metabolite_name A_duod C_duod D_duod E_duod F_duod G_duod A_ileum C_ileum D_ileum E_ileum F_ileum G_ileum A_colon C_colon D_colon E_colon F_colon G_colon A_rectum C_rectum D_rectum E_rectum F_rectum G_rectum 1_ISTD Ceramide (d18:1/17:0) A 122750 108395 122945 123453 121413 118672 113898 130806 122659 101798 147717 115065 74584 102842 94649 96252 89076 114396 86194 106381 98121 106604 104471 82678 1_ISTD Ceramide (d18:1/17:0) B 301413 313731 235689 290684 247218 262711 285549 65603 118574 52102 88419 167269 127661 72591 109853 99653 64495 67180 110300 59040 82656 83582 83272 90693 1_ISTD CUDA 33638 50871 25258 25263 34026 26838 37093 14147 29263 18904 19058 21043 12562 10444 15924 17656 10208 11541 12334 19116 14306 15644 16881 16989 1_ISTD FA (16:0)-d3 2334137 3206208 2634702 2841547 2625991 2623677 2280819 2914683 2454997 2357793 2707876 2304161 2363921 2641078 2718710 2749157 2249627 2506947 2649482 2235005 2581964 2546764 2655155 2467672 1_ISTD LPC (17:0) A 2394 2001 1574 2159 1745 1985 2059 1544 1854 1255 1744 1651 1962 1190 1694 1382 1376 1147 1503 903 1394 1226 1232 1381 1_ISTD LPC (17:0) B 31965 36149 26961 30435 31300 31465 24890 25172 23305 19837 24519 22224 18909 22934 23576 24865 17836 21545 22015 20112 22404 22395 23098 22058 1_ISTD LPE (17:1) 20808 27464 19346 22988 20457 21225 21135 23262 17982 16656 21941 20775 20375 18880 19794 19425 15996 17364 19643 15411 17880 18974 18307 17415 1_ISTD MG (17:0/0:0/0:0) 351942 435074 318563 387646 330578 338697 343502 363676 319734 275456 359424 333389 321487 299255 341381 331851 245957 292438 312270 260004 305827 313588 314664 306089 1_ISTD PC (12:0/13:0) 2141 2883 2174 2541 2143 2185 2347 2481 2307 2005 2295 2020 2641 2133 2356 2343 1869 2180 2247 1984 2008 2272 2161 2333 1_ISTD PE (17:0/17:0) 14202 25748 14058 20405 12036 17830 14759 16598 12111 18618 14378 11129 13763 14628 13658 13046 12864 13013 12269 13465 12271 12714 18233 14159 1_ISTD PG (17:0/17:0) 590256 877026 609243 792796 650969 696768 504860 189362 167259 141318 183122 196774 122652 125219 123021 123804 93129 134981 99989 129940 99819 125913 121890 99323 1_ISTD SM (d18:1/17:0) A 58713 84269 59265 79695 63350 67792 47349 16961 14813 12670 16489 17814 12000 11764 11424 11232 8617 12707 9036 11866 9373 11012 11186 9192 1_ISTD SM (d18:1/17:0) B 2812 215 617 726 4077 226 2121 1574 1767 1576 1622 1404 2066 1415 2121 2013 1275 1628 1707 1309 1346 1516 1579 1527 Ceramide (d32:1) 80035 25651 30583 38927 28763 37397 83202 9139 16138 8734 33855 62484 67295 5958 32501 5966 23173 878 46069 1538 12107 2735 6556 5138 Ceramide (d33:1) 237032 46519 53207 69650 57418 57574 113601 23296 52949 22865 39441 58594 103012 6050 158503 29177 191926 4166 350311 3439 53056 13457 82577 28337 Ceramide (d34:0) 79009 67917 74176 72741 75387 59341 278057 30931 72248 30635 110178 118396 63948 14954 40020 41899 24910 10373 249446 11509 24187 31609 21831 35624 Ceramide (d34:1) 2566110 1255852 1471711 1872036 1568261 1577311 2097953 266589 838960 245573 749590 1149274 985320 218756 546903 310807 373581 75993 609707 100839 277296 256024 255610 355176 Ceramide (d34:2) 148904 21462 34560 36387 29460 31272 189987 15646 44310 24662 81128 217677 227415 10794 64409 23000 29245 2335 40489 1771 35338 8194 12255 6368 Ceramide (d36:1) 652770 677159 368807 611458 348073 564247 441587 362190 106840 256740 596765 755784 772200 141972 341963 193074 208153 29172 376256 34128 179576 70773 93504 82107 Ceramide (d38:1) 202265 100835 115330 191766 123231 119353 126646 29462 22963 21057 43115 37780 63843 15825 40523 18959 27496 3153 37245 7592 18664 11545 13969 15236 Ceramide (d39:1) 80643 19709 18415 27643 23656 32525 20993 3428 4393 3407 3496 6555 6598 1178 9415 4491 1134 495 1949 671 3980 1378 906 1747 Ceramide (d40:0) 11312 6878 7545 6854 6582 6451 11214 49491 11776 29539 79833 150651 735260 114131 381230 254311 88749 29258 272909 1865 176754 67654 68790 122131 Ceramide (d40:1) 224496 81078 94801 116639 93829 106311 130968 16210 38746 9393 36202 44444 19817 6586 16206 13459 9844 3799 17926 7768 9064 15525 11267 20393 Ceramide (d40:2) 30889 6815 10528 11540 9039 8847 29272 778 3716 1004 1653 4670 4999 585 3544 1614 1148 416 1741 226 1412 1590 525 1804 Ceramide (d41:1) 328047 92146 89784 101359 99179 140073 119654 16675 39756 5443 23334 54243 22576 5531 14413 14438 5955 3020 13545 5426 7816 15531 5626 17590 Ceramide (d42:0) 8301 9414 12938 8994 8546 8693 14605 4955 16868 6883 12952 8297 34668 10398 16918 17325 14386 7648 9468 2703 15282 6240 8484 12426 Ceramide (d42:1) 259859 151836 152513 173460 126493 154739 220110 24469 103159 11663 87400 99090 43530 13117 40107 34418 19276 6843 35330 11641 23075 38712 20548 47297 Ceramide (d42:2) A 304055 144305 223655 230181 185255 213503 445593 27655 119080 25097 101174 123668 44220 8764 31704 21122 15969 7618 21392 11617 14900 28131 10947 33091 Ceramide (d42:2) B 113273 12130 119553 116861 107767 111709 152939 16427 12268 17358 60235 54340 7795 568 2062 5506 10090 6097 10021 887 1224 15456 1506 14849 Ceramide (d43:1) 59977 22582 16814 26224 17460 34590 16396 3192 15631 1784 6977 10334 12077 3062 6536 8732 2902 1671 6095 1978 4342 5257 4496 8746 Ceramide (d44:1) 24898 24735 32675 34607 22510 31497 45357 6732 28530 5370 23124 23058 19086 4003 21896 15093 7252 2567 10575 3167 10748 9438 8447 14047 FA (16:0) 3096908 2282114 1512653 2448550 1826391 2303559 4059662 1300446 2470667 1269996 2001145 3647403 3161189 1205698 1490869 1292039 1353457 1177286 1430034 963844 1258821 1691146 1050300 1652984 FA (16:1) 223710 89857 90474 109294 56894 113207 934216 37034 537370 38412 142921 763277 461368 36813 120337 86473 90125 43114 95810 33423 117498 136249 50437 118270 FA (18:0) 7863694 6241769 5015755 6715580 5891090 6315382 6788484 4301424 4768049 3928888 5149876 7153866 6012832 2885875 3565779 3172770 2841911 3072506 3382166 2310539 3197677 3415224 2633017 3390295 FA (18:1) 4757854 2797224 2093206 3546734 2326119 3164992 5912472 1250305 4633637 1342521 2385346 4357252 3230511 903718 1966662 2345791 1531514 1401093 2093628 1220334 1836086 2990606 1394060 2731902 FA (18:2) 8456121 5292745 3881284 6722063 5947238 6039245 7776720 2326237 5038744 2092967 3812927 6229103 4757232 1117660 1804173 1842021 1962272 1429182 2432562 920598 1887726 2243174 1440543 2726710 FA (20:4) 8322617 4052919 3420868 5580789 4733341 4681473 8754195 2303018 5253754 2479998 4533358 6236770 6528541 402363 1578361 460841 1773002 573894 1404647 74836 1960261 1263526 490137 853716 FA (22:4) 786583 204952 172194 310795 324944 241967 1419976 521676 538688 508290 890220 976350 1283809 131106 381297 319291 224683 82769 433295 87193 245910 268788 143187 245504 GlcCer (d38:1) 4034 3661 6300 5220 7075 4791 1787 282 751 137 425 760 594 212 1012 464 446 650 456 936 610 521 393 542 GlcCer (d40:1) 6807 2499 6756 4878 7669 5137 3703 398 2307 296 585 610 1223 581 1051 1799 563 1433 1518 1569 1094 1809 1146 1486 GlcCer (d41:1) 7822 4073 5558 4274 7049 4752 2786 242 814 248 446 778 737 255 1056 457 474 996 525 1159 530 459 427 587 GlcCer (d42:1) 6145 4528 7795 4459 7079 4670 3459 297 1744 313 1332 1497 941 339 3325 589 759 1545 758 2533 2208 603 467 1010 GlcCer (d42:2) 1857 1873 3259 2114 3027 2103 2909 265 1030 270 1897 764 1044 409 2065 668 618 1160 723 984 1719 584 752 1221 GlcCer(d14:1(4E)/20:0(2OH)) 1984373 1192503 1653181 606033 2016874 1625957 319147 15767 135741 6423 56713 118707 63902 4936 311337 70502 27971 87967 36555 33509 115079 29507 31041 74851 LPC (16:0) 371557 228440 98703 171153 165811 185763 345744 17865 174606 15779 101519 93959 49077 1798 7971 8917 2356 8226 3679 2422 38256 9650 3459 4102 LPC (16:1) 2281 6050 1807 782 542 2913 4649 456 3960 423 1242 1914 1155 288 453 175 375 228 340 164 2302 378 328 630 LPC (18:0) A 981804 451903 367198 498836 628175 522951 720945 37428 390175 27038 216614 210219 154833 2086 13725 8348 3034 13239 3267 2053 58432 13388 3129 3118 LPC (18:0) B 977027 450390 366205 503366 624625 522547 717669 37636 390162 27058 215834 213926 155603 2085 13739 8348 3071 13265 3377 2032 59247 13200 3080 3240 LPC (18:1) 102834 74085 29893 52566 35166 69958 105923 4980 42775 4160 32785 33660 9987 903 3393 4557 516 4570 2670 1361 7297 5600 2294 2437 LPC (18:2) A 1960 2803 1606 1538 722 2721 1115 647 117 268 461 62 66 90 161 245 207 LPC (18:2) B 61075 88907 43399 56201 16670 104967 20140 1644 14508 1074 9283 3506 2897 562 778 546 580 2983 2177 804 2434 2758 1505 1875 LPC (18:2) C 63035 91710 45005 57739 17392 107688 21255 1644 15155 1191 9551 3967 2897 624 778 546 580 3049 2267 965 2434 3003 1712 1875 LPC (20:1) 3204 1648 1028 2002 1951 2159 4219 449 1844 473 1637 1658 1278 513 358 384 145 339 509 73 358 419 205 170 LPC (20:2) 3132 2298 846 1988 1535 2443 3470 187 1216 227 922 1231 291 104 87 100 102 152 98 52 119 236 67 37 LPC (20:3) 3003 3355 1293 1679 911 4048 3980 806 195 431 2818 2377 917 88 470 202 345 253 118 193 88 268 130 61 LPE (16:0) 60775 24575 21979 54282 64173 34570 29119 2503 13325 64 5987 10137 30163 1362 22103 3952 12883 7946 6127 1472 18032 3764 5121 3966 LPE (18:2) 21506 89985 32437 40370 11581 59300 9138 288 4062 173 1163 4312 3197 575 3300 1352 2554 1376 1610 744 2462 1442 2200 1006 LPE (20:4) 69729 68108 80546 71055 44164 94508 68439 201 9413 215 278 6764 1468 273 4023 3905 2775 628 2373 2407 1544 3740 6464 2937 LPE (22:6) 2208 2634 5051 2561 3253 3364 1059 159 66 250 93 55 56 86 90 PC (32:0) 14838 28044 14998 29515 22593 18436 32273 2336 4374 3544 11325 14741 3580 541 1441 2368 376 653 4493 272 456 1531 323 582 PC (32:1) 5461 13630 5334 6569 4479 5712 8241 280 1431 54 1078 2395 1455 655 1223 715 788 803 873 252 750 478 360 572 PC (32:2) 3830 6960 5491 7603 5087 9608 744 162 290 141 2633 299 20125 4799 218 271 4668 3794 8223 101 212 208 174 380 PC (33:1) 1915 1366 789 2714 2166 2343 1664 85 5562 74 359 823 278 701 1049 1845 782 1169 1168 606 851 1557 1457 1241 PC (33:2) 526 328 2186 3062 2729 194 1688 47 182 45 136 438 125 63 151 896 115 618 121 68 101 103 263 153 PC (34:0) 7957 10934 7833 22799 7463 13350 10514 864 2758 868 3339 6001 4317 495 990 1465 831 650 1096 754 872 1352 634 763 PC (34:1) 43468 128958 55806 87166 45202 61620 89980 2338 20649 3057 19346 25125 9723 2081 3285 7135 3141 713 4183 3497 3659 5243 4431 4023 PC (34:2) 140219 489101 154393 221536 156983 183941 85472 561 17968 553 1301 20152 3223 882 4167 2186 1993 1186 3606 3191 1241 1130 1555 1061 PC (34:3) 1182 26216 2942 1427 1986 4681 2883 176 860 128 408 1102 1615 1720 341 6787 336 289 4197 1231 355 334 359 394 PC (34:4) 570 1641 404 387 388 514 1113 179 522 288 2430 333 11687 103 3558 1351 1389 320 4175 105 1766 1044 126 1744 PC (35:1) 1345 3353 2027 2296 1649 2241 1777 68 761 103 220 773 259 167 99 224 249 129 381 137 182 167 123 114 PC (35:2) 8454 15203 11575 12463 11289 12336 3132 128 4450 134 246 952 990 555 956 1009 1050 1822 966 287 726 988 1035 1192 PC (35:4) 2372 435 2403 4187 2423 3995 2432 44 156 72 264 132 124 129 124 187 166 640 141 581 114 839 924 172 PC (36:1) 46667 87591 62359 66449 46617 67009 36694 1038 9168 1202 6646 9636 4840 519 1244 1760 995 889 842 805 1515 1461 1160 911 PC (36:2) 463462 676808 534707 550794 479454 527669 126569 3394 25668 2482 16977 30381 8143 652 1788 2783 1338 1488 1506 891 680 2093 1250 1230 PC (36:3) A 12370 13898 9680 10171 8431 8979 6964 74 1289 117 53 1360 652 91 122 193 91 89 63 92 161 224 172 57 PC (36:3) B 9961 28089 89 13005 10921 10196 3781 25 41237 294 2494 6999 8951 5065 4205 14563 5625 8010 8792 5237 2655 12218 10022 6631 PC (36:4) A 14272 61372 21098 36096 21274 31962 20108 333 11778 266 659 4302 2187 3100 2937 9470 3137 6372 10168 5606 1881 8769 9358 6980 PC (36:4) B 131559 123635 73788 89512 72587 74598 60514 408 10388 332 1774 12504 12399 1340 4143 5497 1501 684 5584 456 1588 766 663 1659 PC (36:5) A 269 36060 1398 1108 696 4042 52 68 469 40 130 73 328 284 277 750 259 534 776 635 191 830 1015 616 PC (36:5) B 1093 3784 2691 2114 2056 1393 1657 44 720 71 141 506 322 102 130 423 70 61 164 59 241 188 137 177 PC (37:2) 3771 5034 3293 3865 3111 4813 1245 89 183 65 143 304 108 59 405 133 158 875 162 549 131 119 128 371 PC (37:4) 6126 1121 600 2875 3610 18901 1469 85 8893 81 181 1107 768 111 1569 397 556 229 141 271 802 149 286 559 PC (38:2) 3269 4040 2932 3902 2822 3629 2925 116 663 122 391 611 290 151 89 139 61 137 178 132 140 135 132 176 PC (38:3) 80720 118276 81106 88105 83489 82827 37090 808 6128 615 5669 9952 2362 533 790 1161 729 1041 740 746 646 1124 784 789 PC (38:4) 455469 171011 229306 217615 189188 181067 103909 813 17748 869 1968 19086 9411 410 1019 1312 677 659 800 483 1409 1097 912 442 PC (38:5) A 28150 30814 24324 31710 16956 22127 15486 106 3148 131 306 3310 1649 50 214 355 109 343 109 103 330 422 131 88 PC (38:5) B 3878 3343 5751 4926 2535 3747 2321 89 2721 140 329 2776 2096 161 245 315 206 187 179 48 284 154 743 181 PC (38:6) 11971 7948 4192 9198 6311 7430 16597 533 1206 50 1201 3595 820 75 883 222 51 188 75 122 533 45 50 196 PC (40:4) 10168 4610 4191 4913 4524 3505 6467 24 974 138 698 955 1629 73 118 176 97 89 126 87 199 88 111 47 PC (40:5) 7374 2946 4843 4440 3394 2545 4265 54 485 135 245 479 890 126 50 75 59 84 84 95 27 73 85 67 PC (40:6) A 132 76 103 34 31 26 121 55 58 37 36 64 121 49 71 17 30 76 50 PC (40:6) B 2840 244 2530 1231 236 207 1097 38 634 42 521 123 372 144 116 686 122 228 155 55 73 945 259 43 PC (40:6) C 2840 244 2530 1231 368 207 1173 141 668 73 547 244 427 202 153 722 186 349 204 126 90 975 335 93 PC (40:7) 420 3657 3090 262 187 3772 1274 21 247 18 121 237 88 104 63 478 20 153 105 108 36 101 67 73 PC (40:8) 16222 9184 19088 18303 17752 17228 3930 57 1207 45 47 810 235 110 83 95 68 161 116 67 99 99 75 89 PC (o-32:0) 1911 2276 1799 2448 2371 1761 4349 400 813 545 1079 904 782 246 243 374 307 320 283 260 309 397 320 163 PC (p-34:0) or PC (o-34:1) 4275 5611 2889 5670 3054 3521 9478 332 1506 599 1581 1644 1073 199 298 493 213 222 358 282 240 639 445 371 PC (p-34:1) or PC (o-34:2) 4252 3664 4013 5410 4786 3774 3235 133 457 82 194 761 337 411 338 602 410 296 681 316 247 386 336 316 PC (p-34:2) or PC (o-34:3) 1330 1466 1258 4216 1870 1320 93 80 930 82 77 160 1016 198 1964 769 331 623 424 569 590 663 416 671 PC (p-36:1) or PC (o-36:2) 4617 5359 5122 6385 6208 4722 6845 24 1709 107 584 1297 1097 819 1149 1407 968 327 1103 1581 833 1288 2671 1572 PC (p-36:3) or PC (o-36:4) 10749 2942 2683 3222 3828 2871 13125 64 4403 102 128 1578 1132 284 640 1150 583 449 974 300 471 1601 1952 691 PC (p-36:4) or PC (o-36:5) 4517 2138 2616 3450 810 2487 3839 147 7912 56 1210 1177 8219 1909 2287 8986 1184 1421 4746 131 1615 394 2694 1638 PC (p-38:3) or PC (o-38:4) 7969 3831 4390 4473 3650 3115 15019 98 2512 105 210 2295 1313 201 1098 1117 651 207 1085 661 593 1247 2019 792 PC (p-38:4) or PC (o-38:5) A 12445 4678 3753 5308 4945 3932 13843 103 791 59 155 1524 1047 287 172 142 198 337 339 222 169 423 377 325 PC (p-38:4) or PC (o-38:5) B 1709 1229 1000 2501 1392 1163 2193 97 597 82 206 510 789 203 928 711 472 468 1177 627 618 614 1546 702 PC (p-40:3) or PC (o-40:4) 2299 1605 1543 3145 2041 2031 512 125 155 160 533 539 2351 44 477 165 55 464 110 468 261 139 104 328 PE (34:1) 10660 67772 32552 66869 26771 44688 18930 1496 1657 255 2861 3426 10318 2303 6454 3492 8198 1986 4807 2962 3733 1612 4002 6312 PE (34:2) 28915 189058 72870 151511 58232 114360 10190 4684 2943 218 718 6647 93623 9199 158722 48628 77954 13164 11778 4799 83158 6035 60426 10555 PE (36:2) 655176 1355139 975873 1246201 775263 1272373 146003 11928 16888 5775 8505 28503 2276 4369 4732 3133 5766 1601 9564 1268 1986 1263 1272 1335 PE (36:3) 32944 168560 81587 149157 51757 125277 18175 336 35114 316 764 6963 16071 6264 16300 9343 10990 8464 11040 3317 10587 5830 10023 6614 PE (36:4) 147375 267796 230777 271962 199110 209252 35749 3613 1727 4081 311 2135 8996 333 11578 1376 2257 629 1703 305 4617 844 211 518 PE (38:2) 7045 9767 8631 8757 7452 7280 1981 49 488 92 292 537 240 125 120 192 90 182 201 79 128 149 286 76 PE (38:4) A 1638 2220 988 1569 982 1242 1339 339 327 313 481 340 270 354 528 518 222 105 1004 130 210 160 184 271 PE (38:4) B 1023446 882617 1208209 1118630 945619 1004589 286283 1097 18096 902 1925 23573 1809 646 858 800 455 942 351 595 1133 783 750 383 PE (38:6) 5387 7796 6749 7231 3734 5059 1434 1476 198 1808 985 79 2725 183 559 95 1119 106 239 167 94 68 169 71 PE (40:6) 1210 5416 3722 803 3096 4709 4941 141 210 96 413 806 236 76 149 203 45 107 83 53 98 81 204 41 PE (44:3) 41828 56807 31216 61088 41047 37553 15115 67 3158 309 6729 10780 6847 1089 8084 2961 1493 3785 2334 9709 3611 2261 2154 3423 PE (p-34:1) or PE (o-34:2) 2978 6108 4249 7070 4475 5137 6648 197 1409 363 1015 2012 1189 164 609 729 700 305 480 88 444 451 462 418 PE (p-34:2) or PE (o-34:3) 2288 9101 2849 6505 2920 4501 2581 108 462 310 293 1867 1485 186 478 252 410 374 351 62 405 1368 718 1353 PE (p-36:1) or PE (o-36:2) 8430 17147 16969 22997 19613 19183 18682 522 4795 364 4305 5856 581 239 672 647 508 526 531 642 313 766 760 327 PE (p-36:2) or PE (o-36:3) 14959 35554 28044 45327 27144 25485 29089 798 4690 530 1987 5201 803 836 968 1432 899 403 879 977 614 1162 1557 804 PE (p-36:4) or PE (o-36:5) 17137 31117 22943 38537 27319 15729 32502 272 5774 500 135 3118 739 185 725 1049 253 449 220 198 362 940 506 355 PE (p-36:5) or PE (o-36:6) 1818 2335 1551 2567 1647 1273 2049 8562 599 8367 12030 9648 2228 2980 844 413 377 213 413 116 799 260 220 724 PE (p-38:2) or PE (o-38:3) 1698 1972 1516 1802 1856 1722 3741 162 335 120 1187 1510 588 293 394 875 460 213 566 151 169 401 458 850 PE (p-38:3) or PE (o-38:4) 58753 122826 12785 133710 49741 7218 115396 344 9550 260 635 19767 843 769 809 1071 330 321 687 573 385 1422 982 287 PE (p-38:4) or PE (o-38:5) 80769 69644 114084 151736 119687 72255 225987 325 27595 438 1323 23851 3144 2019 5043 7384 2893 1153 4496 2582 3377 6545 6331 2511 PE (p-38:5) or PE (o-38:6) 8805 12139 12338 21318 16078 8508 14546 52 4022 44 102 3656 1373 329 1348 1381 954 61 826 192 684 296 616 312 PE (p-38:6) or PE (o-38:7) 2620 3707 4385 3338 5221 2242 1164 4719 438 3133 11644 5373 1474 366 4844 469 655 321 621 150 351 195 315 214 PE (p-40:4) or PE (o-40:5) 2371 2046 2712 3193 2888 2034 5643 127 1635 170 432 1509 157 144 517 693 399 249 236 100 330 476 471 211 PE (p-40:5) or PE (o-40:6) 13880 10069 20655 30650 22744 7920 20322 171 4762 113 1145 2929 1434 167 427 628 387 243 393 63 196 446 335 36 PE (p-40:6) or PE (o-40:7) 5290 4942 8444 5905 8416 3552 3169 202 703 302 665 784 2941 153 292 1060 1238 200 351 120 307 177 688 274 PI (34:2) 12808 37492 30079 62520 42744 40832 9492 111 3242 118 191 466 437 524 761 814 186 1013 675 455 625 550 318 633 PI (36:2) 32981 161781 130729 206383 111117 152539 20804 275 6775 176 391 2721 224 361 526 369 144 717 214 349 530 404 320 297 PI (36:4) 47611 38952 77971 75 91339 156 9801 41 3035 106 186 639 29 80 63 68 62 49 48 79 350 53 37 75 PI (38:4) 464866 244259 554434 515755 535155 511144 56736 555 17677 409 1062 5280 600 456 903 756 325 2227 228 574 1249 751 634 314 SM (d32:1) 5704 461 5116 5738 4661 264 4982 94 1595 126 59 1262 235 111 363 1889 350 160 316 107 253 388 245 262 SM (d33:1) 4793 5009 2317 3646 2975 2637 3717 175 1908 175 430 1182 435 219 415 113 251 226 123 183 76 517 105 160 SM (d34:0) 1445 3876 2449 4039 2803 2648 4411 179 1860 409 1399 1567 848 249 758 1042 319 295 211 540 626 991 184 314 SM (d34:1) 130604 144479 156055 189409 174734 147258 102263 2234 39157 2241 15807 35073 4709 1237 4710 9713 1792 3464 2803 4584 3814 10146 3419 4173 SM (d34:2) 6326 2907 3408 2691 3175 157 5294 90 272 109 153 366 291 117 114 232 119 183 276 145 94 174 194 235 SM (d36:1) 20018 25328 21521 34522 25685 23271 12567 414 2501 422 1314 2823 1388 851 1615 1918 856 1161 1689 688 868 1394 574 1237 SM (d36:2) A 14988 5904 17457 21051 16317 6137 9467 382 4612 194 1014 2587 549 897 732 1564 1388 370 1322 313 595 1502 570 551 SM (d36:2) B 6767 60 65 215 8627 95 2111 258 26 37 1091 160 590 909 233 57 557 56 159 211 357 95 SM (d38:0) 1550 1658 1356 2569 1737 1292 682 230 133 135 170 275 146 103 186 388 83 120 526 179 518 108 225 118 SM (d38:1) 6282 13745 8752 11679 9903 7552 4743 256 1841 297 783 1343 902 1464 941 1037 423 229 338 644 607 989 477 301 SM (d39:1) 2810 2479 1637 2201 505 2061 1020 109 426 141 172 278 222 140 275 243 235 138 165 238 205 218 208 184 SM (d40:1) 12373 12311 11428 14312 12341 9913 8138 340 3001 421 989 1994 1385 708 1038 1364 731 730 951 686 952 1274 650 807 SM (d41:1) 16449 11770 3021 11908 12127 12035 7397 417 2525 205 836 1705 840 251 1041 1002 335 400 426 699 611 1098 574 650 SM (d41:2) 1293 1764 946 1569 939 2637 1001 68 1152 38 431 194 167 63 1042 337 139 143 138 128 135 318 578 280 SM (d42:0) 2312 2982 3019 3189 3027 2355 2200 98 586 64 327 550 136 130 239 369 124 91 94 90 175 182 225 95 SM (d42:1) 14405 17570 2973 21857 18077 13558 14191 525 4884 347 2013 4304 1126 547 1738 1539 488 1079 547 963 1161 1362 641 1062 SM (d42:2) A 3527 647 527 818 3469 2664 3689 57 1293 68 300 913 369 350 166 403 140 252 558 209 153 396 176 247 SM (d42:2) B 20345 16332 23161 20133 21830 19752 25151 437 9039 458 1224 5057 1281 382 1369 2865 331 1044 565 945 914 2506 521 1151 SM (d42:2) C 663 756 200 1125 54 665 4159 80 1033 88 45 1176 17 65 112 140 237 643 182 132 145 986 205 55 SM (d42:3) 232115 358767 272602 278804 242314 266823 65031 1708 13794 1417 8293 14967 4353 705 935 2135 721 923 1157 760 1108 1668 1298 628 SM (d43:1) 1364 1575 1422 1703 1435 1466 812 90 463 53 208 386 68 77 173 99 172 157 137 140 196 188 250 621 CSH_negESI #109 14678 7735 11415 10528 10883 12730 12713 2294 5264 974 3421 5220 4874 137 5370 4679 220 299 1467 974 2912 410 1049 4745 CSH_negESI #113 14057 12708 15723 16178 14080 14641 20038 1065 11287 1339 10502 11427 9540 309 1520 949 1050 489 2238 1977 1044 2693 1563 2772 CSH_negESI #120 1890 958 848 22450 352 875 21 11227 64 223 88 356 1181 90 229 113 130 539 1355 48 2661 3006 2015 CSH_negESI #131 49 314 144 462 82 126 7938 1674 1833 1218 138 1199 8640 24108 12971 14754 37494 38993 45987 34815 7070 42363 48658 55404 CSH_negESI #223 A 2588 2145 1753 1752 1457 2472 3332 3089 2348 2167 265 2934 2201 188 360 2531 2250 2001 1765 186 2606 1898 1621 1649 CSH_negESI #223 B 1242 1113 1027 185 1021 1116 1543 153 1268 1315 141 168 929 848 1125 1004 945 823 766 96 1144 938 709 111 CSH_negESI #376 1467 888 1209 1195 1107 1042 1442 268 565 251 887 778 311 240 392 436 324 239 341 231 354 396 386 469 CSH_negESI #377 1680 1420 1184 1435 1411 1427 1384 1691 723 1501 115 1839 1566 820 1348 886 1241 908 924 630 953 793 522 576 CSH_negESI #378 10242 6701 9928 9434 8951 9280 14838 1637 6173 2577 4367 1526 6741 1076 440 400 1553 1258 437 1516 1288 460 1425 1759 CSH_negESI #387 7080 56338 34766 17709 11095 35299 9687 201 5916 112 178 2146 1108 300 1624 2475 319 3107 5435 2725 403 4641 4884 3595 CSH_negESI #390 3806 3153 1213 2375 924 1858 5355 1210 1840 758 2442 4940 10872 1134 4397 3863 1541 679 3516 349 1786 1740 1460 3068 CSH_negESI #397 1870 2024 2011 1856 1996 1867 1077 119 436 120 219 589 98 214 150 137 125 78 284 30 94 193 166 122 CSH_negESI #405 6326 2907 3408 2691 3175 157 5294 40 288 109 153 366 293 116 137 243 119 184 116 122 246 232 212 201 CSH_negESI #504 135 62 61 93 66 21 147 607 76 27 36 336 1677 1138 2873 2358 1021 1931 2194 1095 1906 1772 208 1842 CSH_negESI #507 125 181 65 97 171 122 174 165 217 172 603 254 235 1303 514 1482 1294 1472 1587 253 170 1258 218 1747 CSH_negESI #508 16555 270303 23814 1323 4532 96015 2847 508654 534 193055 325518 436192 10728 1000 324 655 5209 217 1809 812 8239 281 206 743 CSH_negESI #510 67 72 23 128 127 183 88 97688 2482 87501 78828 52269 9877 96991 2566 1073 45732 41889 19735 25989 7651 5159 3025 1543 CSH_negESI #516 76 402 34 64 103 131 183 143 576 357 629 281 2014 334 1911 2384 1152 464 1474 609 1548 983 771 643 CSH_negESI #520 2828 4564 2121 2702 962 4097 1895 170 990 133 599 875 259 217 384 138 98 373 305 131 247 256 137 166 CSH_negESI #522 5619 3234 1857 2003 674 3357 1889 88 311 84 154 595 242 131 105 124 147 135 145 113 147 231 129 CSH_negESI #524 19797 12609 5746 9389 9408 10264 19039 1259 9923 1233 6149 5697 3556 370 657 837 1646 812 620 338 2619 918 410 411 CSH_negESI #527 66964 32905 31553 71916 63281 53558 33707 324 9405 159 1091 12379 1565 630 3111 1587 1541 1985 920 630 2337 1580 1365 1101 CSH_negESI #528 5172 3929 1691 3008 2159 3780 5627 315 2402 304 2178 2099 884 188 351 508 214 405 292 147 618 505 304 234 CSH_negESI #530 2147 2376 1101 2448 3923 1627 3261 289 2562 185 1641 3143 297 462 495 344 352 67 91 909 788 319 274 CSH_negESI #557 24399 11166 7629 11668 6366 10316 28480 29923 17836 11372 39013 33483 54071 23522 29443 26182 23209 21892 33557 5782 1913 10644 12841 17089 CSH_negESI #567 16109 45644 22759 31758 40192 3501 677 134 460 138 79 230 234 181 85 190 192 153 117 165 159 154 138 CSH_negESI #584 4432 1790 1009 2110 1668 3260 2383 145 1492 161 900 1590 367 295 190 476 127 108 377 114 226 389 138 114 CSH_negESI #586 1966 5898 5959 10012 6492 6095 4341 128 1692 137 174 558 270 198 465 367 125 455 273 330 335 311 157 272 CSH_negESI #598 3140 3208 3629 4369 4002 3376 2520 338 931 39 405 921 443 1429 1049 1194 1666 2593 226 218 1306 1115 1363 263 CSH_negESI #599 6313 6220 6642 7186 7134 6357 5034 309 2782 413 1239 2419 3292 169 266 805 1992 263 1983 144 244 256 251 441 CSH_negESI #615 2289 2720 2683 172 2521 2754 3116 3048 370 3011 3033 2596 3429 196 3751 4377 4021 3354 4238 158 3577 3855 2133 3786 CSH_negESI #616 214 58 185 93 183 68 104 164 2370 61 105 145 1165 3113 3749 2822 3775 3738 3915 233 3199 2528 2686 2642 CSH_negESI #624 6423 4097 4706 5525 4368 4758 490 55 133 84 47 1150 522 50 168 54 74 54 150 103 163 120 73 CSH_negESI #628 14425 5049 19512 13050 23635 12672 11598 559 812 82 833 1132 666 310 1676 1243 1060 3656 448 8540 722 282 353 547 CSH_negESI #631 2620 3686 4385 3854 5221 2242 1164 88 438 40 251 433 986 393 471 482 655 321 621 150 883 195 335 214 CSH_negESI #632 2056 3816 5364 3379 3091 6172 779 69 136 104 184 259 292 44 93 123 248 65 75 53 174 53 86 142 CSH_negESI #647 58 74 30 203 221 54 79 53 515 23 71 170 129 6627 3785 2325 129 13267 3717 2810 1546 1766 159 93 CSH_negESI #698 11012 10483 4578 7299 10591 564 10714 76 241 73 1833 3025 133 260 79 88 89 375 110 278 349 81 74 101 CSH_negESI #706 3190 5050 4248 4129 3464 4280 3081 214 1089 162 876 1294 755 161 134 67 160 150 183 181 176 205 135 148 CSH_negESI #713 41085 122113 72454 131309 50750 120509 41530 1012 7912 802 6571 13761 2231 857 1320 1649 916 723 1121 952 902 916 872 891 CSH_negESI #743 14024 1140 1482 1438 10209 10582 6476 320 2140 86 182 392 220 71 823 176 139 308 253 465 455 615 111 510 CSH_negESI #749 84464 33737 56886 61330 46223 54941 127435 5512 33176 4685 18445 28757 2666 614 413 1243 1019 2007 1559 4562 435 6631 2017 1505 CSH_negESI #750 34079 333 13413 19164 9628 18223 40585 135 2604 86 169 480 568 159 463 332 206 96 104 105 257 73 174 CSH_negESI #762 31155 32714 16902 27826 14031 24803 56996 16795 18787 11278 38917 46288 49115 13473 29569 30190 17076 7042 23203 3249 21751 20495 14700 32896 CSH_negESI #767 5266 4328 6324 4663 3901 5184 11684 1654 4610 1672 4437 4352 5504 1567 2813 4019 2870 1509 2562 725 2269 2360 1787 2654 CSH_negESI #770 26074 46534 15398 29146 11745 21735 40645 26419 37572 14416 61348 72154 115755 38347 90305 82248 47511 21973 67675 15046 68514 54627 50466 70451 CSH_negESI #773 3331 2567 3420 2849 3058 2756 3102 2288 5132 3882 3677 3022 7618 3990 15249 4195 6249 12213 1669 889 9513 1520 2239 5934 metabolite_name Identifier Batch m/z Batch RT Adduct Comment Formula InChI Key 1_ISTD Ceramide (d18:1/17:0) A 6.19_586.5 586.4978 6.075 [M+Cl]- no MSMS, isotope pattern matches [M+Cl]-, RT matches [M+HCOO]-, adduct pattern matches Ceramide C35H69NO3 ICWGMOFDULMCFL-QKSCFGQVSA-N 1_ISTD Ceramide (d18:1/17:0) B 6.2_596.53 610.5411 6.067 [M+HCOO]- C35H69NO3 ICWGMOFDULMCFL-QKSCFGQVSA-N 1_ISTD CUDA 0.8_339.27 339.2648 0.682 [M-H]- C19H36N2O3 HPTJABJPZMULFH-UHFFFAOYSA-N 1_ISTD FA (16:0)-d3 3.22_258.25 258.2515 2.431 [M-H]- C16H32D3O2 IPCSVZSSVZVIGE-FIBGUPNXSA-N 1_ISTD LPC (17:0) A 1.81_544.32 544.3179 1.938 [M+Cl]- no MSMS Matched by ionization pattern of internal standard C25H52NO7P SRRQPVVYXBTRQK-XMMPIXPASA-N 1_ISTD LPC (17:0) B 1.92_554.35 568.3615 1.938 [M+HCOO]- C25H52NO7P SRRQPVVYXBTRQK-XMMPIXPASA-N 1_ISTD LPE (17:1) 1.41_464.28 464.2777 1.436 [M-H]- C22H44NO7P LNJNONCNASQZOB-HEDKFQSOSA-N 1_ISTD MG (17:0/0:0/0:0) 3.12_389.29 403.306 3.086 [M+HCOO]- C20H40O4 SVUQHVRAGMNPLW-UHFFFAOYSA-N 1_ISTD PC (12:0/13:0) 3.61_680.45 694.466 3.567 [M+HCOO]- C33H66NO8P FCTBVSCBBWKZML-WJOKGBTCSA-N 1_ISTD PE (17:0/17:0) 6.54_718.54 718.5387 6.361 [M-H]- C39H78NO8P YSFFAUPDXKTJMR-DIPNUNPCSA-N 1_ISTD PG (17:0/17:0) 5.8_749.53 749.5333 5.15 [M-H]- C40H79O10P ZBVHXVKEMAIWQQ-QPPIDDCLSA-N 1_ISTD SM (d18:1/17:0) A 5.10_751. 751.5526 5.085 [M+Cl]- Isotope pattern matches [M+Cl]-, accurate mass matches C40H81N2O6P YMQZQHIESOAPQH-JXGHDCMNSA-N 1_ISTD SM (d18:1/17:0) B 5.27_761.58 775.5966 5.085 [M+HCOO]- C40H81N2O6P YMQZQHIESOAPQH-JXGHDCMNSA-N Ceramide (d32:1) 4.99_544.45 _5.13_554.48 544.4499 _568.4941 4.935 [M+Cl]- _[M+HCOO]- C32H63NO3 ZKRPGPZHULJLKJ-JHRQRACZSA-N Ceramide (d33:1) 5.32_558.47 _5.48_568.5 558.4655 _582.5109 5.293 [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 5.967 [M+Cl]- _[M+HCOO]- C34H69NO3 GCGTXOVNNFGTPQ-JHOUSYSJSA-N Ceramide (d34:1) 5.66_572.48 _5.79_582.51 572.4805 _596.5254 5.647 [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 5.044 [M+Cl]- _[M+HCOO]- C34H65NO3 XXWRZIYYFPIQHE-XPAOSYCESA-N Ceramide (d36:1) 6.36_600.51 _6.55_610.54 600.5129 _624.5567 6.369 [M+Cl]- _[M+HCOO]- C36H71NO3 MJQIARGPQMNBGT-WWUCIAQXSA-N Ceramide (d38:1) 7.06_628.54 _7.27_638.57 628.5441 _652.588 7.086 [M+Cl]- _[M+HCOO]- C38H75NO3 XWBWIAOWSABHFI-NUKVNZTCSA-N Ceramide (d39:1) 7.41_642.56 _7.63_652.59 642.5615 _666.6037 7.459 [M+Cl]- _[M+HCOO]- C39H77NO3 WYSRACVJQVNCRW-PQPBPFPMSA-N Ceramide (d40:0) 7.96_658.59 _7.96_668.62 658.591 _682.6335 8.017 [M+HCOO]- no MSMS C40H81NO3 SXPRAKSDHOEHIG-ZESVVUHVSA-N Ceramide (d40:1) 7.74_656.58 _7.91_666.6 656.5756 _680.6193 7.784 [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 7.176 [M+Cl]- _[M+HCOO]- C40H77NO3 HILTUFAERVOALR-MQXYEJFFSA-N Ceramide (d41:1) 8.06_670.59 _8.29_680.62 670.5907 _694.635 8.108 [M+Cl]- _[M+HCOO]- C41H81NO3 NAJHAHQNQCNWOP-PUYNVXOJSA-N Ceramide (d42:0) 8.59_686.62 _8.59_696.65 686.6212 _710.6667 8.641 [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 8.424 [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 7.742 [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 7.95 [M+Cl]- _[M+HCOO]- B no MSMS C42H81NO3 VJSBNBBOSZJDKB-KPEYJIHVSA-N Ceramide (d43:1) 8.57_698.62 _8.89_708.65 698.6223 _722.6662 8.8 [M+Cl]- _[M+HCOO]- C43H85NO3 QHPYSHVSWAOLHS-PVNBSDFKSA-N Ceramide (d44:1) 8.97_712.64 _9.2_722.67 712.6369 _736.6822 9.007 [M+Cl]- _[M+HCOO]- C44H87NO3 CJROVRTUSFQVMR-GVOPMEMSSA-N FA (16:0) 3.25_255.23 255.233 2.447 [M-H]- C16H32O2 IPCSVZSSVZVIGE-UHFFFAOYSA-N FA (16:1) 2.71_253.22 253.2173 1.801 [M-H]- C16H30O2 SECPZKHBENQXJG-FPLPWBNLSA-N FA (18:0) 3.82_283.26 283.2643 3.215 [M-H]- C18H36O2 QIQXTHQIDYTFRH-UHFFFAOYSA-N FA (18:1) 3.34_281.25 281.2486 2.663 [M-H]- C18H34O2 ZQPPMHVWECSIRJ-KTKRTIGZSA-N FA (18:2) 2.94_279.23 279.2331 2.033 [M-H]- no MSMS C18H32O2 JBYXPOFIGCOSSB-XBLVEGMJSA-N FA (20:4) 2.85_303.23 303.233 1.917 [M-H]- C20H32O2 YZXBAPSDXZZRGB-DOFZRALJSA-N FA (22:4) 3.27_331.26 331.2643 2.64 [M-H]- C22H36O2 TWSWSIQAPQLDBP-DOFZRALJSA-N GlcCer (d38:1) 6.39_790.60 _6.59_800.63 790.5969 _814.6409 6.419 [M+Cl]- _[M+HCOO]- C44H85NO8 DFELABABMXOKTD-IYFIADHGSA-N GlcCer (d40:1) 7.28_818.63 _7.28_828.66 818.628 _842.6727 7.118 [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 7.459 [M+Cl]- _[M+HCOO]- C47H91NO8 SJGWLQDELUWRDA-MUYAOIFFSA-N GlcCer (d42:1) 7.95_846.66 _7.91_856.69 846.66 _870.704 7.784 [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 7.1 [M+Cl]- _[M+HCOO]- C48H91NO8 WBOZIXHPUPAOIA-RBELZSLISA-N GlcCer(d14:1(4E)/20:0(2OH)) 4.97_750.53 750.5285 _774.5733 4.828 [M+Cl]- _[M+HCOO]- Accurate Mass Match/noMSMS Isotope pattern matches [M+Cl]- C40H77NO9 YYILQTLJZBSOCA-IMJQGFQJSA-N LPC (16:0) 1.46_530.30 _1.55_540.33 530.3016 _554.3464 1.563 [M+Cl]- _[M+HCOO]- C24H50NO7P ASWBNKHCZGQVJV-HSZRJFAPSA-N LPC (16:1) 1.12_538.32 552.3307 1.13 [M+HCOO]- no MSMS C24H48NO7P LFUDDCMNKWEORN-ZXEGGCGDSA-N LPC (18:0) A 2.17_568.36 582.3778 2.38 [M+HCOO]- A C26H54NO7P IHNKQIMGVNPMTC-RUZDIDTESA-N LPC (18:0) B 2.36_568.36 582.3777 2.387 [M+HCOO]- B C26H54NO7P IHNKQIMGVNPMTC-RUZDIDTESA-N LPC (18:1) 1.71_566.35 580.362 1.713 [M+HCOO]- no MSMS C26H52NO7P YAMUFBLWGFFICM-PTGWMXDISA-N LPC (18:2) A 1.21_554.30 554.301 1.288 [M+Cl]- no MSMS Matched by ionization pattern of internal standard C26H50NO7P SPJFYYJXNPEZDW-FTJOPAKQSA-N LPC (18:2) B 1.25_564.33 578.3469 1.288 [M+HCOO]- C26H50NO7P SPJFYYJXNPEZDW-FTJOPAKQSA-N LPC (18:2) C 1.21_554.30 _1.25_564.33 554.301 _578.3469 1.288 [M+Cl]- _[M+HCOO]- C26H50NO7P SPJFYYJXNPEZDW-FTJOPAKQSA-N LPC (20:1) 2.51_594.38 608.3932 2.528 [M+HCOO]- C28H56NO7P GJTDRNFWIDPARY-GTPZACKGSA-N LPC (20:2) 1.88_592.36 606.3771 1.904 [M+HCOO]- C28H54NO7P YYQVCMMXPIJVHY-ZOIJLGJPSA-N LPC (20:3) 1.48_590.35 604.3619 1.496 [M+HCOO]- C28H52NO7P BBNHCUBQEQJHIG-FZZJNMCHSA-N LPE (16:0) 1.6_452.28 452.2782 1.629 [M-H]- C21H44NO7P CKPBBEOJHAPPBT-HXUWFJFHSA-N LPE (18:2) 1.31_476.28 476.2783 1.33 [M-H]- no MSMS C23H44NO7P DBHKHNGBVGWQJE-USWSLJGRSA-N LPE (20:4) 1.28_500.28 500.2784 1.296 [M-H]- C25H44NO7P JPNPIRVRGLGTRE-YSKCIPFOSA-N LPE (22:6) 1.22_524.28 524.2785 1.238 [M-H]- no MSMS C27H44NO7P XEVRBOQZSXWGQO-PAUXXPOVSA-N PC (32:0) 5.65_778.56 768.5382 _792.5761 5.456 [M+HCOO]- GPCho(16:0/16:0) C40H80NO8P KILNVBDSWZSGLL-KXQOOQHDSA-N PC (32:1) 5.09_776.54 790.5604 4.894 [M+HCOO]- GPCho(16:0/16:1(7Z)) C40H78NO8P QIBZFHLFHCIUOT-NPBIGWJUSA-N PC (32:2) 4.56_774.53 788.5442 4.5 [M+HCOO]- GPCho(14:0/18:2(2E,4E)) C40H76NO8P GPWHCUUIQMGELX-VHQDNGOZSA-N PC (33:1) 5.4_790.56 804.5761 5.218 [M+HCOO]- GPCho(15:0/18:1(11E)) C41H80NO8P GXTATYLPYLLNLV-MGIDVFSBSA-N PC (33:2) 4.87_788.55 802.5599 4.698 [M+HCOO]- C41H78NO8P SBNDHGBVMZMSNL-UESLNCBNSA-N PC (34:0) 6.29_806.59 820.6068 6.225 [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 5.531 [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 5.1 [M+Cl]- _[M+HCOO]- _[M-CH3]- C41H78NO8P JLPULHDHAOZNQI-ZTIMHPMXSA-N PC (34:3) 4.65_800.54 814.5601 4.6 [M+HCOO]- matched from Neg mode C40H80NO8P CNNSEHUKQJCGTE-UPPWDXJYSA-N PC (34:4) 4.51_798.53 812.5448 4.45 [M+HCOO]- C42H76NO8P YWDDIWXKFJEMKF-JTZVLWBESA-N PC (35:1) 6.06_818.59 832.6072 5.938 [M+HCOO]- matched from Neg mode C43H84NO8P MFHIZGSSDZJFKD-IYEJTHTFSA-N PC (35:2) 5.56_816.58 830.5917 5.356 [M+HCOO]- GPCho(17:0/18:2(2E,4E)) C43H82NO8P ZSKWZJYUVZYDQU-WESJWMGVSA-N PC (35:4) 4.67_812.55 826.5607 4.598 [M+HCOO]- C43H78NO8P LYNZMLHNPYEREG-ZHMZGHMTSA-N PC (36:1) 6.41_832.61 846.623 6.22 [M+HCOO]- GPCho(18:0/18:1(11E)) C44H86NO8P ATHVAWFAEPLPPQ-VRDBWYNSSA-N PC (36:2) 5.72_820.56 _5.89_830.59 820.5603 _844.6074 5.706 [M+Cl]- _[M+HCOO]- C44H84NO8P SNKAWJBJQDLSFF-NVKMUCNASA-N PC (36:3) A 5.13_828.58 842.5917 5.048 [M+HCOO]- A C44H82NO8P YPAZQMWFRMHBBM-CLKMJQEKSA-N PC (36:3) B 5.38_828.58 842.5917 5.45 [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 4.744 [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 4.928 [M+HCOO]- B GPCho(16:0/20:4(5E,8E,11E,14E)) C44H80NO8P IIZPXYDJLKNOIY-JXPKJXOSSA-N PC (36:5) A 4.29_824.54 838.5599 4.4 [M+HCOO]- A C44H78NO8P DYDDZDMJSQYFGN-OIVUZXIWSA-N PC (36:5) B 4.67_824.54 838.5599 4.65 [M+HCOO]- B no MSMS C44H78NO8P DYDDZDMJSQYFGN-OIVUZXIWSA-N PC (37:2) 6.22_844.61 858.6233 6.15 [M+HCOO]- C45H86NO8P MCZUABDVGPPWPM-HJTCUGKVSA-N PC (37:4) 5.4_840.58 854.5918 5.4 [M+HCOO]- no MSMS C45H82NO8P QRPUCJXFPYFTMB-FBFLODOBSA-N PC (38:2) 6.49_858.62 872.6381 6.311 [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 5.942 [M+Cl]- _[M+HCOO]- C46H86NO8P OJHJKEBRZSDTTL-VHWCKNCUSA-N PC (38:4) 5.79_854.59 868.6074 5.65 [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 5.05 [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 5.178 [M+HCOO]- B C46H82NO8P YLWBKBDNHWQEFU-YJXJLLHLSA-N PC (38:6) 4.95_850.56 864.5761 4.85 [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 6.142 [M+HCOO]- GPCho(18:0/22:4(7Z,10Z,13Z,16Z)) C48H88NO8P QQIYXJBHMDYXHH-NMUBDWGHSA-N PC (40:5) 5.76_880.61 894.623 5.7 [M+HCOO]- A GPCho(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) C48H86NO8P LJFKFKIYUJNFPZ-ZLFSCUDPSA-N PC (40:6) A 5.43_868.56 868.5622 5.396 [M+Cl]- no MSMS, isotope pattern matches [M+Cl]- C48H84NO8P FYVNIFOYDIIODX-KNKJIUSSSA-N PC (40:6) B 5.55_878.59 892.6076 5.406 [M+HCOO]- B GPCho(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C48H84NO8P FYVNIFOYDIIODX-KNKJIUSSSA-N PC (40:6) C 5.43_868.56 _5.55_878.59 868.5622 _892.6076 5.406 [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 4.788 [M+HCOO]- C48H82NO8P BPUROMFCPFGBOT-ZEGPSQTJSA-N PC (40:8) 4.59_874.56 888.5756 4.5 [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 5.951 [M+HCOO]- C40H82NO7P SVWBXNAUENUONE-LDLOPFEMSA-N PC (p-34:0) or PC (o-34:1) 6.08_790.6 804.6124 6.009 [M+HCOO]- no MSMS C42H84NO7P QCGUXAIDEOWPBV-SNKLRXETSA-N PC (p-34:1) or PC (o-34:2) 5.56_788.58 802.5962 5.423 [M+HCOO]- A no MSMS C42H82NO7P MBRHHFWRXQYYAN-RTVLTNFHSA-N PC (p-34:2) or PC (o-34:3) 5.51_786.56 800.5804 5.326 [M+HCOO]- no MSMS C42H80NO7P QLEHHUPUHJPURI-PWYDUFMYSA-N PC (p-36:1) or PC (o-36:2) 6.3_816.61 830.6276 6.158 [M+HCOO]- C44H86NO7P ZOTYCHIFTCFAHC-KOUVQCMKSA-N PC (p-36:3) or PC (o-36:4) 5.51_812.58 826.5968 5.4 [M+HCOO]- no MSMS C44H82NO7P SOUZQPFUXRVDGK-KCTKZSJBSA-N PC (p-36:4) or PC (o-36:5) 5.23_800.84 _5.4_810.57 814.554 _824.5811 5.202 [M+Cl]- _[M+HCOO]- C44H80NO7P IOYKZPNDXIIXLN-LOQSCQKMSA-N PC (p-38:3) or PC (o-38:4) 6.13_840.61 854.6281 6.058 [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 5.346 [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 5.942 [M+HCOO]- B C46H84NO7P DBQMOXDLWKVKKG-REWQMPQJSA-N PC (p-40:3) or PC (o-40:4) 6.66_868.64 882.6584 6.686 [M+HCOO]- C48H90NO7P PE (34:1) 5.93_716.52 716.5236 5.747 [M-H]- C39H76NO8P FHQVHHIBKUMWTI-OTMQOFQLSA-N PE (34:2) 5.4_714.51 714.5079 5.218 [M-H]- GPEtn(16:0/18:2(2E,4E)) C39H74NO8P HBZNVZIRJWODIB-NHCUFCNUSA-N PE (36:2) 6.03_742.54 742.5392 5.967 [M-H]- GPEtn(18:0/18:2(2E,4E)) C41H78NO8P MWRBNPKJOOWZPW-CLFAGFIQSA-N PE (36:3) 5.43_740.52 740.523 5.293 [M-H]- GPEtn(18:1(11E)/18:2(2E,4E)) C41H76NO8P DOILLFCKSSPXMF-ZKZIFNJMSA-N PE (36:4) 5.3_738.51 738.5079 5.108 [M-H]- GPEtn(16:0/20:4(5E,8E,11E,14E)) C41H74NO8P DUQDVNACTOXOJA-KTKXOIIHSA-N PE (38:2) 5.88_770.57 770.5705 5.696 [M-H]- GPEtn(18:2(2E,4E)/20:0) C43H82NO8P CLPMAPXZURYSNH-CNBLIUODSA-N PE (38:4) A 5.11_766.54 766.5392 5.08 [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 5.789 [M-H]- B no MSMS C43H78NO8P ANRKEHNWXKCXDB-BHFWLYLHSA-N PE (38:6) 5.11_762.51 762.5079 4.927 [M-H]- GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C43H74NO8P VRBJSZDBPQLNEM-PFTGJCAASA-N PE (40:6) 4.96_790.54 790.5392 5 [M-H]- no MSMS C45H78NO8P FEABWDMFZNBFCT-KUVQHVNNSA-N PE (44:3) 6.68_852.66 852.6482 6.503 [M-H]- C49H92NO8P QRACKNYWIFHQSS-VJQAOJEZSA-N PE (p-34:1) or PE (o-34:2) 6.26_700.53 700.5277 6.15 [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 5.539 [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 6.794 [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 6.236 [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 5.414 [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 4.969 [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 6.943 [M-H]- C43H82NO7P PE (p-38:3) or PE (o-38:4) 6.56_752.56 752.5594 6.2 [M-H]- C43H80NO7P PE (p-38:4) or PE (o-38:5) 6.26_750.54 750.5443 6.175 [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 5.473 [M-H]- no MSMS C43H76NO7P KCNBSSYOJRUKOM-JALPNNRCSA-N PE (p-38:6) or PE (o-38:7) 5.41_746.51 746.513 5.228 [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 6.806 [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 6.192 [M-H]- C45H80NO7P PE (p-40:6) or PE (o-40:7) 6.1_774.54 774.5443 5.976 [M-H]- PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C45H78NO7P FIJFPUAJUDAZEY-MNDXXDKYSA-N PI (34:2) 4.6_833.52 833.5186 4.1 [M-H]- GPIns(16:0/18:2(2E,4E)) C43H79O13P ZPUUVEHXYAPJAQ-KOHXHNRGSA-N PI (36:2) 5.16_861.55 861.5499 4.6 [M-H]- GPIns(18:0/18:2(2E,4E)) C45H83O13P KZVRAFHIKMDULK-PDPKURFXSA-N PI (36:4) 4.48_857.52 857.5186 4.328 [M-H]- GPIns(16:0/20:4(5E,8E,11E,14E)) C45H79O13P WPXXYOUAQYYXER-BFRKKRKTSA-N PI (38:4) 5.07_885.55 885.5499 4.5 [M-H]- GPIns(18:0/20:4(5E,8E,11E,14E)) C47H83O13P KRTOMQDUKGRFDJ-MWZLTEOLSA-N SM (d32:1) 4.26_719.53 733.5496 4.291 [M+HCOO]- no MSMS C37H75N2O6P KYICBZWZQPCUMO-PSALXKTOSA-N SM (d33:1) 4.56_733.55 747.5653 4.395 [M+HCOO]- no MSMS C38H77N2O6P LQINJRUGTUOHGS-YPDYIYJKSA-N SM (d34:0) 5.16_749.58 763.5966 4.977 [M+HCOO]- C39H81N2O6P QHZIGNLCLJPLCU-QPPIDDCLSA-N SM (d34:1) 4.8_747.57 761.5809 4.727 [M+HCOO]- C39H79N2O6P RWKUXQNLWDTSLO-GWQJGLRPSA-N SM (d34:2) 4.35_745.55 759.5653 4.39 [M+HCOO]- no MSMS C39H77N2O6P YLWSJLLZUHSIEA-CKSUKHGVSA-N SM (d36:1) 5.42_765.57 _5.56_775.6 765.5673 _789.6128 5.423 [M+Cl]- _[M+HCOO]- no MSMS C41H83N2O6P LKQLRGMMMAHREN-YJFXYUILSA-N SM (d36:2) A 4.87_763.55 763.5534 4.827 [M+Cl]- Accurate Mass Match/noMSMS Isotope pattern matches [M+Cl]- C41H81N2O6P NBEADXWAAWCCDG-QDDWGVBQSA-N SM (d36:2) B 5.01_773.58 787.5971 4.844 [M+HCOO]- no MSMS C41H81N2O6P NBEADXWAAWCCDG-QDDWGVBQSA-N SM (d38:0) 6.36_805.64 819.6563 6.136 [M+HCOO]- C43H89N2O6P UGRZESKDAPEULH-ACEXITHZSA-N SM (d38:1) 6.11_793.60 _6.27_803.63 793.5987 _817.644 6.208 [M+Cl]- _[M+HCOO]- no MSMS C43H87N2O6P AADLTHQNYQJHQV-SVLGDMRNSA-N SM (d39:1) 6.63_817.64 831.6571 6.503 [M+HCOO]- C44H89N2O6P YXSZOBWVQJIWNE-LUJNSPTCSA-N SM (d40:1) 6.80_821.63 _6.97_831.66 821.6302 _845.6748 6.852 [M+Cl]- _[M+HCOO]- C45H91N2O6P FJJANLYCZUNFSE-QVMKKYBKSA-N SM (d41:1) 7.13_835.64 _7.22_845.67 835.6439 _859.6893 7.186 [M+Cl]- _[M+HCOO]- C46H93N2O6P SXZWBNWTCVLZJN-NMIJJABPSA-N SM (d41:2) 6.51_833.63 _6.72_843.66 833.6282 _857.6745 6.586 [M+Cl]- _[M+HCOO]- no MSMS C46H91N2O6P JBDGKEXQKCCQFK-JWQIMADESA-N SM (d42:0) 7.69_861.71 875.7218 7.536 [M+HCOO]- C47H97N2O6P SMJLGESYPKPRNU-CRCOQUFZSA-N SM (d42:1) 7.45_849.66 _7.62_859.69 849.6615 _873.7061 7.534 [M+Cl]- _[M+HCOO]- C47H95N2O6P QEDPUVGSSDPBMD-XTAIVQBESA-N SM (d42:2) A 6.76_847.65 847.6463 6.786 [M+Cl]- no MSMS, isotope pattern matches [M+Cl]-, RT matches [M+HCOO]- C47H93N2O6P DACOGJMBYLZYDH-GXJPFUDISA-N SM (d42:2) B 6.93_857.67 871.69 6.786 [M+HCOO]- A no MSMS C47H93N2O6P DACOGJMBYLZYDH-GXJPFUDISA-N SM (d42:2) C 6.90_857.67 871.69 6.946 [M+HCOO]- B C47H93N2O6P DACOGJMBYLZYDH-GXJPFUDISA-N SM (d42:3) 6.19_845.63 _6.35_855.66 845.6299 _869.6754 6.22 [M+Cl]- _[M+HCOO]- C47H91N2O6P TXFLWJQVQCDUDZ-BRUGZULGSA-N SM (d43:1) 7.67_873.70 887.7172 7.751 [M+HCOO]- C48H97N2O6P LXMARZYBSFYVSY-KUQVZNNZSA-N CSH_negESI #109 8.24_697.61 697.6093 8.108 CSH_negESI #113 8.53_711.62 711.6257 8.424 CSH_negESI #120 5.56_843.58 843.5818 5.416 CSH_negESI #131 0.62_329.23 329.2335 0.521 cis-7,10,13,16,19-Docosapentaenoic acid CSH_negESI #223 A 5.02_325.18 325.1844 4.828 CSH_negESI #223 B 5.02_339.2 339.2007 4.819 M+CH2 CSH_negESI #376 8.6_707.61 707.613 8.424 CSH_negESI #377 9.71_862.68 862.6841 9.489 CSH_negESI #378 7.93_709.61 709.6097 7.751 some adduct of Cer(d42:2) CSH_negESI #387 5.03_841.57 841.5674 4.836 CSH_negESI #390 7.56_710.63 710.6297 7.393 CSH_negESI #397 6.08_810.53 810.5276 5.967 CSH_negESI #405 4.7_759.57 759.5653 4.511 no MSMS CSH_negESI #504 0.51_275.13 275.1313 0.46 CSH_negESI #507 0.55_417.21 417.2132 0.51 CSH_negESI #508 0.53_498.29 498.2901 0.485 CSH_negESI #510 0.61_445.25 445.2446 0.56 CSH_negESI #516 0.80_562.32 562.3154 0.707 CSH_negESI #520 1.21_504.31 504.3095 1.288 CSH_negESI #522 1.19_588.33 588.3304 1.255 CSH_negESI #524 1.46_480.31 480.3094 1.563 CSH_negESI #527 1.65_478.29 478.2934 1.78 CSH_negESI #528 1.61_506.33 506.3252 1.713 CSH_negESI #530 1.73_436.28 436.2827 1.871 CSH_negESI #557 3.42_509.33 509.3306 3.459 CSH_negESI #567 4.17_787.52 787.5207 4.291 CSH_negESI #584 4.47_774.53 774.5279 4.386 CSH_negESI #586 4.53_836.54 836.5433 4.428 CSH_negESI #598 4.76_687.55 687.5446 4.727 CSH_negESI #599 4.76_737.54 737.5368 4.719 CSH_negESI #615 4.87_681.51 681.5062 4.827 CSH_negESI #616 4.87_713.56 713.5584 4.844 CSH_negESI #624 4.97_816.53 816.5317 4.919 CSH_negESI #628 5.02_734.53 734.5339 4.998 CSH_negESI #631 5.07_746.51 746.5129 5.227 CSH_negESI #632 5.05_788.52 788.5232 5.002 CSH_negESI #647 5.21_862.60 862.5974 5.178 CSH_negESI #698 6.11_871.61 871.6139 6.217 CSH_negESI #706 6.21_822.58 822.5805 6.228 CSH_negESI #713 6.40_744.55 744.5535 6.436 CSH_negESI #743 7.01_859.69 859.6907 7.077 CSH_negESI #749 7.14_680.58 680.5757 7.176 CSH_negESI #750 7.13_690.60 690.6034 7.168 CSH_negESI #762 7.35_700.60 700.6028 7.386 CSH_negESI #767 7.94_684.61 684.6068 7.976 CSH_negESI #770 8.03_702.62 702.6162 8.086 CSH_negESI #773 8.28_672.61 672.6066 8.333