database_identifier chemical_formula smiles inchi metabolite_identification metabolite_class mass_to_charge fragmentation modifications charge retention_time taxid species database database_version reliability search_engine search_engine_score peak_identifier standard sample_Pos Blank_sample_1_Pos CSRSPlant_Arabi01_Pos CSRSPlant_Arabi02_Pos CSRSPlant_Arabi03_Pos CSRSPlant_Ine01_Pos CSRSPlant_Ine02_Pos CSRSPlant_Ine03_Pos CSRSPlant_Nasu01_Pos CSRSPlant_Nasu02_Pos CSRSPlant_Nasu03_Pos Blank_sample_2_Pos C59H108O12 ADGGA 16:0/16:0-18:1 1026.82092 [M+NH4]+ 6.766 5 0 57 0 10 10020 10941 10420 6663 6852 6730 6 C59H106O12 ADGGA 16:0/16:0-18:2 1024.80481 [M+NH4]+ 6.495 19 13 93 4 8 55799 58004 61434 23357 22640 21368 48 C59H104O12 ADGGA 16:0/16:0-18:3 1022.78839 [M+NH4]+ 6.215 6 7 90 200 68 35772 36113 36324 7201 6826 6526 12 C61H110O12 ADGGA 16:0/18:0-18:2 1052.83655 [M+NH4]+ 6.881 5 5 4 20 11 8295 7901 8652 14828 13933 14183 6 C61H108O12 ADGGA 16:0/18:1-18:2 1050.81677 [M+NH4]+ 6.576 28 10 19 15 87 9856 8903 10156 9140 8778 8136 5 C61H106O12 ADGGA 16:0/18:2-18:2 1048.80786 [M+NH4]+ 6.284 7 10 0 51 71 16989 17970 18483 20512 20643 18606 6 C61H104O12 ADGGA 16:0/18:2-18:3 1046.79053 [M+NH4]+ 6.008 5 5 75 65 158 10616 10680 10265 7904 7463 7301 4 C50H88O7 AHexCAS 16:0 818.68719 [M+NH4]+ 6.087 12 9 25621 26248 23152 49440 48420 51777 24129 24141 23920 8 C52H88O7 AHexCAS 18:2 842.68634 [M+NH4]+ 5.853 5 16 10582 9542 10636 14452 16050 16345 11217 8296 9595 7 C52H86O7 AHexCAS 18:3 840.67194 [M+NH4]+ 5.551 0 6 7018 6531 6834 6085 5916 6548 3066 4105 2027 6 C52H86O7 AHexCAS 18:3 840.68933 [M+NH4]+ 5.638 8 5 95 615 130 10 5526 166 7297 7385 6778 8 C49H86O7 AHexCS 16:0 804.6698 [M+NH4]+ 5.908 6 14 456 633 509 2621 3032 2663 27696 26706 25308 19 C51H86O7 AHexCS 18:2 828.67157 [M+NH4]+ 5.699 13 6 379 502 0 185 1661 1253 11793 11392 12122 0 C51H90O7 AHexSIS 16:0 832.70209 [M+NH4]+ 6.233 27 21 131449 132261 126414 81715 83694 84127 178417 175015 175932 47 C52H92O7 AHexSIS 17:0 846.7226 [M+NH4]+ 6.489 0 28 1784 1509 1490 2950 3095 4315 8166 7347 7674 7 C53H94O7 AHexSIS 18:0 860.73401 [M+NH4]+ 6.706 0 30 12940 13301 12893 9466 9947 10235 77292 78418 76479 11 C53H92O7 AHexSIS 18:1 858.72211 [M+NH4]+ 6.341 6 20 10058 9966 10280 5321 5537 5616 36634 49215 44446 0 C53H90O7 AHexSIS 18:2 856.70282 [M+NH4]+ 6.008 23 14 53775 51943 54939 31348 31983 29622 79932 76213 72850 8 C53H88O7 AHexSIS 18:3 854.68646 [M+NH4]+ 5.713 4 6 56186 61796 59855 23748 23184 25239 55482 53284 52909 8 C55H98O7 AHexSIS 20:0 888.76733 [M+NH4]+ 7.193 0 12 360 638 187 1619 946 1476 17971 16760 17040 5 C57H102O7 AHexSIS 22:0 916.79407 [M+NH4]+ 7.63 6 16 1456 1061 1757 2802 2758 3051 15837 15859 16136 4 C59H106O7 AHexSIS 24:0 944.82397 [M+NH4]+ 8.072 14 6 898 504 942 3554 3806 3336 8605 8235 8242 5 C51H88O7 AHexSTS 16:0 830.6861 [M+NH4]+ 6.118 16 13 148 1135 1126 45351 44875 46597 94735 93334 96146 10 C51H88O7 AHexSTS 16:0 830.68756 [M+NH4]+ 5.934 6 0 25547 24696 25534 20315 21692 18836 112074 111662 109489 7 C53H92O7 AHexSTS 18:0 858.71899 [M+NH4]+ 6.387 15 10 7687 9966 7810 4115 5537 5616 48159 48955 44446 0 C53H88O7 AHexSTS 18:2 854.68591 [M+NH4]+ 5.874 0 8 949 963 1262 9466 12105 10261 21229 22019 20001 11 C53H86O7 AHexSTS 18:3 852.6701 [M+NH4]+ 5.411 5 22 4162 4202 4357 2295 1792 1826 8944 8479 9312 5 C55H96O7 AHexSTS 20:0 886.75092 [M+NH4]+ 6.879 5 0 59 210 142 595 683 368 16067 14350 14320 6 C57H100O7 AHexSTS 22:0 914.78455 [M+NH4]+ 7.37 14 8 742 513 622 1408 1052 1167 11660 12221 11720 6 C59H104O7 AHexSTS 24:0 942.80902 [M+NH4]+ 7.814 6 5 281 705 553 739 590 748 8071 7835 8164 0 C40H81NO5 Cer-AP t18:0/22:0+O 656.61847 [M+H]+ 5.424 7 22 733 904 570 3751 3624 3802 4906 4480 4618 6 C40H79NO5 Cer-AP t18:1/22:0+O 654.60382 [M+H]+ 5.222 9 5 2762 2887 2481 1356 822 787 13386 12930 11719 6 C41H81NO5 Cer-AP t18:1/23:0+O 668.61719 [M+H]+ 5.493 6 9 1446 643 1177 168 353 345 19576 18544 17624 15 C42H85NO5 Cer-AP t18:0/24:0+O 684.65094 [M+H]+ 5.928 15 56 4516 4681 4751 15615 18310 14378 20868 20644 19411 18 C42H83NO5 Cer-AP t18:1/24:0+O 682.62421 [M+H]+ 5.352 9 6 1397 1706 2052 1854 428 414 281 740 118 4 C42H83NO5 Cer-AP t18:1/24:0+O 682.63245 [M+H]+ 5.739 7 15 31725 34083 31348 7919 8304 8054 157297 151984 148123 32 C43H85NO5 Cer-AP t18:1/25:0+O 696.6507 [M+H]+ 5.982 12 0 2125 2230 2280 427 411 264 38387 37214 36513 4 C44H89NO5 Cer-AP t18:0/26:0+O 712.68292 [M+H]+ 6.426 43 20 475 495 478 3162 2697 2851 7847 7621 6791 26 C44H87NO5 Cer-AP t18:1/26:0+O 710.66541 [M+H]+ 6.245 4 6 10678 9847 9517 790 880 499 60126 57889 56376 6 C40H81NO4 Cer-HDS d17:0/23:0+O 640.62408 [M+H]+ 5.672 10 36 942 1327 1001 10800 10070 9574 1169 2386 2806 10 C42H85NO4 Cer-HDS d18:0/24:0+O 668.65546 [M+H]+ 6.176 23 86 5437 4698 5642 32572 33203 33521 5207 5190 4985 19 C42H83NO4 Cer-HS d18:1/24:0+O 666.63947 [M+H]+ 5.981 23 6 22477 22080 24565 1645 1651 2142 48044 46862 44937 0 C44H87NO4 Cer-HS d18:1/26:0+O 694.67084 [M+H]+ 6.488 7 10 6933 10177 7114 259 400 459 15865 15195 14231 8 C53H83NO3 Cer-NS d15:3/38:9 782.64807 [M+H]+ 6.095 16 12 12497 12309 12364 7830 8252 8080 38015 36497 38421 13 C37H70O5 DAG 16:0-18:1 612.55658 [M+NH4]+ 5.45 35 638 12458 12565 12322 21134 21007 21126 59125 57493 58632 69 C37H68O5 DAG 16:0-18:2 610.54004 [M+NH4]+ 5.122 123 233 122297 120418 113546 103611 114438 106255 277131 279734 251476 161 C37H66O5 DAG 16:0-18:3 608.5246 [M+NH4]+ 4.834 111 70 119138 130280 117818 95931 96384 99002 111930 108449 102214 137 C39H74O5 DAG 18:0-18:1 640.58795 [M+NH4]+ 5.945 17 106 9322 8781 9652 2174 2208 2410 11382 10393 9579 23 C39H72O5 DAG 18:0-18:2 638.57263 [M+NH4]+ 5.598 49 140 19111 19586 19987 14934 14659 12921 69086 65457 61846 58 C39H70O5 DAG 18:1-18:2 636.55695 [M+NH4]+ 5.194 45 46 21300 22622 21289 25492 25183 26363 43394 43446 40794 26 C39H68O5 DAG 18:2-18:2 634.54083 [M+NH4]+ 4.889 138 51 84718 87641 80653 82286 80879 83209 122203 117874 115152 95 C39H66O5 DAG 18:2-18:3 632.52545 [M+NH4]+ 4.611 28 94 75252 76551 74254 66744 70672 68849 44225 42375 40989 99 C39H64O5 DAG 18:3-18:3 630.51001 [M+NH4]+ 4.348 51 23 57743 57473 58944 74422 75512 74982 12898 12623 12191 31 C41H76O5 DAG 18:1-20:1 666.60522 [M+NH4]+ 6.102 10 17 10099 10796 9276 932 1239 1014 3761 2406 2877 17 C41H74O5 DAG 20:1-18:2 664.58698 [M+NH4]+ 5.669 6 25 30340 33199 32049 2130 2150 1623 3084 3246 2792 9 C41H72O5 DAG 20:1-18:3 662.57245 [M+NH4]+ 5.39 6 23 14590 15243 14818 2017 2004 2191 1342 1215 1356 8 C47H88O5 DAG 16:0-28:2 750.71149 [M+NH4]+ 8.756 5 6 11691 10396 11624 191 341 330 803 931 997 7 C49H92O15 DGDG 16:0-18:0 938.67664 [M+NH4]+ 4.659 7 0 10020 8966 9585 1806 1878 1686 5185 5802 5919 7 C49H90O15 DGDG 16:0-18:1 936.66235 [M+NH4]+ 4.344 9 5 59949 60113 63008 61017 62079 62360 49030 47439 45334 4 C49H88O15 DGDG 16:0-18:2 934.65015 [M+NH4]+ 4.092 22 14 156917 155197 154699 168234 157044 163388 187299 190041 187652 10 C49H86O15 DGDG 16:0-18:3 932.63031 [M+NH4]+ 3.905 23 72 298378 307821 286041 331048 371566 347476 418881 392035 375669 62 C49H84O15 DGDG 16:1-18:3 930.61383 [M+NH4]+ 3.665 4 0 17417 18631 18345 7490 7122 7521 22655 20909 20180 0 C49H82O15 DGDG 16:2-18:3 928.59888 [M+NH4]+ 3.496 0 6 20260 19786 20922 414 534 128 24860 23207 22808 0 C49H80O15 DGDG 16:3-18:3 926.5849 [M+NH4]+ 3.304 15 7 173995 119661 143418 833 920 492 119682 103431 104420 10 C50H88O15 DGDG 17:0-18:3 946.64661 [M+NH4]+ 4.065 29 6 4543 4734 5163 22733 22696 21968 15161 14092 13701 7 C50H82O15 DGDG 17:2-18:4 940.59991 [M+NH4]+ 3.429 0 0 2822 3374 3025 3419 3801 3617 14079 12951 10775 1 C51H92O15 DGDG 18:0-18:2 962.67755 [M+NH4]+ 4.486 6 10 8195 8589 6991 29085 32475 31748 42032 37667 42834 0 C51H90O15 DGDG 18:0-18:3 960.66254 [M+NH4]+ 4.255 15 19 35135 34947 35861 136188 136884 128177 73769 71088 71642 6 C51H88O15 DGDG 18:1-18:3 958.64703 [M+NH4]+ 3.942 6 9 26947 26365 26702 46014 44056 54713 39596 37608 36620 4 C51H86O15 DGDG 18:2-18:3 956.6319 [M+NH4]+ 3.747 6 15 99489 115029 97665 123542 101084 107215 102667 88340 83940 11 C51H84O15 DGDG 18:3-18:3 954.61676 [M+NH4]+ 3.575 5 107 447660 446351 429044 905080 844809 917861 644599 658071 658830 62 C55H100O15 DGDG 22:0-18:2 1018.73883 [M+NH4]+ 5.365 0 10 91 35 79 1902 2453 2626 3114 4186 3787 0 C57H104O15 DGDG 24:0-18:2 1046.77246 [M+NH4]+ 5.835 15 5 402 214 510 5855 5928 5772 10714 10059 9947 5 C40H77NO10 HexCer-AP t18:1/16:0+O 732.56281 [M+H]+ 3.713 0 5 44172 45119 43105 192 20 77 1957 1799 2431 5 C44H85NO10 HexCer-AP t18:1/20:0+O 788.62256 [M+H]+ 4.427 12 9 4196 3960 4118 31706 32227 32232 0 646 586 5 C46H89NO10 HexCer-AP t18:1/22:0+O 816.65674 [M+H]+ 4.868 0 10 32236 33689 31613 64011 65600 64892 34589 34106 33276 5 C47H91NO10 HexCer-AP t18:1/23:0+O 830.66931 [M+H]+ 5.077 22 6 5250 4923 5228 6671 7172 7143 9350 9443 8069 6 C48H93NO10 HexCer-AP t18:1/24:0+O 844.68762 [M+H]+ 5.336 12 16 55745 54769 57095 70014 73657 71852 35385 35394 31940 0 C48H91NO10 HexCer-AP t18:1/24:1+O 842.67065 [M+H]+ 4.882 7 11 101517 104649 93276 686 917 1062 315 331 0 0 C49H95NO10 HexCer-AP t18:1/25:0+O 858.70386 [M+H]+ 5.549 24 4 4998 4980 5419 2403 2207 2229 10366 10317 9254 0 C49H93NO10 HexCer-AP t18:1/25:1+O 856.68842 [M+H]+ 5.087 6 5 6447 5225 6043 253 336 155 13 124 77 16 C50H97NO10 HexCer-AP t18:1/26:0+O 872.7179 [M+H]+ 5.809 5 7 52043 47154 49632 19573 20507 19325 18639 17501 17363 5 C50H95NO10 HexCer-AP t18:1/26:1+O 870.70282 [M+H]+ 5.34 6 14 11557 11217 12212 188 563 69 7 47 54 9 C52H101NO10 HexCer-AP t18:1/28:0+O 900.74896 [M+H]+ 6.283 9 5 9886 9134 9842 591 972 512 2652 2317 1938 0 C44H83NO9 HexCer-HS d18:2/20:0+O 770.61267 [M+H]+ 4.566 21 27 10 5 89 111540 113162 112098 19 504 605 10 C45H85NO9 HexCer-HS d18:2/21:0+O 784.62476 [M+H]+ 4.781 0 8 0 0 0 5562 6537 6910 0 778 0 5 C46H87NO9 HexCer-HS d18:2/22:0+O 798.64575 [M+H]+ 5.022 28 6 147 191 348 69461 69254 72889 9555 9197 9718 0 C48H91NO9 HexCer-HS d18:2/24:0+O 826.67413 [M+H]+ 5.489 48 7 1449 404 832 14733 18254 18185 24733 22183 21270 0 C24H50NO7P LPC 16:0-SN1 496.33936 [M+H]+ 1.861 16 12 12110 11270 11438 9308 9148 9491 10677 9791 10535 13 C26H52NO7P LPC 18:1 522.35492 [M+H]+ 1.892 0 19 885 964 782 1872 1890 1397 53929 48860 52639 0 C26H50NO7P LPC 18:2 520.33936 [M+H]+ 1.561 17 41 6466 6540 7043 6143 6061 6080 238082 234769 218652 14 C26H48NO7P LPC 18:3 518.32385 [M+H]+ 1.261 7 14 2914 2364 3065 1943 1887 1897 52801 50387 48803 32 C23H44NO7P LPE 18:2 478.29248 [M+H]+ 1.613 5 7 942 1244 1065 535 706 586 20246 19407 19059 8 C21H36O4 MAG 18:3 370.29608 [M+NH4]+ 1.988 21 12 27925 29166 27601 14215 15633 16009 2641 2771 2569 36 C41H70O10 MGDG 16:1-16:3 740.51984 [M+NH4]+ 3.636 6 0 15610 14930 14790 4933 5156 4360 12999 12833 11895 6 C41H68O10 MGDG 16:2-16:3 738.51508 [M+NH4]+ 3.461 6 4 12471 15992 12648 723 281 251 24418 22098 19923 0 C41H66O10 MGDG 16:3-16:3 736.49695 [M+NH4]+ 3.264 5 0 14225 15500 15398 200 260 167 12501 13147 12640 18 C43H80O10 MGDG 16:0-18:1 774.60822 [M+NH4]+ 4.704 6 5 37758 41572 39625 29088 29274 28512 62590 60561 57551 6 C43H76O10 MGDG 16:0-18:3 770.57611 [M+NH4]+ 4.196 26 5 123785 123069 114273 124621 144043 132173 139290 136447 133793 5 C43H74O10 MGDG 16:1-18:3 768.56207 [M+NH4]+ 3.937 0 0 74316 71990 71613 9043 8678 9549 87220 87318 82792 23 C43H72O10 MGDG 16:2-18:3 766.54779 [M+NH4]+ 3.737 18 28 242918 257570 257601 5355 4694 5248 260375 240846 248206 4 C43H70O10 MGDG 16:3-18:3 764.53302 [M+NH4]+ 3.553 118 111 1537517 1639085 1445174 8940 5918 3364 1163708 1192015 1180604 187 C45H82O10 MGDG 18:0-18:2 800.62439 [M+NH4]+ 4.837 19 5 4082 4142 4496 14096 14911 14587 66296 63792 63769 4 C45H80O10 MGDG 18:1-18:2 798.60364 [M+NH4]+ 4.273 12 15 13028 13282 12863 26633 25368 25014 52165 50887 49368 9 C45H80O10 MGDG 18:1-18:2 798.60962 [M+NH4]+ 4.542 16 6 17121 16811 16335 43311 43736 43578 84385 80868 80326 17 C45H78O10 MGDG 18:1-18:3 796.59253 [M+NH4]+ 4.247 15 59 82762 81392 79906 169384 172021 166303 252253 247156 243290 13 C45H76O10 MGDG 18:2-18:3 794.57666 [M+NH4]+ 4.022 71 61 293982 297295 282075 359060 348200 372689 601610 590823 567115 77 C45H74O10 MGDG 18:3-18:3 792.56458 [M+NH4]+ 3.823 539 587 1301094 1218786 1263575 1787540 1754232 1885532 1945615 1971841 1925153 387 C45H72O10 MGDG 18:3-18:4 790.54608 [M+NH4]+ 3.709 0 0 2339 1311 2574 16758 11804 18765 8439 7488 7854 8 C51H94O10 MGDG 24:0-18:2 884.7171 [M+NH4]+ 6.277 13 52 352 322 186 3263 5325 5550 24337 23496 22527 4 C53H98O10 MGDG 26:0-18:2 912.74561 [M+NH4]+ 6.765 8 9 463 310 408 1407 1346 1528 9492 9017 8746 0 C28H56NO8P PC 10:0-10:0 566.38153 [M+H]+ 2.143 294088 365999 386630 390319 380924 321714 326421 332206 397571 383074 371372 48 C40H80NO8P PC 16:0-16:0 734.56897 [M+H]+ 4.34 6 6 20111 17881 19131 24671 27154 25802 45381 43629 43063 6 C40H74NO8P PC 32:3 728.52142 [M+H]+ 3.639 16 1 36006 35952 38793 15538 15894 15476 31534 31220 30267 0 C40H74NO8P PC 16:0-16:3 728.52173 [M+H]+ 3.678 25 15 36932 35952 38793 15139 15894 15476 31534 31220 30267 0 C41H78NO8P PC 15:0-18:2 744.55371 [M+H]+ 3.978 15 6 16430 15928 16061 36336 33856 37294 22892 22860 22787 26 C41H76NO8P PC 15:0-18:3 742.53857 [M+H]+ 3.783 4 0 22690 19482 21638 28539 27908 28126 13062 12769 12535 0 C42H82NO8P PC 16:0-18:1 760.58411 [M+H]+ 4.411 93 64 235232 241386 242117 411758 413773 432050 1072849 1058789 1020954 53 C42H80NO8P PC 16:0-18:2 758.57147 [M+H]+ 4.158 315 225 1756570 1762873 1722103 1311564 1300781 1323048 2250886 2171252 2129990 533 C42H78NO8P PC 16:0-18:3 756.55432 [M+H]+ 3.942 133 133 1772780 1698235 1722383 895331 900285 972888 981580 958522 938989 159 C42H76NO8P PC 16:1-18:3 754.53864 [M+H]+ 3.717 53 19 60465 61243 60458 11935 12974 13214 38483 37228 35926 5 C42H74NO8P PC 18:2-16:3 752.52197 [M+H]+ 3.513 8 0 17697 16209 20340 472 219 560 16370 14609 14321 0 C42H72NO8P PC 16:3-18:3 750.50714 [M+H]+ 3.33 6 5 56681 54360 51732 55 139 357 14241 13791 14352 18 C42H72NO8P PC 16:3-18:3 750.51495 [M+H]+ 3.391 0 10 39651 41542 37821 100 60 70 16941 15412 14392 18 C43H82NO8P PC 17:0-18:2 772.57379 [M+H]+ 4.123 7 0 10797 10042 7078 4840 11334 2795 10291 4791 6024 0 C43H82NO8P PC 17:0-18:2 772.58508 [M+H]+ 4.392 9 18 98653 98372 102626 85849 86077 88378 180109 173514 173982 25 C44H86NO8P PC 18:0-18:1 788.60669 [M+H]+ 4.59 6 7 28898 30318 29715 21868 21137 20767 122586 120722 117484 5 C44H86NO8P PC 18:0-18:1 788.61633 [M+H]+ 4.857 10 11 27004 27230 26516 34620 35050 35182 248151 243218 234523 14 C44H84NO8P PC 18:1-18:1 786.60046 [M+H]+ 4.565 33 56 216508 218769 207167 157710 159519 160040 959433 947674 930892 38 C44H82NO8P PC 18:1-18:2 784.58417 [M+H]+ 4.263 18 35 551057 523814 549752 368574 378525 371831 992906 959396 951934 23 C44H82NO8P PC 18:1-18:2 784.58429 [M+H]+ 4.298 29 25 551057 523814 549752 316541 378525 371831 992906 959396 951934 48 C44H80NO8P PC 18:2-18:2 782.57202 [M+H]+ 3.978 31 86 891669 854082 892660 671053 629762 688338 1466045 1497443 1493144 132 C44H78NO8P PC 18:2-18:3 780.55438 [M+H]+ 3.773 28 95 1369836 1299818 1271777 467627 438058 434421 785778 731233 724934 156 C44H76NO8P PC 18:3-18:3 778.53766 [M+H]+ 3.615 13 7 878965 878610 860386 224648 226133 232599 176221 175315 174865 10 C45H88NO8P PC 37:1 802.62946 [M+H]+ 5.025 10 18 0 91 117 342 279 810 12124 11879 12445 4 C45H88NO8P PC 37:1 802.63544 [M+H]+ 5.072 5 13 172 98 387 784 1015 1542 12596 12414 12445 5 C46H88NO8P PC 20:0-18:2 814.63202 [M+H]+ 5.021 16 18 8253 8702 8870 9498 9455 9601 123379 118511 115751 5 C46H86NO8P PC 20:1-18:2 812.617 [M+H]+ 4.639 5 7 14816 15101 14751 14515 14391 14763 64986 62370 60017 13 C46H84NO8P PC 18:2-20:2 810.60022 [M+H]+ 4.344 9 5 28509 27862 30187 13823 14557 13426 67797 67582 65158 15 C48H94NO8P PC 22:0-18:1 844.67969 [M+H]+ 5.84 13 18 1180 97 486 3084 3462 5147 19710 18718 18547 4 C48H92NO8P PC 22:0-18:2 842.66107 [M+H]+ 5.514 7 34 3422 594 3384 2636 5069 2473 81487 80047 74621 12 C48H90NO8P PC 40:3 840.65039 [M+H]+ 5.204 8 34 920 1369 1256 612 302 347 7271 7187 6939 9 C49H94NO8P PC 23:0-18:2 856.67957 [M+H]+ 5.766 4 6 0 0 2301 7236 7060 7534 35842 35678 33184 15 C50H96NO8P PC 24:0-18:2 870.69495 [M+H]+ 6.028 7 51 3439 2795 3016 12356 12265 13060 92104 89723 84540 12 C50H94NO8P PC 24:0-18:3 868.67627 [M+H]+ 5.754 9 6 5218 5306 4698 5082 5310 5357 20463 18500 17865 20 C52H100NO8P PC 26:0-18:2 898.72998 [M+H]+ 6.557 7 0 89 17 175 2752 2606 2415 19168 16258 15774 14 C39H74NO8P PE 16:0-18:2 716.52222 [M+H]+ 4.231 153 141 430779 419907 422816 208357 213211 206789 358022 338086 328003 165 C39H72NO8P PE 16:0-18:3 714.50623 [M+H]+ 4.014 157 126 288499 298525 278640 78527 80223 81197 84744 78340 74127 188 C41H78NO8P PE 18:0-18:2 744.5531 [M+H]+ 4.627 18 30 36290 36318 38200 9346 9858 10109 105265 105014 100334 29 C41H76NO8P PE 18:0-18:3 742.53845 [M+H]+ 4.362 0 14 83771 82796 82810 21424 22351 20561 65746 65067 63221 13 C41H76NO8P PE 18:0-18:3 742.53876 [M+H]+ 4.33 0 10 83771 82796 82810 21424 22351 20561 65746 65067 63221 5 C41H74NO8P PE 18:2-18:2 740.52563 [M+H]+ 4.053 56 37 173946 179555 172412 100559 96621 107429 267538 303580 289079 28 C41H72NO8P PE 18:2-18:3 738.5069 [M+H]+ 3.836 21 32 136993 123878 136683 20615 22864 24874 46448 45775 44815 0 C41H70NO8P PE 18:3-18:3 736.49188 [M+H]+ 3.65 0 11 73090 75688 70697 11787 11578 13568 15617 15277 14532 0 C43H82NO8P PE 20:0-18:2 772.58527 [M+H]+ 5.063 8 9 10936 10643 11622 3202 1917 3100 50207 51585 48965 32 C43H80NO8P PE 20:0-18:3 770.56879 [M+H]+ 4.795 0 35 3472 3886 4133 753 804 1159 16574 15070 15274 4 C43H80NO8P PE 20:1-18:2 770.57318 [M+H]+ 4.669 5 10 663 2693 1871 3767 3772 3516 11430 11128 10518 9 C44H74NO8P PE 17:2-22:5 776.50598 [M+H]+ 2.961 0 5 6517 6668 6475 474 493 0 1343 1458 1415 6 C45H86NO8P PE 22:0-18:2 800.6156 [M+H]+ 5.549 36 13 19100 19901 18675 4621 3615 4693 40473 40238 36252 17 C46H88NO8P PE 23:0-18:2 814.63019 [M+H]+ 5.785 5 16 3096 3278 2667 7155 7108 7035 11721 11893 11603 6 C47H90NO8P PE 21:1-21:1 828.64905 [M+H]+ 6.04 6 19 32805 31749 31331 12649 12931 12426 48828 46909 45022 15 C47H88NO8P PE 24:0-18:3 826.63177 [M+H]+ 5.763 14 18 13054 12757 12242 6796 6652 6243 8464 7332 7516 5 C47H88NO8P PE 24:1-18:2 826.63428 [M+H]+ 5.549 4 5 10767 10407 11251 24 12 0 54 0 62 5 C49H94NO8P PE 26:0-18:2 856.68073 [M+H]+ 6.532 6 6 2689 2734 2639 1710 1844 1925 8365 8654 8319 20 C38H73O10P PG 16:0-16:1 738.52686 [M+NH4]+ 3.904 10 9 30058 30980 25664 74746 70530 69589 60980 57786 55906 8 C40H77O10P PG 16:0-18:1 766.55933 [M+NH4]+ 4.065 22 9 41217 37374 39806 14673 15319 14904 44449 42622 44360 11 C40H75O10P PG 16:0-18:2 764.54303 [M+NH4]+ 3.87 24 30 71102 70772 68877 34036 33249 34269 120721 111725 105702 42 C40H73O10P PG 16:0-18:3 762.52777 [M+NH4]+ 3.692 0 16 161546 154350 162961 84581 80890 77957 182045 176083 174814 4 C40H73O10P PG 16:1-18:2 762.52954 [M+NH4]+ 3.744 10 38 153028 132332 147558 78039 80890 65424 197888 184284 172880 26 C40H71O10P PG 16:1-18:3 760.51208 [M+NH4]+ 3.611 9 14 138412 141004 134150 140240 143355 147491 111889 101575 104132 26 C42H69O10P PG 18:3-18:4 782.49817 [M+NH4]+ 3.301 0 4 1192 1183 1336 10344 10316 11055 1027 667 739 0 C18H39NO3 Phytosphingosine 18:0 318.3009 [M+H]+ 1.463 11 10 6264 6063 6003 9834 10376 10229 12568 12839 12358 6 C43H79O13P PI 34:2 852.56232 [M+NH4]+ 3.76 9 13 24817 23971 22671 23629 23780 25339 34640 30657 29463 8 C48H80O2 SISE 19:3 706.65051 [M+NH4]+ 7.905 8 5 8902 9068 7999 1129 1748 1725 4857 4411 3777 5 C41H78O12S SQDG 16:0-16:0 812.55731 [M+NH4]+ 3.87 7 0 4170 3717 3957 32075 37431 34245 35440 32541 30149 4 C43H78O12S SQDG 16:0-18:2 836.55658 [M+NH4]+ 3.722 2 0 26718 26767 25855 17709 14700 19809 62108 71541 70645 0 C43H76O12S SQDG 16:0-18:3 834.54059 [M+NH4]+ 3.572 34 20 28923 28038 26216 89886 86528 91602 58374 60396 59987 22 C45H76O12S SQDG 18:2-18:3 858.54053 [M+NH4]+ 3.432 0 0 18289 18588 18285 25452 29418 27171 32237 33106 31635 9 C45H74O12S SQDG 18:3-18:3 856.52454 [M+NH4]+ 3.264 38 15 33336 40144 34308 64239 65535 62796 50005 46677 45627 6 C35H58O6 STSHex 592.45715 [M+NH4]+ 3.206 0 0 7993 8489 8484 5776 4527 5110 14014 14167 13699 0 C51H96O6 TAG 14:0-16:0-18:1 822.76031 [M+NH4]+ 8.493 123 8824 924 531 239 1143 1435 1525 5303 5356 5441 405 C53H100O6 TAG 16:0-16:0-18:1 850.78394 [M+NH4]+ 8.936 59 5328 11462 11798 12402 9930 9983 10272 9328 9576 8597 508 C53H98O6 TAG 16:0-16:0-18:2 848.75647 [M+NH4]+ 8.693 7 317 43 1079 1366 998 2229 1088 1590 1558 1404 44 C53H98O6 TAG 16:0-16:0-18:2 848.76624 [M+NH4]+ 8.577 31 3445 51772 50565 54090 38506 40076 41745 27222 24923 24583 140 C53H96O6 TAG 16:0-16:0-18:3 846.75275 [M+NH4]+ 8.287 66 1555 23736 21720 22582 23797 25903 25197 10016 10242 10041 79 C53H94O6 TAG 14:0-18:2-18:2 844.73657 [M+NH4]+ 7.926 4 86 5741 5294 5939 8320 7887 8084 1590 1383 1381 14 C53H92O6 TAG 14:0-18:2-18:3 842.72321 [M+NH4]+ 7.652 24 17 6882 7274 7276 9502 9151 9323 2563 2597 3370 22 C53H90O6 TAG 14:0-18:3-18:3 840.70496 [M+NH4]+ 7.357 0 5 6093 6126 6093 8776 7917 8462 1652 1605 1797 24 C54H94O6 TAG 15:0-18:2-18:3 856.74426 [M+NH4]+ 7.84 9 38 1957 2322 2739 8326 7488 7640 1219 707 1444 15 C54H92O6 TAG 15:0-18:3-18:3 854.72467 [M+NH4]+ 7.567 7 13 1463 1164 1390 8987 8884 8673 808 197 712 24 C55H104O6 TAG 16:0-18:0-18:1 878.81628 [M+NH4]+ 9.414 30 648 12094 11136 11637 2701 2056 2826 3718 3678 3141 66 C55H102O6 TAG 16:0-18:0-18:2 876.79987 [M+NH4]+ 9.04 32 1804 54109 54930 55441 10466 10909 10421 14542 13150 12743 150 C55H100O6 TAG 16:0-18:1-18:2 874.7865 [M+NH4]+ 8.652 83 894 81473 80168 81741 54023 53878 55077 24024 22837 22386 57 C55H98O6 TAG 16:0-18:1-18:3 872.76379 [M+NH4]+ 8.04 19 12 20719 18805 21038 28428 31456 31430 11740 11064 11122 5 C55H98O6 TAG 16:0-18:2-18:2 872.77307 [M+NH4]+ 8.328 10 252 153304 146252 142682 153492 152335 151495 73846 72502 71476 57 C55H96O6 TAG 16:0-18:2-18:3 870.7547 [M+NH4]+ 8.033 23 65 107743 96873 107483 149219 165126 167227 60973 60420 58187 29 C55H94O6 TAG 16:0-18:3-18:3 868.73987 [M+NH4]+ 7.757 22 74 72547 65506 63015 215682 209918 208704 30134 29172 27367 26 C55H92O6 TAG 16:2-18:2-18:3 866.72217 [M+NH4]+ 7.434 5 23 10870 10358 10840 6623 6370 7390 5717 4943 5563 8 C55H90O6 TAG 18:2-16:3-18:3 864.70819 [M+NH4]+ 7.152 10 6 5003 5814 5242 995 679 575 2784 2720 1990 7 C56H98O6 TAG 17:0-18:2-18:3 884.7688 [M+NH4]+ 8.244 6 34 1381 1624 1107 9763 9885 9734 4452 4077 3956 5 C56H96O6 TAG 17:0-18:3-18:3 882.75677 [M+NH4]+ 7.957 24 22 877 442 468 7726 8778 8057 426 357 467 7 C57H106O6 TAG 16:0-18:1-20:1 904.8338 [M+NH4]+ 9.464 36 286 70191 67678 69515 1320 1589 1414 3127 3053 2938 18 C57H104O6 TAG 16:0-20:1-18:2 902.81494 [M+NH4]+ 9.095 63 509 155683 155677 162568 9473 9319 9273 8530 7597 7767 81 C57H102O6 TAG 18:1-18:1-18:2 900.80237 [M+NH4]+ 8.766 17 139 154225 150800 154898 25217 24556 25072 22522 20797 21673 31 C57H100O6 TAG 18:1-18:2-18:2 898.78918 [M+NH4]+ 8.393 25 163 145152 140962 137994 67161 67166 66136 27118 24969 23590 9 C57H98O6 TAG 18:1-18:2-18:3 896.7702 [M+NH4]+ 8.083 5 221 128788 122416 123494 134022 137722 134901 51183 49436 48204 17 C57H96O6 TAG 18:2-18:2-18:3 894.75244 [M+NH4]+ 7.791 57 95 133158 129527 117881 188969 189883 192075 76749 69661 74351 59 C57H94O6 TAG 18:2-18:3-18:3 892.72931 [M+NH4]+ 7.266 50 14 10415 11645 10491 39609 39133 39271 4008 3624 3791 11 C57H94O6 TAG 18:2-18:3-18:3 892.73792 [M+NH4]+ 7.518 40 59 117456 116219 112634 265493 268822 273058 62085 62129 60932 60 C57H92O6 TAG 18:3-18:3-18:3 890.72211 [M+NH4]+ 7.254 80 27 50159 55903 51126 193849 204347 194186 21431 19579 18580 21 C59H110O6 TAG 18:0-18:1-20:1 932.86157 [M+NH4]+ 9.951 4 99 21046 21732 22006 186 336 72 814 771 439 4 C59H108O6 TAG 18:1-18:1-20:1 930.84448 [M+NH4]+ 9.503 6 73 106403 79180 105355 717 163 327 633 636 652 30 C59H108O6 TAG 20:0-18:1-18:2 930.84247 [M+NH4]+ 9.124 6 25 11242 30647 30650 776 627 322 436 156 376 12 C59H106O6 TAG 18:1-20:1-18:2 928.83252 [M+NH4]+ 9.167 9 33 124590 125923 129758 2439 2183 2030 1277 1476 1165 19 C59H104O6 TAG 20:1-18:2-18:2 926.81665 [M+NH4]+ 8.813 24 37 321555 330307 331777 6642 6556 5943 2044 1598 1836 18 C59H102O6 TAG 20:0-18:3-18:3 924.802 [M+NH4]+ 8.283 6 91 3934 7984 5527 6271 5359 6043 27 87 104 15 C59H102O6 TAG 20:1-18:2-18:3 924.80133 [M+NH4]+ 8.495 19 21 193715 193429 188460 8163 7119 7649 2028 2294 2261 20 C59H100O6 TAG 20:1-18:3-18:3 922.78729 [M+NH4]+ 8.192 18 5 77477 74878 78625 4998 4814 4941 1890 1396 1706 5 C59H98O6 TAG 18:2-18:3-20:3 920.77161 [M+NH4]+ 7.898 5 16 9333 9632 9327 2733 2395 2497 814 886 4 6 C61H112O6 TAG 18:1-20:1-20:1 958.87659 [M+NH4]+ 9.988 7 16 34246 35051 33804 138 81 185 316 215 143 4 C61H110O6 TAG 20:1-20:1-18:2 956.86865 [M+NH4]+ 9.599 9 9 75413 77369 73932 608 117 255 70 25 39 0 C61H108O6 TAG 20:1-18:2-20:2 954.84875 [M+NH4]+ 9.265 9 20 68225 69527 71069 891 754 663 92 38 51 6 C61H106O6 TAG 22:1-18:2-18:3 952.83331 [M+NH4]+ 8.916 8 22 57490 57984 61396 316 564 417 99 131 115 7 C61H104O6 TAG 22:1-18:3-18:3 950.82135 [M+NH4]+ 8.605 13 51 12285 15289 15296 353 88 235 154 100 80 23 C63H114O6 TAG 20:1-22:1-18:2 984.89319 [M+NH4]+ 10.065 0 8 16058 15172 16279 123 46 37 21 44 22 9 C63H112O6 TAG 22:1-18:2-20:2 982.87665 [M+NH4]+ 9.727 0 8 16947 16554 16434 198 82 53 27 10 15 4 C63H110O6 TAG 24:1-18:2-18:3 980.86426 [M+NH4]+ 9.384 9 6 9888 9564 9929 84 136 87 13 58 95 4