2791 20.0723 19.5902 25.5458 TG(16:1_18:1_18:1)+NH4 TG 16:1_18:1_18:1 66.7897 74.1795 147.0793 55.5196 55.1562 42.8211 39.8472 51.3283 38.4890 57.1809 53.2497 52.1656 480.2619 54.8421 69.2829 46.6758 49.6489 48.5890 46.8172 45.7755 40.7577 40.2534 83.8240 TG(17:0_18:1_18:1)+NH4 TG 17:0_18:1_18:1 19.6377 26.9710 27.6686 19.8738 17.1928 17.4438 16.1399 28.6140 23.4123 23.8416 20.9780 15.4127 43.6061 23.0901 25.3259 22.6771 19.3629 16.3180 14.7639 24.5406 19.4036 13.7544 21.6561 TG(18:0_16:0_16:0)+NH4 TG 16:0_16:0_18:0 49.1336 53.5516 41.3801 43.0271 51.0856 43.2650 41.0968 46.2310 42.3667 46.3399 41.0458 48.2034 40.4047 54.1117 50.2140 38.7105 44.1906 44.8252 25.5520 44.2240 29.3977 39.2478 48.7554 TG(18:0_16:0_18:0)+NH4 TG 16:0_18:0_18:0 21.4161 24.3931 17.9926 21.9468 21.5621 20.9977 18.1556 21.1691 19.3136 21.9940 18.7124 23.2423 14.9975 23.8275 21.4536 20.0425 23.7067 18.9383 16.1185 21.7985 17.8130 18.0721 21.7771 TG(18:0_16:0_18:1)+NH4 TG 16:0_18:0_18:1 45.1468 53.2144 44.4959 37.4037 42.8734 66.1882 37.4548 70.4185 27.7181 42.2046 49.5534 48.2447 125.7896 34.9117 43.0073 45.3596 44.8797 29.9307 36.0357 45.3958 27.9021 38.6587 55.9037 TG(18:0_18:0_18:0)+NH4 TG 18:0/18:0/18:0 14.2760 18.3542 13.6677 15.8004 15.4163 14.4703 12.5659 15.2948 14.1210 14.6452 13.0003 17.3387 11.0636 17.5074 16.9102 15.4038 15.2708 13.4352 12.1456 15.7599 13.3268 11.2353 16.1950 TG(18:0_18:0_18:1)+NH4 TG 18:0_18:0_18:1 17.5786 21.8594 13.9573 19.3516 17.2994 17.4519 12.5650 19.1704 16.2361 16.1908 15.5094 16.3467 22.0439 18.2921 18.9641 19.0572 15.2383 13.1387 13.7618 13.0249 15.7707 14.3586 20.3682 TG(18:0_18:1_18:1)+NH4 TG 18:0_18:1_18:1 43.7449 38.8056 37.4697 29.9331 31.3048 19.5302 26.0885 26.3212 56.8241 26.2525 31.0340 36.1925 170.2810 28.6230 36.1360 28.0747 26.6890 21.1764 28.0866 28.4016 25.0058 24.3064 50.5435 TG(18:1_17:1_18:1)+NH4 TG 17:1_18:1_18:1 21.0957 17.5697 21.3105 18.4125 18.5040 18.2958 17.7151 14.9211 12.4197 21.1114 18.2115 19.8301 39.5569 25.2467 21.5038 20.7916 16.9767 16.1630 11.9860 14.3957 12.1555 11.8491 23.7586 TG(18:1_18:1_18:1)+NH4 TG 18:1/18:1/18:1 67.3189 99.2202 89.7740 51.5420 55.6517 42.0986 39.2727 59.9369 37.7877 44.3914 54.4866 48.8215 589.4067 59.2677 100.8578 52.8921 46.5864 47.9103 49.2312 42.8962 39.5630 36.1165 94.4379 TG(18:1_18:1_18:2)+NH4 TG 18:1_18:1_18:2 58.7676 73.7992 164.4521 40.2020 41.8569 38.2200 35.2235 40.4411 35.2369 48.1102 45.5342 47.2949 962.4225 43.1152 68.3323 47.1047 41.3185 43.2185 45.0679 39.6097 33.0539 32.5337 103.4005 TG(18:1_18:2_18:2)+NH4 TG 18:1_18:2_18:2 9.3943 12.8362 32.4841 8.4741 9.1953 9.4596 9.0397 8.6544 6.8631 10.2893 7.4634 9.5326 123.4943 9.0134 11.2363 8.9824 9.5853 7.7672 7.8354 8.5436 6.1448 7.2174 15.3891 TG(20:0_18:1_18:1)+NH4 TG 18:1_18:1_20:0 11.6964 13.2535 9.6855 14.4111 10.3795 8.3743 8.2732 9.5356 9.7048 8.4847 7.4759 11.7952 13.0893 13.1216 12.3614 8.9197 12.6562 9.3550 8.3270 10.6311 9.5044 9.2506 10.7103 TG(25:0_14:0_16:0)+NH4 TG 14:0_16:0_25:0 11.3004 13.8011 10.6153 12.3504 11.3057 10.5652 8.9454 10.9344 11.2230 12.6494 10.4994 14.1234 9.1005 14.3054 15.4351 10.9172 12.1012 11.2399 10.8399 14.0983 7.2165 9.3704 11.9466 TG(25:0_15:0_16:0)+NH4 TG 15:0_16:0_25:0 11.0367 18.4741 8.4566 12.3818 12.0283 12.0141 10.7349 12.0309 10.2915 10.8553 9.5184 12.2527 8.2164 14.8400 13.9483 12.5516 12.4050 12.0398 11.8356 11.2882 10.7477 9.7127 11.3205 TG(25:0_16:0_16:1)+NH4 TG 16:0_16:1_25:0 10.6507 15.3934 9.5507 11.8033 10.8709 10.3764 9.8213 10.8734 9.3918 10.9787 9.0187 11.5402 8.0746 13.5068 13.0844 10.5232 11.6420 9.7723 8.8441 11.0867 9.4928 8.2442 11.2085