metabolite_name P49 P50 P51 P52 P53 P54 P55 P56 P57 P58 P59 P60 P61 P62 P63 P64 P65 P66 P67 P68 P69 P70 P71 P72 Ceramide (d33:1) 3403 1431 1769 943 1125 789 862 1702 393 795 803 1319 853 847 1433 851 1793 689 736 822 808 936 2201 598 Ceramide (d34:0) 8348 7471 7763 11475 10273 17140 14196 14715 10201 10106 14011 16610 16758 9797 11707 10960 6229 9218 10395 13726 13831 9757 9109 9357 Ceramide (d34:1) 231335 85662 178163 75300 143433 48729 57951 153796 30761 42124 47795 100613 51321 55121 114840 49094 192070 52578 62448 87936 52151 67820 141859 51532 Ceramide (d34:2) 8407 3895 6726 2306 5867 1389 1855 5634 1161 1176 1833 4060 1250 2651 5211 1512 7157 1522 2012 3514 1675 2736 5207 1622 Ceramide (d36:1) 54383 26740 59621 36210 60919 18265 24222 54114 13322 20325 22729 39951 19187 20336 49912 21886 56302 22612 21133 25848 18061 30870 46517 18229 Ceramide (d38:1) 27298 11316 33964 43679 35488 31981 26617 40121 26895 39982 35589 54865 39902 27447 40093 46014 26447 40225 27229 29937 36220 34631 39548 29942 Ceramide (d39:1) 2223 914 1951 5218 2123 3919 2415 4544 2607 4760 2284 4604 4826 3411 2873 4475 1272 4318 2940 3050 4088 4994 3402 6729 Ceramide (d40:0) 1916 1013 52156 123983 41339 171720 204651 192486 87783 72704 171243 232445 208141 61990 125355 135430 17267 144957 113178 186780 173834 89412 70238 75267 Ceramide (d40:1) 80965 34154 65182 131524 74249 109518 60765 108399 96805 164083 105326 145635 155642 88630 87129 168408 52406 137725 104613 88328 143716 165950 116137 206196 Ceramide (d40:2) 7931 3049 7148 4967 7934 3150 3117 7456 2443 4337 3874 6448 5491 2720 6082 5098 4549 4252 3137 3732 3369 4518 10261 4347 Ceramide (d41:1) 13467 6941 17217 32609 13345 21245 11666 25423 21601 38815 16812 26547 35506 24778 17009 37173 13250 30158 24075 20925 30455 42224 22419 55273 Ceramide (d42:0) 3594 2478 53425 93132 35581 112705 166458 131568 92560 62839 179579 205348 171685 59867 108532 145359 18997 164799 134037 149567 158679 79498 84953 67469 Ceramide (d42:1) 197570 91000 163046 112937 146523 76535 48615 117837 84645 137343 88218 125719 127015 83613 105635 163298 166714 146906 112986 75507 129720 153185 235182 180009 Ceramide (d42:2) A 79183 37075 95576 64612 68666 35150 37290 79478 36091 53485 52768 80103 58667 44931 72228 61177 98828 54029 48680 58566 43545 57387 72160 53732 Ceramide (d42:2) B 23510 28891 69817 47015 14663 25248 28334 58553 27516 38536 39944 57550 41721 33099 54154 44499 15339 39123 36125 42560 31074 40605 25022 39307 Ceramide (d43:1) 2944 1654 2824 987 2343 1297 1114 1002 1157 2056 1329 2080 728 1738 1665 2459 2275 2122 1820 1295 1645 965 2785 2871 Ceramide (d44:1) 4891 2402 4027 2339 3379 1619 1610 3079 1346 2241 1804 2459 2683 1746 2429 3047 5705 2714 1759 1519 1731 2655 4591 3076 FA (16:0) 353672 306400 373588 339887 315803 261039 302710 457823 240833 237487 335383 416289 567930 422018 319361 324053 386501 305737 347350 255822 350383 308317 293109 346944 FA (16:1) 2596 2510 6216 5558 3820 5307 6341 8018 3672 3107 4599 7518 6435 4482 8193 6358 7200 2015 4185 5480 4125 3538 4539 2968 FA (18:0) 1231693 1109117 1263174 1112151 1100862 789380 1038710 1499407 873301 856954 1146527 1423080 2021409 1493497 1064258 1188906 1442084 1082429 1112260 844045 1175196 1056490 959491 1192965 FA (18:1) 57466 42522 109499 102402 86936 99657 149963 167178 48430 57943 75407 157855 99090 84190 156116 96044 110566 53554 84970 106563 93353 92838 101780 80823 FA (18:2) 30519 22071 51731 49970 32263 39101 42660 81266 13869 15546 27544 52934 24009 25272 49437 30334 36389 21225 30901 42363 27455 28715 44140 24659 FA (20:4) 125807 54742 131306 61003 81656 26521 44467 106013 10978 14111 27757 54520 20978 33564 82950 33207 61141 37107 43101 38518 35733 39680 109815 32700 FA (22:4) 33853 13109 32450 17014 17022 8401 13829 31562 3394 4711 7889 20932 6581 12199 36838 10637 20719 14112 14779 11409 15127 17790 51136 12914 GlcCer (d38:1) 3966 2076 3605 2326 3739 1290 1573 1859 1172 1808 1576 2195 1873 1828 2628 1825 2094 2213 1593 1409 1645 2509 5143 1731 GlcCer (d40:1) 25382 12446 14874 5138 18267 3378 2615 7615 2563 4725 3274 4054 5579 3323 8041 4408 8808 8079 3733 3202 4231 6637 30690 6465 GlcCer (d41:1) 3500 1913 2283 992 1832 336 581 1385 481 784 526 545 767 897 1119 682 1494 1007 593 718 650 969 2935 1249 GlcCer (d42:1) 36047 17807 21874 2459 18318 1201 1593 8672 1312 1846 1612 2171 2778 1990 7347 2138 11260 6904 2011 1600 1317 2911 33579 1914 GlcCer (d42:2) 6922 3150 7931 1598 5872 4444 1475 1353 1128 6074 1383 1513 4609 4673 2013 1379 4574 2041 1462 1514 7029 8427 4653 8905 GlcCer(d14:1(4E)/20:0(2OH)) 237942 172735 23177 86431 217436 22967 226994 30464 17176 54199 22376 32156 49708 34970 25377 56335 240083 42372 38156 23781 54249 55018 232194 61100 LPC (16:0) 22605 11316 18580 20787 17129 16077 20817 20388 16955 23067 19428 20795 29394 14676 17997 22518 14279 24489 16706 17459 17514 20727 23996 22159 LPC (18:0) A 13652 5578 10446 9672 16003 6197 8817 9683 6960 9126 8192 9351 12858 7286 9645 10885 13026 12225 6574 6633 5911 9633 12439 7951 LPC (18:0) B 13677 5604 10477 9650 16050 6190 8861 9740 6971 9185 8336 9422 12973 7472 9671 10901 12884 12254 6633 6732 6012 9513 12598 7976 LPC (18:1) 915 553 889 1030 1043 774 771 757 1053 1404 1060 1308 1516 1243 1469 1374 305 1329 989 997 898 956 1249 1157 LPC (18:2) 280 443 683 490 471 633 446 501 619 699 733 605 1033 817 413 547 402 836 547 603 315 555 689 505 LPE (16:0) 1834 938 1878 3781 1505 3417 4962 3308 2449 2763 3201 3787 4777 2005 3033 4231 888 3181 3344 3032 4275 3073 2249 3954 LPE (20:4) 2484 1242 1907 1368 1484 1324 1475 1552 650 862 1157 1536 874 860 1037 1490 959 1832 1359 1151 1262 1383 2358 2165 PC (32:0) 59043 39787 73197 38720 47869 17074 27757 38239 20138 25792 31942 33430 33114 34905 36000 34051 53480 40121 22544 27161 21936 30566 56650 28891 PC (32:1) 5218 4968 8081 24594 5285 27475 19399 15861 34395 42769 37059 34617 62676 20583 20901 50815 4922 24539 19603 24118 31227 25285 12602 32089 PC (32:2) 901 1071 1180 3486 1122 3659 3860 2653 2861 3293 3022 4341 5655 2555 2297 4664 553 3134 2645 3584 3422 2118 2060 3294 PC (33:1) 792 853 926 4653 904 1558 1579 3499 5024 6134 4256 1579 6777 1051 3382 7240 785 1704 4107 4809 5656 6215 1274 1562 PC (33:2) 477 661 845 2683 716 2760 2270 1984 1880 1736 1603 2130 2843 1559 1384 2768 618 2290 2025 2371 2096 1654 974 2415 PC (34:0) 15019 10694 14898 6070 12376 4023 5238 7510 3537 3459 4414 5508 4241 4825 7892 5125 12249 7152 4838 4518 3768 4422 13358 4137 PC (34:1) 68405 46435 105153 213419 89290 196061 215191 195768 194092 300997 215196 314475 333020 181797 175277 333959 73429 318571 243197 192662 324269 314132 170266 409361 PC (34:2) 51298 50306 65531 133596 66224 137243 129142 116649 83755 89990 99580 120727 134720 76629 72296 132069 48606 134676 117093 102462 125575 92669 85857 116653 PC (34:3) 843 1003 3056 10652 2013 9828 7854 7574 9768 9461 10396 11001 14549 6514 6420 13880 1771 8599 7416 8172 8924 5446 3715 8377 PC (34:4) 3446 2165 2414 2660 2536 1140 2078 1893 1258 941 1317 1696 1609 1721 1784 1976 1943 2156 1913 2072 1964 1882 2855 2104 PC (35:1) 2800 1690 599 4047 3027 4341 4712 3384 4354 5542 3507 5250 5956 3977 3572 5446 229 5442 4839 4450 6012 6321 2522 8239 PC (35:2) 567 274 332 1048 498 1431 1144 1080 918 1413 866 1286 1229 996 990 1449 340 1388 950 1039 1060 1092 836 1694 PC (35:4) 2458 1824 2516 241 1763 157 172 203 848 217 845 278 255 140 121 250 2414 317 185 199 211 260 195 298 PC (36:1) 21199 13487 20123 18599 22574 17982 24526 21900 18154 27789 20397 35203 25353 20192 22643 30466 19881 36252 27135 19406 32137 32501 27851 37959 PC (36:2) 15747 13788 16564 15372 19623 14531 15096 16198 12377 19743 14603 20851 17887 12811 15549 17445 20520 19658 16147 14393 15726 16607 18140 21842 PC (36:3) A 17677 10461 17292 7443 12590 4285 6400 9712 3418 3401 5012 5949 5183 5648 9029 5641 16352 8800 6441 6059 5521 5638 18667 5227 PC (36:3) B 9415 9239 9390 8622 12117 5107 7236 8266 3924 4684 5514 6722 7456 6595 6652 6168 10216 9724 8373 6631 7532 6415 11756 6381 PC (36:4) A 2509 4950 5021 9051 4480 8552 9228 9294 5251 5192 5781 8557 8290 5641 6687 6542 4955 7660 6205 6073 6946 5179 6027 6607 PC (36:4) B 135952 75053 130410 52211 94944 28554 45593 71132 23623 22799 32998 40193 35233 39618 68172 39086 122142 63328 45889 42076 37676 40310 139996 37700 PC (37:2) 1164 103 1073 3730 1520 171 77 1657 1689 449 1225 296 187 332 304 2171 45 221 197 159 211 2555 152 706 PC (37:4) 2023 1207 1583 830 1351 492 656 656 377 387 495 738 319 594 839 326 1011 593 615 559 611 636 979 570 PC (38:2) 3297 2576 1946 2393 3379 2137 1995 2448 2410 4070 2943 4046 3952 1972 3943 3620 1745 3742 2237 2369 2491 2795 4219 3724 PC (38:3) 4421 3883 4079 3391 5803 2834 3413 3991 2551 2636 3044 3837 3780 2926 3846 3155 5685 3931 3397 3081 2873 3607 4864 3491 PC (38:4) 40632 22325 37514 12386 32241 6217 10326 16678 5418 5191 8453 11725 7066 10334 22717 9968 52765 13960 9153 8920 6803 10679 35375 7603 PC (38:5) A 5899 4148 8342 3994 6187 2005 3236 4598 2015 2546 3344 4486 3278 3213 6315 3713 8053 4782 3466 3113 1940 2735 6282 2357 PC (38:5) B 4667 3619 7452 3387 5152 1632 2793 3856 1671 2048 2674 3684 2828 2811 5075 3127 7493 4082 3015 2625 1944 2122 5011 2123 PC (38:6) 3518 3024 6110 2804 3489 848 2566 2948 503 558 1137 785 18793 906 2915 493 3458 2260 1570 1359 884 1138 2876 798 PC (40:4) 2553 1717 3651 1539 2672 810 1469 1775 744 649 1027 1229 666 1178 2040 1011 3922 1511 1324 1081 1026 1583 2768 1175 PC (40:5) A 7546 4134 3582 1275 5648 661 1047 2307 558 611 824 1168 903 969 2569 995 1963 1982 988 909 744 996 6718 768 PC (40:5) B 930 370 1235 346 1030 216 338 720 159 205 325 281 378 395 942 346 1329 393 160 338 306 492 1339 420 PC (40:6) A 576 822 893 565 678 689 688 781 293 435 506 616 884 413 1231 781 976 770 548 448 511 589 1069 699 PC (40:6) B 1506 1307 1760 792 1414 981 1386 1286 478 855 705 1036 1314 666 1637 1202 1415 1140 861 277 785 945 1960 1060 PC (40:7) 208 184 1079 298 239 1883 482 548 141 239 867 1363 311 343 692 209 516 232 95 173 348 89 740 2024 PC (40:8) 3542 2643 6079 10166 4054 6655 4184 7769 5497 8742 5993 8429 10919 4888 5399 9850 7150 9369 6756 5477 8539 12178 5950 13473 PC (o-32:0) 2540 1611 3495 2694 2266 1003 1788 1855 1102 1554 1729 2791 2590 2047 2714 1912 2564 2565 2239 1545 1791 2464 3037 1895 PC (p-32:0) or PC (o-32:1) 1746 1277 2459 1175 1489 517 919 1278 421 496 435 778 543 769 866 755 2083 647 522 630 204 995 1297 850 PC (p-34:0) or PC (o-34:1) 4087 3351 4745 3674 4700 3608 2875 4163 4477 6733 6652 6052 5668 3629 4942 5453 5624 4289 4054 3716 3363 4237 4031 4047 PC (p-34:1) or PC (o-34:2) A 645 501 583 1440 618 2727 1334 1805 2218 3768 3605 2755 3674 1289 1159 3304 689 1928 1706 1858 1959 1878 958 1818 PC (p-34:1) or PC (o-34:2) B 1758 1336 2597 5853 2262 7874 6423 5351 5052 6813 5849 7784 7268 7724 3617 9587 1595 7946 7123 6878 9614 12776 6525 11970 PC (p-34:2) or PC (o-34:3) 2016 1825 2327 4539 2490 7335 4741 5076 3172 3117 3850 4630 3954 4303 2026 5669 1331 5012 4619 5313 5194 5548 3389 5385 PC (p-36:1) or PC (o-36:2) 299 215 562 2313 391 2237 437 827 1940 1980 1100 1185 1582 2600 1197 2042 79 1381 1779 1149 2468 1933 818 1858 PC (p-36:2) or PC (o-36:3) 121 151 270 428 312 1259 488 829 809 868 1170 1487 1301 632 467 1298 217 738 1031 889 985 814 426 1146 PC (p-36:3) or PC (o-36:4) 2914 1938 3932 2611 2768 1450 1581 2369 1593 1804 2212 2123 1669 2045 2451 2023 4053 1981 2018 1885 1468 2133 2630 1660 PC (p-36:4) or PC (o-36:5) A 534 228 1217 2070 1000 1144 1556 1746 909 1579 1385 2771 2474 840 1496 2676 586 3049 1902 1439 2084 1436 1667 2450 PC (p-36:4) or PC (o-36:5) B 19080 10696 17416 5081 11372 3201 4058 8610 1399 1410 1924 2659 2105 4989 4453 2786 15055 5701 4417 4047 3465 4977 14775 3800 PC (p-38:3) or PC (o-38:4) 773 547 1157 861 722 567 718 713 363 461 504 627 401 629 565 677 1805 758 599 635 614 848 772 806 PC (p-38:4) or PC (o-38:5) A 1783 1243 744 1993 2088 1058 1424 1752 1042 1153 1464 1490 1249 1401 1734 1632 3290 1795 1715 1426 1031 1424 2291 1285 PC (p-38:4) or PC (o-38:5) B 1900 1388 2502 899 1280 727 1004 1283 302 449 391 717 500 765 856 613 3828 879 702 648 818 2874 1416 2690 PC (p-38:5) or PC (o-38:6) 4017 2411 3286 1553 2336 872 141 1817 153 88 63 120 677 1294 1114 193 3082 1436 1179 939 1043 986 2866 1148 PC (p-40:3) or PC (o-40:4) 301 133 364 271 249 2278 270 287 188 3853 235 269 272 2839 242 204 217 188 200 185 3383 4639 234 4647 PE (32:1) 862 186 2346 12816 1130 14266 9314 6361 13860 17915 17550 16387 40473 5684 7822 28030 841 9243 8251 8668 12278 6203 4313 11132 PE (34:1) 13846 8592 22596 71496 18061 55677 59212 47354 55041 94174 62780 105292 138153 38198 46168 129511 13709 85555 57122 47258 83934 53059 44327 103075 PE (34:2) 8859 8059 15302 43967 12873 43406 36819 35746 30813 32696 35699 43063 59832 19202 20357 49574 7728 37903 34500 34712 38640 21849 22704 34621 PE (34:3) 238 145 1171 3626 153 3817 3250 2239 4210 3803 4257 4121 9729 1742 2391 6467 673 2511 2161 2687 2502 1370 1024 2178 PE (36:1) 1176 863 1500 2949 1331 2809 2970 2746 2829 3859 3257 4238 4474 2515 2451 4280 1079 4042 3596 2706 4421 4364 2577 5173 PE (36:2) 11944 11102 13381 25557 14568 24429 24108 19799 25286 46149 32330 43923 57500 16544 23682 43771 11433 30684 20584 19420 28345 18435 17534 33755 PE (36:3) 4602 4278 9908 27256 9231 31631 30366 24389 24450 33372 31792 37850 49631 16131 19299 37817 7350 27763 20956 23402 26018 15222 12522 24736 PE (36:4) 100001 50666 148044 267250 96863 204902 272621 214215 137644 173039 202277 228560 275434 108817 132603 295513 61101 286422 217890 182335 239896 164516 210817 236869 PE (38:2) 744 536 807 701 695 501 648 600 393 607 530 736 649 525 711 659 751 774 559 463 590 478 959 706 PE (38:4) A 2083 1324 2327 1395 1606 1588 1292 1423 1765 1062 1727 1774 2404 1187 1493 2155 1955 1701 1315 1380 1448 1426 2363 1797 PE (38:4) B 175894 87607 178323 94619 142419 45165 71345 99607 41974 64142 70307 116106 91469 61341 127410 126837 133629 134035 72652 60011 68308 70824 203121 84941 PE (38:6) 25772 15116 41855 17371 19159 6298 12594 18427 574 7104 7664 10722 18921 4670 17007 15050 22292 15025 8350 6143 561 5635 38771 7867 PE (38:7) 789 349 1136 3093 871 2120 1608 1170 1455 2516 1435 2722 760 1986 2024 7116 748 2687 2198 3292 1128 2386 1303 263 PE (40:6) 6260 883 6868 6608 5518 3674 5277 6372 357 3731 877 6048 6696 2971 10842 13605 5182 6678 1706 3193 605 4129 8979 7510 PE (40:8) 7525 6114 6321 6320 7260 8501 7932 7858 4261 6414 6846 6285 8439 4990 8098 9304 2636 7964 5864 7628 6394 5938 6559 6799 PE (p-34:1) or PE (o-34:2) 33722 13073 31212 58470 35140 89071 56387 77939 103970 180168 99658 156911 169964 77162 67926 139928 31421 121098 106399 72838 154421 162738 87789 173597 PE (p-34:2) or PE (o-34:3) 7783 3332 18771 67639 15316 123047 78013 103942 137346 198852 165555 165975 186813 61504 51630 205438 10904 156629 127173 101839 173636 139834 44973 169992 PE (p-36:1) or PE (o-36:2) 26351 10690 23044 26645 28534 37798 27825 33112 46294 99611 58203 82753 64211 37895 34541 65049 57626 61608 50843 39175 75564 106700 48120 107208 PE (p-36:2) or PE (o-36:3) 16698 7482 15880 36105 20273 54711 40108 42063 62560 92720 79010 94476 76390 45664 42535 79347 15167 72364 54139 54334 77530 87282 41111 99909 PE (p-36:4) or PE (o-36:5) 359662 167612 403612 360730 306271 243720 331889 363606 207766 221240 228839 285785 362596 263032 281008 382356 280434 410298 333255 279569 337878 303691 451664 309387 PE (p-36:5) or PE (o-36:6) 1789 476 1821 2265 1645 1304 1702 2624 1090 1781 1829 3107 4491 1438 2135 3528 1325 3147 2324 1733 2162 1440 2684 2068 PE (p-38:2) or PE (o-38:3) 1629 663 3080 4171 2898 6771 5311 5376 7383 9344 8284 9844 8405 4809 4458 8895 2258 9416 6738 6369 9819 9147 3727 11810 PE (p-38:3) or PE (o-38:4) 29195 14365 38364 7496 29212 8577 6051 7045 7947 11466 8924 10798 11011 4562 5069 11207 40193 8293 5950 7747 8876 10557 5310 13326 PE (p-38:4) or PE (o-38:5) 257287 128988 347101 229174 266500 154827 241752 231065 134932 173469 163047 216830 202813 166810 175760 239702 361941 297437 214564 189656 253144 301017 292884 295609 PE (p-38:5) or PE (o-38:6) 109912 58403 124746 164895 98940 104040 136119 147092 70306 93319 78686 108476 146088 114519 90837 153112 83959 164436 135730 115281 145738 123846 36576 155271 PE (p-38:6) or PE (o-38:7) 20352 17385 31969 17549 19290 13876 18019 21990 9030 10804 10312 11963 17353 10634 18626 13287 21289 15332 12774 10140 11983 11881 31940 10936 PE (p-40:4) or PE (o-40:5) 17716 7850 16145 20960 17771 15627 19861 17936 12558 14363 11682 19497 20868 14829 15068 19920 8094 27377 22036 17926 26359 25914 22653 28882 PE (p-40:5) or PE (o-40:6) 9553 5504 12021 13549 9877 9849 12023 11682 7487 8902 7469 13842 13759 10223 11520 13794 6807 16960 12738 10803 14933 10972 13795 16723 PE (p-40:6) or PE (o-40:7) 9931 6509 18489 10262 10867 9437 13804 12354 6621 8630 7887 8533 9225 6791 8175 8371 12425 10208 8044 7396 8883 11260 11190 11188 PE (p-40:7) or PE (o-40:8) 4975 3823 8495 6893 5450 5435 7260 7651 3349 4699 4221 5564 5521 4783 5054 5281 6587 6161 4870 4379 5103 4709 7028 5619 PG (34:2) A 922 1865 1842 1500 1298 1351 1381 1599 748 1134 1026 163 1757 953 1908 1412 969 2019 1593 1307 1935 1290 2928 1918 PG (40:8) 1295 1181 86 2826 51 2568 62 2554 40 72 1161 1379 1838 853 819 1169 1366 1857 1331 57 55 1452 5496 1601 PI (32:1) 3601 2824 3485 148 2488 3287 5202 125 2029 2584 2979 2698 7851 1795 5341 5356 2296 157 1626 110 45 133 5163 91 PI (34:2) 25392 21633 25074 33945 24234 30949 45432 31731 22894 26840 30197 41090 34924 18420 24663 44728 12736 38438 28070 31166 28588 20497 38603 30045 PI (36:2) 11156 8698 12355 20800 12759 21702 30373 17119 9941 19272 16168 23361 34850 9993 20622 27869 6852 22023 13856 16226 15483 12201 23237 20649 PI (36:4) 92672 44102 106716 121284 66194 104570 122523 142540 117514 120420 124491 196582 144775 99668 77462 239646 72301 229179 169342 126171 147904 128996 207733 PI (38:4) 101508 53806 174446 323339 119857 200785 125930 255882 164973 282696 166269 265754 334720 133504 151880 15880 202324 311948 205931 165996 279204 394978 175535 471544 SM (d32:1) 1723 760 1165 457 1104 116 85 67 288 426 40 576 421 424 797 468 1003 90 257 295 182 343 1632 256 SM (d33:1) 931 487 56 94 49 2529 28 349 118 115 176 183 165 31 523 3787 71 195 2733 3222 76 3000 SM (d34:0) 922 680 759 580 982 932 782 865 753 900 1215 1093 1600 1193 1410 1341 554 1079 755 1195 1219 1061 771 849 SM (d34:1) 89729 56755 94647 49207 78909 30267 40936 54210 28767 33633 42468 49119 39985 44053 58326 47628 83206 50923 36993 39116 32725 38823 73888 34803 SM (d34:2) 627 1025 2258 1648 1379 213 1223 1402 1090 1140 1545 1854 1038 1512 1511 1359 1949 1255 1408 1306 1134 838 733 819 SM (d36:1) 23974 16506 28420 19814 27837 9921 16764 17942 8730 11941 14437 16473 13678 12918 17827 15253 23249 16360 12051 12299 11723 13591 18737 11227 SM (d36:2) 1457 2928 3364 5843 5325 2143 2129 4522 3514 4144 2329 1082 418 4253 4939 3880 1844 4698 3218 2460 3286 2808 1485 3660 SM (d38:0) 3123 2429 3405 3040 3622 1856 1448 1998 1319 576 1007 1961 1279 1686 1742 1169 2885 879 1361 1369 3721 560 2280 521 SM (d38:1) 13516 10104 15325 12291 18288 6266 9814 8491 5575 6013 7379 9139 7367 7391 11208 8744 11574 8053 6593 6310 6257 7146 11660 5239 SM (d39:1) 1266 747 1237 1623 1452 1296 1161 1369 1095 1630 1077 1529 813 1510 1278 1704 663 1127 1161 1088 1860 2890 1465 2744 SM (d40:0) 128 579 5400 9238 6242 9978 21029 14075 12843 8113 19762 20536 18402 7024 12362 11188 3420 14129 10431 16434 13575 8874 6211 5391 SM (d40:1) 32285 19462 28990 29027 36448 18307 18284 23989 20945 27366 19679 24184 23995 21766 23104 27549 23323 26218 21630 18099 27657 32026 32726 31183 SM (d40:2) A 1708 1471 1486 1360 1688 895 1116 1393 874 898 1377 1346 1278 1137 1292 1614 1187 1281 1007 1108 916 905 1362 950 SM (d40:2) B 1370 1102 1189 1129 1484 335 709 860 637 717 658 853 573 685 667 1238 1245 774 657 302 216 430 1260 159 SM (d41:1) 6946 4261 7524 8714 7807 4487 3765 6167 5644 7284 4546 5283 1912 6312 4907 1557 4729 6244 5362 4193 5897 7779 6900 8486 SM (d41:2) 287 135 286 238 2590 1213 349 269 231 1329 269 1911 321 259 1952 332 237 1884 1512 241 1166 1570 242 1549 SM (d42:0) 8357 4677 8498 5207 8395 3069 4817 5964 3894 3926 4355 4851 5040 3922 5189 4940 7385 5436 3976 4407 3804 4361 8220 3500 SM (d42:1) 63580 32633 57403 30676 57091 15314 20743 31983 18272 23473 22241 26459 24605 22605 29223 29015 51996 30938 21199 19293 20728 27665 59999 21576 SM (d42:2) A 36884 21673 41948 24886 34634 13191 16857 24704 13627 15802 19467 23204 17874 19586 25844 21157 36921 22432 18060 17902 14595 17132 29437 17081 SM (d42:2) B 2464 1526 2435 1314 2854 187 1263 1811 554 853 1047 1897 1087 754 2367 1206 2610 835 1261 1094 714 1158 4441 1120 SM (d42:3) A 8040 6883 8028 7999 10120 7375 7796 8417 6152 9977 7642 10618 9094 6709 8594 9117 10327 9819 7792 7104 8053 7359 8834 11353 SM (d42:3) B 6542 4084 6298 3865 5677 1950 2369 3744 2417 2263 2951 3078 2451 2893 4001 3587 5631 2932 2379 2795 1922 2577 4466 2247 SM (d43:1) 788 450 828 532 629 344 422 537 3382 397 2580 2432 345 514 1782 565 494 483 3622 427 319 457 754 430 SM (d43:2) 431 162 829 1030 699 728 1903 1360 807 482 1196 1288 940 595 944 1189 367 1077 567 877 887 717 527 407 CSH_negESI #109 1495 927 1969 3301 1626 2137 1405 2762 2186 3791 1874 3008 3595 2463 1937 3956 1495 3098 2601 2244 2972 3898 2451 5270 CSH_negESI #113 13327 7672 12061 8538 10353 6273 4373 9238 6908 10213 7328 9760 9389 6804 8562 11571 11792 10419 8757 6440 9565 10710 14360 12518 CSH_negESI #120 4121 3469 5012 1360 1125 858 2296 2004 1775 2340 1788 1484 1474 933 1691 1951 4195 1959 2056 1914 2190 2249 5207 2252 CSH_negESI #223 A 126 336 942 799 909 658 821 849 682 903 805 1008 162 605 604 203 794 760 999 772 952 853 973 850 CSH_negESI #223 B 717 315 812 767 773 672 765 803 526 656 542 673 810 649 631 109 567 835 494 710 683 766 662 540 CSH_negESI #275 63 196 115 74 102 1034 983 937 1060 1260 39 1209 1274 980 896 87 57 1256 1154 1023 1364 1310 807 1415 CSH_negESI #376 1757 1167 1674 1272 1521 1139 732 1256 1031 1483 1088 1350 1442 1118 1166 1571 1658 1470 1263 939 1438 1481 1983 1544 CSH_negESI #378 6437 4081 7075 5271 5590 3007 3017 5684 3186 4587 3632 4964 4392 3995 5619 4623 7778 4012 4255 4698 3259 4871 5240 4092 CSH_negESI #387 204 2526 2568 4601 2476 14202 4433 4894 2912 11268 2719 4265 4226 2998 3246 3206 2584 31325 3154 3069 19137 20091 3085 18538 CSH_negESI #397 532 355 569 602 542 775 442 592 446 266 480 619 522 432 521 710 378 518 479 495 460 288 581 443 CSH_negESI #405 627 1025 2258 1648 1379 213 1223 1402 77 1140 1545 1854 1038 1512 1511 1359 1949 1255 1408 109 1134 838 733 819 CSH_negESI #524 1569 834 1262 1554 1209 1239 1457 1405 1334 1537 1281 1505 1897 1011 1457 1533 1166 1728 1183 1226 1304 1443 1754 1457 CSH_negESI #527 498 312 613 1304 587 1320 1765 1262 1290 1532 1613 1757 2276 957 1302 1758 440 1425 1049 1153 1439 1123 718 1425 CSH_negESI #530 2654 1216 2530 4472 2240 4906 5356 5632 3594 4302 4151 5358 5176 3392 4018 5988 1575 4951 4979 4197 6335 6150 3692 6107 CSH_negESI #573 1691 1134 1117 1247 1411 531 116 838 552 99 759 812 794 820 991 924 48 1145 841 991 1000 77 1328 1051 CSH_negESI #584 103 147 288 213 259 213 264 163 888 235 205 2976 3364 183 171 2048 345 1191 1029 258 194 966 534 169 CSH_negESI #586 13157 8837 14418 12631 11709 16076 18028 11987 10229 16580 17351 19610 30474 11281 21410 23410 10111 15156 12059 13125 13059 9421 18500 13181 CSH_negESI #589 184 247 343 717 156 597 559 546 657 625 704 735 943 505 548 782 215 641 603 525 595 520 416 499 CSH_negESI #593 181 55 300 484 149 592 630 535 321 707 396 548 75 421 610 563 101 903 535 414 798 958 643 1120 CSH_negESI #598 2568 1827 2689 1580 2321 959 1343 1884 961 1269 1477 1617 197 1515 1665 1738 2461 1742 1192 1483 1118 1303 2238 1246 CSH_negESI #599 4392 2850 4770 2842 4045 1631 2187 3049 1614 1998 2449 2792 2190 2269 3037 2655 4118 2750 2116 2191 1696 2260 3925 2129 CSH_negESI #600 399 908 725 947 751 642 628 731 684 834 1207 1191 7037 710 945 7138 676 891 738 823 630 577 796 584 CSH_negESI #615 385 1502 3428 3652 454 3280 3506 3468 2717 3161 3176 3622 327 3146 3370 474 3379 3711 3397 3425 3310 3352 3288 3374 CSH_negESI #624 4932 3203 4825 1712 4232 395 1468 2036 90 65 289 53 214 880 184 179 5114 1424 1710 127 682 1034 4378 407 CSH_negESI #627 2366 1104 2504 2858 2590 4139 4739 2889 2593 3636 3481 2769 4561 3196 4274 3174 2408 4320 2968 2499 4184 4101 4007 4961 CSH_negESI #628 19032 11255 14383 1265 11175 652 836 6237 745 742 1091 1168 1461 1162 4309 95 16692 3637 1177 904 647 1276 13406 833 CSH_negESI #631 19879 17106 31195 18044 18676 14164 18127 22218 8928 11016 10491 12610 2251 10515 18733 2781 20923 16075 13124 10264 12493 12311 32077 11539 CSH_negESI #632 9916 8937 10180 7815 11065 2438 6916 7246 2030 2452 4037 5788 546 3374 18924 417 7657 7041 3774 2369 3592 3872 19341 3696 CSH_negESI #668 7393 2582 7904 6421 5803 3335 4846 6736 3143 3982 4759 6109 7030 3816 4952 6917 4543 7252 5051 4046 5003 6204 10699 7333 CSH_negESI #690 506 396 412 396 183 729 594 624 420 668 708 603 675 573 512 526 550 710 443 456 657 494 349 691 CSH_negESI #695 214 259 436 304 11 590 233 1951 24 146 199 122 190 363 78 211 2562 357 4010 CSH_negESI #706 2098 1737 1904 1798 2074 1789 2009 1962 1637 2191 1835 2711 2260 1737 2212 2439 1852 2761 2122 1759 2468 2577 2371 2906 CSH_negESI #713 19418 11075 19122 15762 19146 11800 12368 15124 12189 18617 16029 22057 20217 12722 18988 22340 24031 18818 14620 12680 15603 14296 20842 17945 CSH_negESI #722 733 367 1284 1045 1016 1058 1456 1264 727 853 847 1098 1030 740 867 1078 765 1109 1054 937 1069 1160 975 1234 CSH_negESI #723 7078 4870 662 961 765 1573 2136 1311 941 3426 1336 1494 1642 964 1243 792 5746 1320 748 1435 1591 3761 5934 2933 CSH_negESI #724 6542 4084 6298 3865 5677 1950 2369 3744 2417 2263 2951 3078 2451 2893 4001 3587 5631 2932 2379 2795 1922 2577 4466 2247 CSH_negESI #733 688 479 654 601 826 467 430 555 530 669 516 509 594 526 547 621 578 606 573 468 665 677 760 668 CSH_negESI #743 5839 3616 624 839 6615 1547 1260 1002 780 751 1532 1298 1065 643 871 6350 3895 879 4803 3718 920 6674 5954 2518 CSH_negESI #749 23525 10422 27554 19172 20343 8756 9745 27359 8430 10113 11702 22650 9141 11350 21216 13518 25255 12185 12621 17472 10910 17295 21090 14182 CSH_negESI #750 2908 1321 3962 3134 2680 1530 2139 5232 1371 1519 2120 4519 1922 1654 3531 2115 3355 2144 2100 3139 1880 2586 3120 2146 CSH_negESI #762 630 326 1147 1267 930 1035 630 1065 841 1128 737 1361 1096 1182 658 1500 2559 1278 1426 905 1635 1565 935 2105 CSH_negESI #764 1044 685 1088 776 1258 315 195 567 306 356 409 143 409 327 712 147 1039 481 277 286 128 337 1185 238 CSH_negESI #767 590 544 10432 16247 6157 12918 28395 23920 13220 9914 35076 43657 25700 10761 26733 25344 5340 23935 16519 26044 10464 6946 10754 5938 CSH_negESI #770 1374 698 2242 1718 1540 1417 944 1541 999 1268 1073 1610 1569 1282 1288 1428 3981 1799 1807 1424 2001 2546 1638 2583 CSH_negESI #773 329 199 10003 22282 8067 25725 36435 35705 16536 12111 25835 39934 38121 12659 23919 24157 3397 31039 23845 31191 28604 15399 13754 13357 metabolite_name Identifier Batch m/z Batch RT Adduct Comment Formula InChI Key Ceramide (d33:1) 5.32_558.47 _5.48_568.5 558.4655 _582.5109 5.351 [M+Cl]- _[M+HCOO]- No MSMS, matches accurate mass, ionization pattern, and isotope pattern C33H65NO3 QBFXCLDNTKBAPQ-STSAHMJASA-N Ceramide (d34:0) 5.89_574.50 _6.08_584.53 574.4967 _598.5411 6.045 [M+Cl]- _[M+HCOO]- C34H69NO3 GCGTXOVNNFGTPQ-JHOUSYSJSA-N Ceramide (d34:1) 5.66_572.48 _5.79_582.51 572.4805 _596.5254 5.792 [M+Cl]- _[M+HCOO]- no MSMS C34H67NO3 YDNKGFDKKRUKPY-TURZORIXSA-N Ceramide (d34:2) 5.09_570.47 _5.23_580.49 570.4658 _594.5098 5.102 [M+Cl]- _[M+HCOO]- C34H65NO3 XXWRZIYYFPIQHE-XPAOSYCESA-N Ceramide (d36:1) 6.36_600.51 _6.55_610.54 600.5129 _624.5567 6.442 [M+Cl]- _[M+HCOO]- C36H71NO3 MJQIARGPQMNBGT-WWUCIAQXSA-N Ceramide (d38:1) 7.06_628.54 _7.27_638.57 628.5441 _652.588 7.159 [M+Cl]- _[M+HCOO]- C38H75NO3 XWBWIAOWSABHFI-NUKVNZTCSA-N Ceramide (d39:1) 7.41_642.567.63_652.59 642.5615 _666.6037 7.532 [M+Cl]- _[M+HCOO]- C39H77NO3 WYSRACVJQVNCRW-PQPBPFPMSA-N Ceramide (d40:0) 7.96_658.59 _7.96_668.62 658.591 _682.6335 8.09 [M+Cl]- _[M+HCOO]- no MSMS C40H81NO3 SXPRAKSDHOEHIG-ZESVVUHVSA-N Ceramide (d40:1) 7.74_656.58 _7.91_666.6 656.5756 _680.6193 7.857 [M+Cl]- _[M+HCOO]- no MSMS C40H79NO3 KEPQASGDXIEOIL-GLQCRSEXSA-N Ceramide (d40:2) 7.08_654.56 _7.36_664.59 654.5597 _678.6037 7.249 [M+Cl]- _[M+HCOO]- C40H77NO3 HILTUFAERVOALR-MQXYEJFFSA-N Ceramide (d41:1) 8.06_670.59 _8.29_680.62 670.5907 _694.635 8.181 [M+Cl]- _[M+HCOO]- C41H81NO3 NAJHAHQNQCNWOP-PUYNVXOJSA-N Ceramide (d42:0) 8.59_686.62 _8.59_696.65 686.6212 _710.6667 8.714 [M+Cl]- _[M+HCOO]- no MSMS C42H85NO3 BPLYVSYSBPLDOA-WVILEFPPSA-N Ceramide (d42:1) 8.37_684.61 _8.52_694.64 684.61 _708.6507 8.497 [M+Cl]- _[M+HCOO]- no MSMS C42H83NO3 ZJVVOYPTFQEGPH-AUTSUKAISA-N Ceramide (d42:2) A 7.70_682.59 _7.75_692.62 682.591 _706.6355 7.815 [M+Cl]- _[M+HCOO]- A C42H81NO3 VJSBNBBOSZJDKB-KPEYJIHVSA-N Ceramide (d42:2) B 7.82_682.59 _7.89_692.62 682.591 _706.6355 8.023 [M+Cl]- _[M+HCOO]- B C42H81NO3 VJSBNBBOSZJDKB-KPEYJIHVSA-N Ceramide (d43:1) 8.57_698.62 _8.89_708.65 698.6223 _722.6662 8.873 [M+Cl]- _[M+HCOO]- C43H85NO3 QHPYSHVSWAOLHS-PVNBSDFKSA-N Ceramide (d44:1) 8.97_712.64 _9.2_722.67 712.6369 _736.6822 9.08 [M+Cl]- _[M+HCOO]- C44H87NO3 CJROVRTUSFQVMR-GVOPMEMSSA-N FA (16:0) 3.25_255.23 255.233 2.552 [M-H]- C16H32O2 IPCSVZSSVZVIGE-UHFFFAOYSA-N FA (16:1) 2.71_253.22 253.2173 1.906 [M-H]- C16H30O2 SECPZKHBENQXJG-FPLPWBNLSA-N FA (18:0) 3.82_283.26 283.2643 3.24 [M-H]- C18H36O2 QIQXTHQIDYTFRH-UHFFFAOYSA-N FA (18:1) 3.34_281.25 281.2486 2.768 [M-H]- C18H34O2 ZQPPMHVWECSIRJ-KTKRTIGZSA-N FA (18:2) 2.94_279.23 279.2331 2.138 [M-H]- no MSMS C18H32O2 JBYXPOFIGCOSSB-XBLVEGMJSA-N FA (20:4) 2.85_303.23 303.233 2.022 [M-H]- C20H32O2 YZXBAPSDXZZRGB-DOFZRALJSA-N FA (22:4) 3.27_331.26 331.2643 2.745 [M-H]- C22H36O2 TWSWSIQAPQLDBP-DOFZRALJSA-N GlcCer (d38:1) 6.39_790.60 _6.59_800.63 790.5969 _814.6409 6.492 [M+Cl]- _[M+HCOO]- C44H85NO8 DFELABABMXOKTD-IYFIADHGSA-N GlcCer (d40:1) 7.28_818.63 _7.28_828.66 818.628 _842.6727 7.191 [M+Cl]- _[M+HCOO]- no MSMS C46H89NO8 YIGARKIIFOHVPF-YAEABVQUSA-N GlcCer (d41:1) 7.40_832.64 _7.63_842.67 832.6413 _856.688 7.532 [M+Cl]- _[M+HCOO]- C47H91NO8 SJGWLQDELUWRDA-MUYAOIFFSA-N GlcCer (d42:1) 7.95_846.66 _7.91_856.69 846.66 _870.704 7.857 [M+Cl]- _[M+HCOO]- no MSMS C48H93NO8 POQRWMRXUOPCLD-AAAFHMTMSA-N GlcCer (d42:2) 7.04_844.65 _7.27_854.67 844.6453 _868.6883 7.173 [M+Cl]- _[M+HCOO]- C48H91NO8 WBOZIXHPUPAOIA-RBELZSLISA-N GlcCer(d14:1(4E)/20:0(2OH)) 4.97_750.53 _5.02_760.56 750.5285 _774.5733 4.886 [M+Cl]- _[M+HCOO]- Accurate Mass Match/noMSMS C40H77NO9 YYILQTLJZBSOCA-IMJQGFQJSA-N LPC (16:0) 1.55_540.33 554.3464 1.596 [M+HCOO]- C24H50NO7P ASWBNKHCZGQVJV-HSZRJFAPSA-N LPC (18:0) A 2.17_568.36 582.3778 2.402 [M+HCOO]- A C26H54NO7P IHNKQIMGVNPMTC-RUZDIDTESA-N LPC (18:0) B 2.36_568.36 582.3777 2.409 [M+HCOO]- B C26H54NO7P IHNKQIMGVNPMTC-RUZDIDTESA-N LPC (18:1) 1.71_566.35 580.362 1.735 [M+HCOO]- no MSMS C26H52NO7P YAMUFBLWGFFICM-PTGWMXDISA-N LPC (18:2) 1.21_554.30 _1.25_564.33 554.301 _578.3469 1.321 [M+Cl]- _[M+HCOO]- C26H50NO7P SPJFYYJXNPEZDW-FTJOPAKQSA-N LPE (16:0) 1.6_452.28 452.2782 1.662 [M-H]- C21H44NO7P CKPBBEOJHAPPBT-HXUWFJFHSA-N LPE (20:4) 1.28_500.28 500.2784 1.329 [M-H]- C25H44NO7P JPNPIRVRGLGTRE-YSKCIPFOSA-N PC (32:0) 5.48_768.54 _5.65_778.56 768.5382 _792.5761 5.601 [M+Cl]- _[M+HCOO]- GPCho(16:0/16:0) C40H80NO8P KILNVBDSWZSGLL-KXQOOQHDSA-N PC (32:1) 5.09_776.54 790.5604 4.952 [M+HCOO]- GPCho(16:0/16:1(7Z)) C40H78NO8P QIBZFHLFHCIUOT-NPBIGWJUSA-N PC (32:2) 4.56_774.53 788.5442 4.558 [M+HCOO]- GPCho(14:0/18:2(2E,4E)) C40H76NO8P GPWHCUUIQMGELX-VHQDNGOZSA-N PC (33:1) 5.4_790.56 804.5761 5.276 [M+HCOO]- GPCho(15:0/18:1(11E)) C41H80NO8P GXTATYLPYLLNLV-MGIDVFSBSA-N PC (33:2) 4.87_788.55 802.5599 4.756 [M+HCOO]- C41H78NO8P SBNDHGBVMZMSNL-UESLNCBNSA-N PC (34:0) 6.29_806.59 820.6068 6.303 [M+HCOO]- GPCho(16:0/18:0) C42H84NO8P PZNPLUBHRSSFHT-RRHRGVEJSA-N PC (34:1) 5.54_794.55 _5.73_804.58 794.547 _818.5917 5.676 [M+Cl]- _[M+HCOO]- C42H82NO8P WTJKGGKOPKCXLL-VYOBOKEXSA-N PC (34:2) 5.22_792.54 _5.22_802.56 _5.22_742.54 792.5396 _816.5761 _742.5392 5.158 [M+Cl]- _[M+HCOO]- _[M-CH3]- C41H78NO8P JLPULHDHAOZNQI-ZTIMHPMXSA-N PC (34:3) 4.65_800.54 814.5601 4.658 [M+HCOO]- matched from Neg mode C40H80NO8P CNNSEHUKQJCGTE-UPPWDXJYSA-N PC (34:4) 4.51_798.53 812.5448 4.508 [M+HCOO]- C42H76NO8P YWDDIWXKFJEMKF-JTZVLWBESA-N PC (35:1) 6.06_818.59 832.6072 6.016 [M+HCOO]- matched from Neg mode C43H84NO8P MFHIZGSSDZJFKD-IYEJTHTFSA-N PC (35:2) 5.56_816.58 830.5917 5.501 [M+HCOO]- GPCho(17:0/18:2(2E,4E)) C43H82NO8P ZSKWZJYUVZYDQU-WESJWMGVSA-N PC (35:4) 4.67_812.55 826.5607 4.656 [M+HCOO]- C43H78NO8P LYNZMLHNPYEREG-ZHMZGHMTSA-N PC (36:1) 6.41_832.61 846.623 6.293 [M+HCOO]- GPCho(18:0/18:1(11E)) C44H86NO8P ATHVAWFAEPLPPQ-VRDBWYNSSA-N PC (36:2) 5.89_830.59 844.6074 5.851 [M+HCOO]- GPCho(18:0/18:2(2E,4E)) C44H84NO8P SNKAWJBJQDLSFF-NVKMUCNASA-N PC (36:3) A 5.13_828.58 842.5917 5.106 [M+HCOO]- A C44H82NO8P YPAZQMWFRMHBBM-CLKMJQEKSA-N PC (36:3) B 5.38_828.58 842.5917 5.508 [M+HCOO]- B GPCho(18:1(11E)/18:2(2E,4E)) C44H82NO8P YPAZQMWFRMHBBM-CLKMJQEKSA-N PC (36:4) A 4.81_826.56 840.5761 4.802 [M+HCOO]- A GPCho(16:0/20:4(5E,8E,11E,14E)) C44H80NO8P IIZPXYDJLKNOIY-JXPKJXOSSA-N PC (36:4) B 5.12_826.56 840.5761 4.986 [M+HCOO]- B GPCho(16:0/20:4(5E,8E,11E,14E)) C44H80NO8P IIZPXYDJLKNOIY-JXPKJXOSSA-N PC (37:2) 6.22_844.61 858.6233 6.228 [M+HCOO]- C45H86NO8P MCZUABDVGPPWPM-HJTCUGKVSA-N PC (37:4) 5.4_840.58 854.5918 5.458 [M+HCOO]- no MSMS C45H82NO8P QRPUCJXFPYFTMB-FBFLODOBSA-N PC (38:2) 6.49_858.62 872.6381 6.384 [M+HCOO]- GPCho(18:2(2E,4E)/20:0) C46H88NO8P KXXLFCAPKGRXBT-FMJYHZMHSA-N PC (38:3) 5.87_846.58 _5.99_856.61 846.5786 _870.623 6.02 [M+Cl]- _[M+HCOO]- C46H86NO8P OJHJKEBRZSDTTL-VHWCKNCUSA-N PC (38:4) 5.79_854.59 868.6074 5.795 [M+HCOO]- A GPCho(16:0/22:4(7Z,10Z,13Z,16Z)) C46H84NO8P PSVRFUPOQYJOOZ-QNPWAGBNSA-N PC (38:5) A 5.16_852.58 866.5922 5.108 [M+HCOO]- A GPCho(18:1(11E)/20:4(5E,8E,11E,14E)) C46H82NO8P YLWBKBDNHWQEFU-YJXJLLHLSA-N PC (38:5) B 5.18_852.58 866.5916 5.186 [M+HCOO]- B C46H82NO8P YLWBKBDNHWQEFU-YJXJLLHLSA-N PC (38:6) 4.95_850.56 864.5761 4.908 [M+HCOO]- GPCho(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46H80NO8P PLZBTDKJYHXIEW-DZUXOTHRSA-N PC (40:4) 6.29_882.62 896.6381 6.22 [M+HCOO]- GPCho(18:0/22:4(7Z,10Z,13Z,16Z)) C48H88NO8P QQIYXJBHMDYXHH-NMUBDWGHSA-N PC (40:5) A 5.76_880.61 894.623 5.845 [M+HCOO]- A GPCho(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) C48H86NO8P LJFKFKIYUJNFPZ-ZLFSCUDPSA-N PC (40:5) B 5.86_880.61 894.6219 5.995 [M+HCOO]- B C48H86NO8P LJFKFKIYUJNFPZ-ZLFSCUDPSA-N PC (40:6) A 5.12_878.59 892.6076 5.558 [M+HCOO]- A C48H84NO8P FYVNIFOYDIIODX-KNKJIUSSSA-N PC (40:6) B 5.43_868.56 _5.55_878.59 868.5622 _892.6076 5.551 [M+Cl]- _[M+HCOO]- B GPCho(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C48H84NO8P FYVNIFOYDIIODX-KNKJIUSSSA-N PC (40:7) 4.88_876.58 890.5905 4.846 [M+HCOO]- C48H82NO8P BPUROMFCPFGBOT-ZEGPSQTJSA-N PC (40:8) 4.59_874.56 888.5756 4.558 [M+HCOO]- GPCho(20:4(5E,8E,11E,14E)/20:4(5E,8E,11E,14E)) C48H80NO8P BFCSBEFTXQRIOJ-IMYLGOOQSA-N PC (o-32:0) 6.04_764.58 778.5936 6.029 [M+HCOO]- C40H82NO7P SVWBXNAUENUONE-LDLOPFEMSA-N PC (p-32:0) or PC (o-32:1) 5.97_762.56 776.5801 5.934 [M+HCOO]- C40H80NO7P KEVGQWGZKKFGDC-JCUPVDEDSA-N PC (p-34:0) or PC (o-34:1) 6.08_790.6 804.6124 6.087 [M+HCOO]- no MSMS C42H84NO7P QCGUXAIDEOWPBV-SNKLRXETSA-N PC (p-34:1) or PC (o-34:2) A 5.56_788.58 802.5962 5.568 [M+HCOO]- A no MSMS C42H82NO7P MBRHHFWRXQYYAN-RTVLTNFHSA-N PC (p-34:1) or PC (o-34:2) B 6.05_788.58 802.5968 5.987 [M+HCOO]- B C42H82NO7P MBRHHFWRXQYYAN-RTVLTNFHSA-N PC (p-34:2) or PC (o-34:3) 5.51_786.56 800.5804 5.384 [M+HCOO]- no MSMS C42H80NO7P QLEHHUPUHJPURI-PWYDUFMYSA-N PC (p-36:1) or PC (o-36:2) 6.3_816.61 830.6276 6.236 [M+HCOO]- C44H86NO7P ZOTYCHIFTCFAHC-KOUVQCMKSA-N PC (p-36:2) or PC (o-36:3) 5.66_814.6 828.611 5.601 [M+HCOO]- no MSMS C44H84NO7P DIHWZUCEXWUHOD-IIVNATNGSA-N PC (p-36:3) or PC (o-36:4) 5.51_812.58 826.5968 5.458 [M+HCOO]- no MSMS C44H82NO7P SOUZQPFUXRVDGK-KCTKZSJBSA-N PC (p-36:4) or PC (o-36:5) A 5.23_800.84 814.554 5.046 [M+Cl]- A no MSMS C44H80NO7P IOYKZPNDXIIXLN-LOQSCQKMSA-N PC (p-36:4) or PC (o-36:5) B 5.4_810.57 824.5811 5.26 [M+HCOO]- B no MSMS C44H80NO7P IOYKZPNDXIIXLN-LOQSCQKMSA-N PC (p-38:3) or PC (o-38:4) 6.13_840.61 854.6281 6.136 [M+HCOO]- GPCho(17:0/20:4(5E,8E,11E,14E)) C46H86NO7P GWBOVQHRCURSPU-QMFAPAEZSA-N PC (p-38:4) or PC (o-38:5) A 5.55_838.6 852.6124 5.491 [M+HCOO]- A no MSMS C46H84NO7P DBQMOXDLWKVKKG-REWQMPQJSA-N PC (p-38:4) or PC (o-38:5) B 5.88_838.60 852.6119 6.02 [M+HCOO]- B C46H84NO7P DBQMOXDLWKVKKG-REWQMPQJSA-N PC (p-38:5) or PC (o-38:6) 5.32_836.58 850.5957 5.316 [M+HCOO]- C46H82NO7P ATTCDOPAYPGSLE-LQULQHAGSA-N PC (p-40:3) or PC (o-40:4) 6.66_868.64 882.6584 6.759 [M+HCOO]- C48H90NO7P PE (32:1) 5.27_688.49 688.4916 5.28 [M-H]- C37H72NO8P CZOSTDZGCCEZTJ-WMHOIYFHSA-N PE (34:1) 5.93_716.52 716.5236 5.892 [M-H]- C39H76NO8P FHQVHHIBKUMWTI-OTMQOFQLSA-N PE (34:2) 5.4_714.51 714.5079 5.276 [M-H]- GPEtn(16:0/18:2(2E,4E)) C39H74NO8P HBZNVZIRJWODIB-NHCUFCNUSA-N PE (34:3) 4.89_712.49 712.4918 4.863 [M-H]- C39H72NO8P SSRRIJSEUKHYFB-DFCPKGTFSA-N PE (36:1) 5.73_744.55 744.5548 5.676 [M-H]- no MSMS C41H80NO8P JQKOHRZNEOQNJE-ZZEZOPTASA-N PE (36:2) 6.03_742.54 742.5392 6.045 [M-H]- GPEtn(18:0/18:2(2E,4E)) C41H78NO8P MWRBNPKJOOWZPW-CLFAGFIQSA-N PE (36:3) 5.43_740.52 740.523 5.351 [M-H]- GPEtn(18:1(11E)/18:2(2E,4E)) C41H76NO8P DOILLFCKSSPXMF-ZKZIFNJMSA-N PE (36:4) 5.3_738.51 738.5079 5.166 [M-H]- GPEtn(16:0/20:4(5E,8E,11E,14E)) C41H74NO8P DUQDVNACTOXOJA-KTKXOIIHSA-N PE (38:2) 5.88_770.57 770.5705 5.841 [M-H]- GPEtn(18:2(2E,4E)/20:0) C43H82NO8P CLPMAPXZURYSNH-CNBLIUODSA-N PE (38:4) A 5.11_766.54 766.5392 5.138 [M-H]- A GPEtn(18:0/20:4(5E,8E,11E,14E)) C43H78NO8P ANRKEHNWXKCXDB-BHFWLYLHSA-N PE (38:4) B 5.93_766.54 766.5392 5.934 [M-H]- B no MSMS C43H78NO8P ANRKEHNWXKCXDB-BHFWLYLHSA-N PE (38:6) 5.11_762.51 762.5079 4.985 [M-H]- GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C43H74NO8P VRBJSZDBPQLNEM-PFTGJCAASA-N PE (38:7) 4.60_760.49 760.4918 4.61 [M-H]- C43H72NO8P PMUXXFUNXMXIFC-OOPCQFHCSA-N PE (40:6) 4.96_790.54 790.5392 5.058 [M-H]- no MSMS C45H78NO8P FEABWDMFZNBFCT-KUVQHVNNSA-N PE (40:8) 4.73_786.51 786.5076 4.739 [M-H]- PE (p-34:1) or PE (o-34:2) 6.26_700.53 700.5277 6.228 [M-H]- PE(P-16:0/18:1(11E)) C39H76NO7P PE (p-34:2) or PE (o-34:3) 5.72_698.51 698.5127 5.684 [M-H]- PE(P-16:0/18:2(2E,4E)) C39H74NO7P PE (p-36:1) or PE (o-36:2) 6.96_728.56 728.5594 6.867 [M-H]- PE(P-18:0/18:1(11E)) C41H80NO7P PE (p-36:2) or PE (o-36:3) 6.43_726.54 726.5443 6.309 [M-H]- PE(P-18:0/18:2(2E,4E)) C41H78NO7P XVXISDREVDGQPX-PISDLAQISA-N PE (p-36:4) or PE (o-36:5) 5.55_722.51 722.513 5.559 [M-H]- PE(P-16:0/20:4(5E,8E,11E,14E)) C41H74NO7P UUYSKERSKRMYME-MAIXUNBTSA-N PE (p-36:5) or PE (o-36:6) 5.13_720.5 720.4974 5.027 [M-H]- PE(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) C41H72NO7P RLLOITCRNQRGJD-DFAKUSJGSA-N PE (p-38:2) or PE (o-38:3) 7.11_754.58 754.575 7.016 [M-H]- C43H82NO7P PE (p-38:3) or PE (o-38:4) 6.56_752.56 752.5594 6.273 [M-H]- C43H80NO7P PE (p-38:4) or PE (o-38:5) 6.26_750.54 750.5443 6.253 [M-H]- PE(P-18:0/20:4(5E,8E,11E,14E)) C43H78NO7P URPXXNCTXCOATD-FXMFQVEGSA-N PE (p-38:5) or PE (o-38:6) 5.65_748.53 748.5287 5.618 [M-H]- no MSMS C43H76NO7P KCNBSSYOJRUKOM-JALPNNRCSA-N PE (p-38:6) or PE (o-38:7) 5.41_746.51 746.513 5.286 [M-H]- PE(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C43H74NO7P WVGALBKSWOUIEZ-XNHMFJFDSA-N PE (p-40:4) or PE (o-40:5) 6.89_778.58 778.5752 6.879 [M-H]- PE(P-20:0/20:4(5E,8E,11E,14E)) C45H82NO7P PE (p-40:5) or PE (o-40:6) 6.3_776.56 776.5605 6.27 [M-H]- C45H80NO7P PE (p-40:6) or PE (o-40:7) 6.1_774.54 774.5443 6.054 [M-H]- PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C45H78NO7P FIJFPUAJUDAZEY-MNDXXDKYSA-N PE (p-40:7) or PE (o-40:8) 5.48_772.53 772.5281 5.351 [M-H]- C45H76NO7P PG (34:2) A 4.32_745.50 745.5023 4.439 [M-H]- C40H75O10P VCYYBLIRAQBPTM-GDNUZSQHSA-N PG (40:8) 3.89_817.50 817.5019 4.007 [M-H]- C46H75O10P GMXYXYLCBAOPHA-KNVYJNGISA-N PI (32:1) 4.47_807.5 807.5028 4.336 [M-H]- C41H77O13P RNXWIPLNUTUDRT-YHSIYXGOSA-N PI (34:2) 4.6_833.52 833.5186 4.158 [M-H]- GPIns(16:0/18:2(2E,4E)) C43H79O13P ZPUUVEHXYAPJAQ-KOHXHNRGSA-N PI (36:2) 5.16_861.55 861.5499 4.658 [M-H]- GPIns(18:0/18:2(2E,4E)) C45H83O13P KZVRAFHIKMDULK-PDPKURFXSA-N PI (36:4) 4.48_857.52 857.5186 4.386 [M-H]- GPIns(16:0/20:4(5E,8E,11E,14E)) C45H79O13P WPXXYOUAQYYXER-BFRKKRKTSA-N PI (38:4) 5.07_885.55 885.5499 4.558 [M-H]- GPIns(18:0/20:4(5E,8E,11E,14E)) C47H83O13P KRTOMQDUKGRFDJ-MWZLTEOLSA-N SM (d32:1) 4.26_719.53 733.5496 4.316 [M+HCOO]- no MSMS C37H75N2O6P KYICBZWZQPCUMO-PSALXKTOSA-N SM (d33:1) 4.56_733.55 747.5653 4.453 [M+HCOO]- no MSMS C38H77N2O6P LQINJRUGTUOHGS-YPDYIYJKSA-N SM (d34:0) 5.16_749.58 763.5966 5.035 [M+HCOO]- C39H81N2O6P QHZIGNLCLJPLCU-QPPIDDCLSA-N SM (d34:1) 4.8_747.57 761.5809 4.785 [M+HCOO]- C39H79N2O6P RWKUXQNLWDTSLO-GWQJGLRPSA-N SM (d34:2) 4.35_745.55 759.5653 4.415 [M+HCOO]- no MSMS C39H77N2O6P YLWSJLLZUHSIEA-CKSUKHGVSA-N SM (d36:1) 5.42_765.57 _5.56_775.6 765.5673 _789.6128 5.568 [M+Cl]- _[M+HCOO]- no MSMS C41H83N2O6P LKQLRGMMMAHREN-YJFXYUILSA-N SM (d36:2) 4.87_763.55 763.5534 4.885 [M+Cl]- Accurate Mass Match/noMSMS Isotope pattern matches [M+Cl]- C41H81N2O6P NBEADXWAAWCCDG-QDDWGVBQSA-N SM (d38:0) 6.36_805.64 819.6563 6.209 [M+HCOO]- C43H89N2O6P UGRZESKDAPEULH-ACEXITHZSA-N SM (d38:1) 6.11_793.60 _6.27_803.63 793.5987 _817.644 6.286 [M+Cl]- _[M+HCOO]- no MSMS C43H87N2O6P AADLTHQNYQJHQV-SVLGDMRNSA-N SM (d39:1) 6.63_817.64 831.6571 6.576 [M+HCOO]- C44H89N2O6P YXSZOBWVQJIWNE-LUJNSPTCSA-N SM (d40:0) 7.26_833.67 847.6905 7.239 [M+HCOO]- C45H93N2O6P FONAXCRWZQFJHY-JCGOJSMZSA-N SM (d40:1) 6.80_821.63 _6.97_831.66 821.6302 _845.6748 6.925 [M+Cl]- _[M+HCOO]- C45H91N2O6P FJJANLYCZUNFSE-QVMKKYBKSA-N SM (d40:2) A 6.11_829.64 843.658 6.223 [M+HCOO]- A C45H89N2O6P FOULCGVQZYQEQM-DNXGLLHMSA-N SM (d40:2) B 6.35_829.64 843.658 6.329 [M+HCOO]- B C45H89N2O6P VBFKEZGCUWHGSK-ADSSWVSQSA-N SM (d41:1) 7.13_835.64 _7.22_845.67 835.6439 _859.6893 7.259 [M+Cl]- _[M+HCOO]- C46H93N2O6P SXZWBNWTCVLZJN-NMIJJABPSA-N SM (d41:2) 6.51_833.63 _6.72_843.66 833.6282 _857.6745 6.659 [M+Cl]- _[M+HCOO]- no MSMS C46H91N2O6P JBDGKEXQKCCQFK-JWQIMADESA-N SM (d42:0) 7.69_861.71 875.7218 7.609 [M+HCOO]- C47H97N2O6P SMJLGESYPKPRNU-CRCOQUFZSA-N SM (d42:1) 7.45_849.66 _7.62_859.69 849.6615 _873.7061 7.607 [M+Cl]- _[M+HCOO]- C47H95N2O6P QEDPUVGSSDPBMD-XTAIVQBESA-N SM (d42:2) A 6.76_847.65 _6.93_857.67 847.6463 _871.69 6.859 [M+Cl]- _[M+HCOO]- A no MSMS C47H93N2O6P DACOGJMBYLZYDH-GXJPFUDISA-N SM (d42:2) B 6.90_857.67 871.69 7.019 [M+HCOO]- B C47H93N2O6P DACOGJMBYLZYDH-GXJPFUDISA-N SM (d42:3) A 6.19_845.63 845.6299 5.873 [M+Cl]- no MSMS, isotope pattern matches [M+Cl]-, RT matches [M+HCOO]- C47H91N2O6P TXFLWJQVQCDUDZ-BRUGZULGSA-N SM (d42:3) B 6.35_855.66 869.6754 6.293 [M+HCOO]- no MSMS C47H91N2O6P TXFLWJQVQCDUDZ-BRUGZULGSA-N SM (d43:1) 7.67_873.70 887.7172 7.824 [M+HCOO]- C48H97N2O6P LXMARZYBSFYVSY-KUQVZNNZSA-N SM (d43:2) 7.23_871.69 885.7061 7.108 [M+HCOO]- C48H95N2O6P PBROMOQAZGFDHQ-GPQOMLTASA-N CSH_negESI #109 8.24_697.61 697.6093 8.181 CSH_negESI #113 8.53_711.62 711.6257 8.497 CSH_negESI #120 5.56_843.58 843.5818 5.561 CSH_negESI #223 A 5.02_325.18 325.1844 4.886 CSH_negESI #223 B 5.02_339.2 339.2007 4.877 M+CH2 CSH_negESI #275 5.72_1564.15 1564.151 5.676 CSH_negESI #376 8.6_707.61 707.613 8.497 CSH_negESI #378 7.93_709.61 709.6097 7.824 some adduct of Cer(d42:2) CSH_negESI #387 5.03_841.57 841.5674 4.894 CSH_negESI #397 6.08_810.53 810.5276 6.045 CSH_negESI #405 4.7_759.57 759.5653 4.569 no MSMS CSH_negESI #524 1.46_480.31 480.3094 1.596 CSH_negESI #527 1.65_478.29 478.2934 1.802 CSH_negESI #530 1.73_436.28 436.2827 1.893 CSH_negESI #573 4.26_813.54 813.5371 4.424 CSH_negESI #584 4.47_774.53 774.5279 4.444 CSH_negESI #586 4.53_836.54 836.5433 4.486 CSH_negESI #589 4.66_790.52 790.5178 4.666 Isotope pattern matches [M+Cl]- CSH_negESI #593 4.64_850.56 850.5604 4.561 CSH_negESI #598 4.76_687.55 687.5446 4.785 CSH_negESI #599 4.76_737.54 737.5368 4.777 CSH_negESI #600 4.76_815.55 815.5531 4.777 Believed to be [M+HCOO]-, co-elutes with 805.5240 CSH_negESI #615 4.87_681.51 681.5062 4.885 CSH_negESI #624 4.97_816.53 816.5317 4.977 CSH_negESI #627 4.98_911.56 911.562 5.018 CSH_negESI #628 5.02_734.53 734.5339 5.056 CSH_negESI #631 5.07_746.51 746.5129 5.285 CSH_negESI #632 5.05_788.52 788.5232 5.06 CSH_negESI #668 5.74_736.53 736.5294 5.9 CSH_negESI #690 5.88_796.58 796.5842 6.02 CSH_negESI #695 6.16_819.61 819.6099 6.226 CSH_negESI #706 6.21_822.58 822.5805 6.301 CSH_negESI #713 6.40_744.55 744.5535 6.509 CSH_negESI #722 6.56_802.57 802.5715 6.675 CSH_negESI #723 6.46_818.64 818.6385 6.575 CSH_negESI #724 6.53_869.67 869.6719 6.639 CSH_negESI #733 6.80_771.64 771.6382 6.925 CSH_negESI #743 7.01_859.69 859.6907 7.15 CSH_negESI #749 7.14_680.58 680.5757 7.249 CSH_negESI #750 7.13_690.60 690.6034 7.241 CSH_negESI #762 7.35_700.60 700.6028 7.459 CSH_negESI #764 7.46_799.67 799.669 7.599 CSH_negESI #767 7.94_684.61 684.6068 8.049 CSH_negESI #770 8.03_702.62 702.6162 8.159 CSH_negESI #773 8.28_672.61 672.6066 8.406